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 2w55_1_C DATA FIRST_RESID 1 DATA SEQUENCE MEIAFLLNGE TRRVRIEDPT QSLLEWLRAE GLTGTKEGCN EGDCGACTVM DATA SEQUENCE IRDAAGSRAV NACLMMLPQI AGKALRTIEG IAAPDGRLHP VQQAMIDHHG DATA SEQUENCE SQCGFCTPGF IVSMAAAHDR DRKDYDDLLA GNLCRCTGYA PILRAAEAAA DATA SEQUENCE GEPPADWLQA DAAFTLXXXX XXXXXXXXPA FLPETSDALA DWYLAHPEAT DATA SEQUENCE LIAGGTDVSL WVTKALRDLP EVAFLSHCKD LAQIRETPDG YGIGAGVTIA DATA SEQUENCE ALRAFAEGPH PALAGLLRRF ASEQVRQVAT IGGNIANGSP IGDGPPALIA DATA SEQUENCE MGASLTLRRG QERRRMPLED FFLEYRKQDR RPGEFVESVT LPKSAPGLRC DATA SEQUENCE YKLSKRFDQD ISAVCGCLNL TLKGSKIETA RIAFGGMAGV PKRAAAFEAA DATA SEQUENCE LIGQDFREDT IAAALPLLAQ DFTPLSDMRA SAAYRMNAAQ AMALRYVREL DATA SEQUENCE SGEAVAVLEV MP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.297 176.300 -0.005 0.000 1.140 1 M CA 0.000 55.301 55.300 0.001 0.000 0.988 1 M CB 0.000 32.599 32.600 -0.001 0.000 1.302 2 E N 6.247 126.439 120.200 -0.013 0.000 2.402 2 E HA 0.435 4.785 4.350 0.000 0.000 0.244 2 E C -1.056 175.533 176.600 -0.019 0.000 0.945 2 E CA -0.561 55.834 56.400 -0.010 0.000 0.774 2 E CB 0.977 30.677 29.700 -0.001 0.000 1.296 2 E HN 0.711 nan 8.360 nan 0.000 0.414 3 I N 0.419 120.975 120.570 -0.022 0.000 2.945 3 I HA 0.713 4.883 4.170 0.000 0.000 0.292 3 I C -0.303 175.844 176.117 0.049 0.000 1.093 3 I CA -0.484 60.811 61.300 -0.008 0.000 1.336 3 I CB 1.428 39.405 38.000 -0.039 0.000 1.435 3 I HN 0.359 nan 8.210 nan 0.000 0.593 4 A N 4.308 127.185 122.820 0.094 0.000 2.393 4 A HA 0.850 5.170 4.320 0.000 0.000 0.306 4 A C -0.954 176.791 177.584 0.268 0.000 1.050 4 A CA -0.495 51.607 52.037 0.109 0.000 0.724 4 A CB 0.974 20.025 19.000 0.085 0.000 1.248 4 A HN 0.877 nan 8.150 nan 0.000 0.424 5 F N 0.214 120.179 119.950 0.026 0.000 2.654 5 F HA 0.722 5.248 4.527 -0.001 0.000 0.308 5 F C -1.470 174.161 175.800 -0.282 0.000 1.108 5 F CA -1.311 56.615 58.000 -0.123 0.000 0.957 5 F CB 1.239 40.130 39.000 -0.182 0.000 1.309 5 F HN 0.426 nan 8.300 nan 0.000 0.446 6 L N 3.504 124.352 121.223 -0.626 0.000 2.281 6 L HA 0.541 4.881 4.340 0.000 0.000 0.285 6 L C -0.986 175.791 176.870 -0.154 0.000 1.074 6 L CA -0.454 54.048 54.840 -0.564 0.000 0.817 6 L CB 0.985 42.475 42.059 -0.949 0.000 1.168 6 L HN 0.748 nan 8.230 nan 0.000 0.434 7 L N 6.016 127.183 121.223 -0.093 0.000 2.276 7 L HA 0.460 4.800 4.340 0.000 0.000 0.286 7 L C 0.219 177.118 176.870 0.048 0.000 1.024 7 L CA 0.047 54.937 54.840 0.083 0.000 0.826 7 L CB 0.476 42.631 42.059 0.160 0.000 1.211 7 L HN 0.751 nan 8.230 nan 0.000 0.422 8 N N 4.283 123.021 118.700 0.064 0.000 2.696 8 N HA -0.245 4.495 4.740 0.000 0.000 0.249 8 N C 0.932 176.476 175.510 0.058 0.000 1.090 8 N CA 1.174 54.265 53.050 0.067 0.000 0.716 8 N CB -1.241 37.286 38.487 0.068 0.000 1.020 8 N HN 1.209 nan 8.380 nan 0.000 0.548 9 G N -0.911 107.907 108.800 0.029 0.000 2.175 9 G HA2 -0.296 3.664 3.960 0.000 0.000 0.244 9 G HA3 -0.296 3.664 3.960 0.000 0.000 0.244 9 G C -0.253 174.660 174.900 0.021 0.000 0.982 9 G CA 0.452 45.573 45.100 0.035 0.000 0.641 9 G HN 0.521 nan 8.290 nan 0.000 0.527 10 E N 1.614 121.812 120.200 -0.004 0.000 2.166 10 E HA 0.454 4.804 4.350 0.000 0.000 0.275 10 E C 0.364 176.931 176.600 -0.055 0.000 0.941 10 E CA -0.052 56.342 56.400 -0.011 0.000 0.784 10 E CB 1.006 30.701 29.700 -0.008 0.000 1.115 10 E HN 0.338 nan 8.360 nan 0.000 0.399 11 T N 1.518 116.067 114.554 -0.009 0.000 2.853 11 T HA 0.327 4.678 4.350 0.000 0.000 0.298 11 T C 0.072 174.709 174.700 -0.105 0.000 0.978 11 T CA -0.561 61.537 62.100 -0.004 0.000 1.152 11 T CB 0.746 69.674 68.868 0.100 0.000 0.914 11 T HN 0.299 nan 8.240 nan 0.000 0.539 12 R N 1.727 122.068 120.500 -0.265 0.000 2.574 12 R HA 0.457 4.797 4.340 0.000 0.000 0.288 12 R C -1.054 174.997 176.300 -0.416 0.000 1.004 12 R CA -0.680 55.208 56.100 -0.352 0.000 0.895 12 R CB 1.375 31.390 30.300 -0.475 0.000 1.191 12 R HN 0.682 nan 8.270 nan 0.000 0.444 13 R N 2.980 123.365 120.500 -0.191 0.000 2.514 13 R HA 0.611 4.951 4.340 0.000 0.000 0.301 13 R C -0.950 175.330 176.300 -0.033 0.000 0.962 13 R CA -1.021 55.017 56.100 -0.103 0.000 0.882 13 R CB 2.101 32.379 30.300 -0.037 0.000 1.143 13 R HN 0.351 nan 8.270 nan 0.000 0.452 14 V N 2.648 122.566 119.914 0.007 0.000 2.656 14 V HA 0.417 4.537 4.120 0.000 0.000 0.307 14 V C -0.038 176.077 176.094 0.034 0.000 1.051 14 V CA -1.066 61.269 62.300 0.059 0.000 0.893 14 V CB 2.057 33.892 31.823 0.020 0.000 0.999 14 V HN 0.664 nan 8.190 nan 0.000 0.426 15 R N 4.413 124.947 120.500 0.056 0.000 2.210 15 R HA 0.404 4.744 4.340 0.000 0.000 0.338 15 R C -0.602 175.720 176.300 0.036 0.000 1.062 15 R CA -0.529 55.594 56.100 0.039 0.000 0.902 15 R CB 0.316 30.643 30.300 0.045 0.000 1.050 15 R HN 0.611 nan 8.270 nan 0.000 0.461 16 I N 5.046 125.621 120.570 0.009 0.000 2.436 16 I HA 0.030 4.200 4.170 0.000 0.000 0.289 16 I C 0.635 176.770 176.117 0.030 0.000 1.083 16 I CA 0.594 61.896 61.300 0.004 0.000 1.372 16 I CB 1.103 39.087 38.000 -0.026 0.000 1.408 16 I HN 0.858 nan 8.210 nan 0.000 0.516 17 E N 2.595 122.822 120.200 0.046 0.000 2.541 17 E HA 0.044 4.394 4.350 0.000 0.000 0.219 17 E C -0.390 176.246 176.600 0.060 0.000 0.922 17 E CA 0.055 56.487 56.400 0.053 0.000 1.095 17 E CB 0.854 30.587 29.700 0.056 0.000 1.112 17 E HN 0.536 nan 8.360 nan 0.000 0.516 18 D N 0.822 121.260 120.400 0.063 0.000 2.469 18 D HA 0.115 4.756 4.640 0.000 0.000 0.251 18 D C -1.844 174.499 176.300 0.073 0.000 1.173 18 D CA -2.263 51.780 54.000 0.072 0.000 0.882 18 D CB 1.668 42.514 40.800 0.076 0.000 1.129 18 D HN -0.212 nan 8.370 nan 0.000 0.549 19 P HA -0.059 nan 4.420 nan 0.000 0.220 19 P C 1.254 178.663 177.300 0.181 0.000 1.152 19 P CA 0.649 63.840 63.100 0.152 0.000 0.812 19 P CB 0.360 32.206 31.700 0.244 0.000 0.792 20 T N -1.072 113.572 114.554 0.150 0.000 3.085 20 T HA -0.037 4.314 4.350 0.000 0.000 0.263 20 T C 0.983 175.739 174.700 0.094 0.000 1.127 20 T CA 0.095 62.279 62.100 0.139 0.000 1.103 20 T CB -0.483 68.451 68.868 0.110 0.000 0.921 20 T HN 0.094 nan 8.240 nan 0.000 0.510 21 Q N 2.367 122.212 119.800 0.076 0.000 2.311 21 Q HA 0.132 4.473 4.340 0.000 0.000 0.272 21 Q C -0.022 176.002 176.000 0.041 0.000 1.012 21 Q CA -0.171 55.672 55.803 0.067 0.000 0.891 21 Q CB 0.653 29.442 28.738 0.085 0.000 1.201 21 Q HN 0.496 nan 8.270 nan 0.000 0.391 22 S N 2.923 118.653 115.700 0.050 0.000 2.652 22 S HA 0.118 4.589 4.470 0.000 0.000 0.270 22 S C 0.934 175.564 174.600 0.049 0.000 1.243 22 S CA -0.858 57.357 58.200 0.025 0.000 0.999 22 S CB 0.986 64.201 63.200 0.026 0.000 0.973 22 S HN 0.718 nan 8.310 nan 0.000 0.544 23 L N 1.380 122.606 121.223 0.005 0.000 2.079 23 L HA 0.024 4.364 4.340 0.000 0.000 0.210 23 L C 2.192 179.137 176.870 0.125 0.000 1.081 23 L CA 1.461 56.326 54.840 0.042 0.000 0.752 23 L CB -1.033 40.997 42.059 -0.049 0.000 0.896 23 L HN 0.915 nan 8.230 nan 0.000 0.433 24 L N -0.910 120.355 121.223 0.070 0.000 2.012 24 L HA -0.224 4.116 4.340 0.000 0.000 0.210 24 L C 2.553 179.470 176.870 0.079 0.000 1.073 24 L CA 1.514 56.391 54.840 0.061 0.000 0.748 24 L CB -0.346 41.736 42.059 0.037 0.000 0.891 24 L HN 0.362 nan 8.230 nan 0.000 0.431 25 E N -0.970 119.287 120.200 0.096 0.000 2.110 25 E HA -0.291 4.059 4.350 0.000 0.000 0.193 25 E C 1.740 178.418 176.600 0.130 0.000 0.988 25 E CA 1.711 58.170 56.400 0.099 0.000 0.804 25 E CB -0.348 29.415 29.700 0.104 0.000 0.745 25 E HN 0.667 nan 8.360 nan 0.000 0.458 26 W N 1.275 122.575 121.300 -0.001 0.000 2.443 26 W HA 0.011 4.675 4.660 0.007 0.000 0.296 26 W C 1.982 178.513 176.519 0.020 0.000 1.202 26 W CA 0.692 58.043 57.345 0.010 0.000 1.312 26 W CB -0.212 29.249 29.460 0.003 0.000 1.120 26 W HN -0.075 nan 8.180 nan 0.000 0.536 27 L N 0.424 121.709 121.223 0.103 0.000 2.056 27 L HA -0.142 4.198 4.340 0.000 0.000 0.207 27 L C 2.612 179.377 176.870 -0.174 0.000 1.078 27 L CA 1.464 56.253 54.840 -0.085 0.000 0.749 27 L CB -0.804 41.306 42.059 0.083 0.000 0.901 27 L HN -0.116 nan 8.230 nan 0.000 0.433 28 R N -0.289 120.158 120.500 -0.089 0.000 2.115 28 R HA -0.025 4.315 4.340 0.000 0.000 0.226 28 R C 2.431 178.659 176.300 -0.119 0.000 1.100 28 R CA 0.954 57.005 56.100 -0.081 0.000 0.980 28 R CB -0.347 29.937 30.300 -0.026 0.000 0.875 28 R HN 0.335 nan 8.270 nan 0.000 0.445 29 A N 1.467 124.194 122.820 -0.155 0.000 1.877 29 A HA -0.180 4.141 4.320 0.000 0.000 0.216 29 A C 1.931 179.347 177.584 -0.280 0.000 1.186 29 A CA 1.257 53.184 52.037 -0.183 0.000 0.620 29 A CB -0.251 18.648 19.000 -0.169 0.000 0.822 29 A HN 0.144 nan 8.150 nan 0.000 0.443 30 E N -1.606 118.299 120.200 -0.491 0.000 2.110 30 E HA -0.045 4.305 4.350 0.000 0.000 0.193 30 E C 1.480 177.919 176.600 -0.269 0.000 0.988 30 E CA 1.314 57.415 56.400 -0.498 0.000 0.804 30 E CB -0.253 28.958 29.700 -0.814 0.000 0.745 30 E HN 0.858 nan 8.360 nan 0.000 0.458 31 G N -0.257 108.417 108.800 -0.211 0.000 2.205 31 G HA2 -0.159 3.802 3.960 0.000 0.000 0.180 31 G HA3 -0.159 3.802 3.960 0.000 0.000 0.180 31 G C 0.028 174.868 174.900 -0.100 0.000 1.004 31 G CA -0.151 44.873 45.100 -0.126 0.000 0.670 31 G HN 0.089 nan 8.290 nan 0.000 0.496 32 L N 2.623 123.777 121.223 -0.116 0.000 2.382 32 L HA 0.348 4.688 4.340 0.000 0.000 0.259 32 L C 1.660 178.499 176.870 -0.052 0.000 1.291 32 L CA 1.260 56.059 54.840 -0.068 0.000 1.176 32 L CB -0.515 41.515 42.059 -0.049 0.000 1.373 32 L HN 0.226 nan 8.230 nan 0.000 0.426 33 T N 0.119 114.645 114.554 -0.046 0.000 3.219 33 T HA 0.065 4.415 4.350 0.000 0.000 0.249 33 T C 1.665 176.336 174.700 -0.048 0.000 1.099 33 T CA 0.728 62.804 62.100 -0.040 0.000 0.988 33 T CB 0.059 68.910 68.868 -0.028 0.000 0.999 33 T HN 0.714 nan 8.240 nan 0.000 0.550 34 G N 0.501 109.272 108.800 -0.049 0.000 2.572 34 G HA2 0.023 3.983 3.960 0.000 0.000 0.216 34 G HA3 0.023 3.983 3.960 0.000 0.000 0.216 34 G C 0.677 175.519 174.900 -0.097 0.000 1.133 34 G CA 0.214 45.275 45.100 -0.065 0.000 0.791 34 G HN 0.481 nan 8.290 nan 0.000 0.538 35 T N 2.305 116.814 114.554 -0.076 0.000 2.780 35 T HA 0.430 4.780 4.350 0.000 0.000 0.294 35 T C 0.124 174.762 174.700 -0.104 0.000 0.949 35 T CA -0.371 61.681 62.100 -0.081 0.000 1.074 35 T CB 1.708 70.556 68.868 -0.034 0.000 0.910 35 T HN -0.023 nan 8.240 nan 0.000 0.501 36 K N 2.449 122.750 120.400 -0.165 0.000 2.502 36 K HA 0.545 4.865 4.320 0.000 0.000 0.252 36 K C 0.097 176.687 176.600 -0.018 0.000 1.043 36 K CA -0.822 55.352 56.287 -0.188 0.000 0.999 36 K CB 0.932 33.045 32.500 -0.646 0.000 1.343 36 K HN 0.590 nan 8.250 nan 0.000 0.513 37 E N -0.662 119.607 120.200 0.115 0.000 2.246 37 E HA 0.408 4.758 4.350 0.000 0.000 0.266 37 E C -0.073 176.648 176.600 0.203 0.000 0.880 37 E CA -0.633 55.845 56.400 0.131 0.000 0.762 37 E CB 1.845 31.611 29.700 0.111 0.000 1.180 37 E HN 0.810 nan 8.360 nan 0.000 0.416 38 G N 0.319 109.203 108.800 0.140 0.000 3.146 38 G HA2 0.116 4.076 3.960 0.000 0.000 0.238 38 G HA3 0.116 4.076 3.960 0.000 0.000 0.238 38 G C 0.765 175.716 174.900 0.085 0.000 1.022 38 G CA 0.581 45.767 45.100 0.142 0.000 0.880 38 G HN 0.691 nan 8.290 nan 0.000 0.533 39 C N -3.228 116.112 119.300 0.067 0.000 4.529 39 C HA 0.238 4.698 4.460 0.000 0.000 0.336 39 C C 0.581 175.597 174.990 0.044 0.000 2.411 39 C CA -0.260 58.788 59.018 0.050 0.000 1.591 39 C CB -1.300 26.465 27.740 0.042 0.000 2.033 39 C HN 0.260 nan 8.230 nan 0.000 0.465 40 N N 1.867 120.593 118.700 0.043 0.000 2.727 40 N HA -0.184 4.556 4.740 0.000 0.000 0.249 40 N C 0.193 175.718 175.510 0.025 0.000 1.048 40 N CA 1.326 54.396 53.050 0.034 0.000 0.714 40 N CB -0.574 37.936 38.487 0.039 0.000 0.959 40 N HN 0.887 nan 8.380 nan 0.000 0.544 41 E N -1.309 118.903 120.200 0.020 0.000 2.743 41 E HA 0.192 4.542 4.350 0.000 0.000 0.222 41 E C 1.133 177.734 176.600 0.000 0.000 0.959 41 E CA 0.297 56.703 56.400 0.012 0.000 1.198 41 E CB 0.750 30.461 29.700 0.019 0.000 1.100 41 E HN 0.414 nan 8.360 nan 0.000 0.518 42 G N 1.873 110.673 108.800 0.000 0.000 2.168 42 G HA2 -0.298 3.662 3.960 0.000 0.000 0.257 42 G HA3 -0.298 3.662 3.960 0.000 0.000 0.257 42 G C 0.501 175.396 174.900 -0.009 0.000 0.997 42 G CA 0.793 45.888 45.100 -0.009 0.000 0.708 42 G HN 0.301 nan 8.290 nan 0.000 0.520 43 D N -1.056 119.345 120.400 0.002 0.000 2.346 43 D HA 0.085 4.725 4.640 0.000 0.000 0.206 43 D C 2.243 178.551 176.300 0.013 0.000 1.001 43 D CA 1.216 55.219 54.000 0.005 0.000 0.871 43 D CB 0.168 40.975 40.800 0.012 0.000 0.943 43 D HN 0.739 nan 8.370 nan 0.000 0.518 44 C N -2.694 116.617 119.300 0.017 0.000 3.757 44 C HA 0.572 5.033 4.460 0.000 0.000 0.358 44 C C 1.678 176.661 174.990 -0.011 0.000 1.484 44 C CA 0.290 59.324 59.018 0.027 0.000 1.862 44 C CB 0.077 27.858 27.740 0.069 0.000 2.654 44 C HN 0.240 nan 8.230 nan 0.000 0.699 45 G N 1.529 110.312 108.800 -0.029 0.000 2.225 45 G HA2 -0.086 3.874 3.960 0.000 0.000 0.267 45 G HA3 -0.086 3.874 3.960 0.000 0.000 0.267 45 G C 1.023 175.881 174.900 -0.070 0.000 1.024 45 G CA 0.518 45.577 45.100 -0.069 0.000 0.784 45 G HN 1.607 nan 8.290 nan 0.000 0.507 46 A N -0.912 121.897 122.820 -0.018 0.000 2.248 46 A HA 0.287 4.607 4.320 0.000 0.000 0.210 46 A C 1.971 179.508 177.584 -0.079 0.000 1.174 46 A CA 1.978 54.000 52.037 -0.024 0.000 0.750 46 A CB -0.663 18.376 19.000 0.064 0.000 0.780 46 A HN 1.952 nan 8.150 nan 0.000 0.478 47 C N -3.179 116.087 119.300 -0.056 0.000 3.304 47 C HA 0.373 4.833 4.460 0.000 0.000 0.264 47 C C 0.340 175.301 174.990 -0.047 0.000 2.233 47 C CA -0.495 58.491 59.018 -0.053 0.000 1.661 47 C CB -1.652 26.069 27.740 -0.031 0.000 3.383 47 C HN 0.212 nan 8.230 nan 0.000 0.427 48 T N 3.083 117.601 114.554 -0.060 0.000 2.866 48 T HA 0.355 4.705 4.350 0.000 0.000 0.293 48 T C 0.577 175.250 174.700 -0.045 0.000 1.005 48 T CA 0.938 63.002 62.100 -0.060 0.000 1.162 48 T CB 0.350 69.169 68.868 -0.081 0.000 0.968 48 T HN 1.135 nan 8.240 nan 0.000 0.530 49 V N 1.634 121.524 119.914 -0.039 0.000 3.019 49 V HA 0.752 4.872 4.120 0.000 0.000 0.317 49 V C -0.339 175.735 176.094 -0.034 0.000 1.094 49 V CA -1.474 60.808 62.300 -0.030 0.000 1.000 49 V CB 2.193 34.001 31.823 -0.025 0.000 1.060 49 V HN 0.865 nan 8.190 nan 0.000 0.443 50 M N 4.004 123.588 119.600 -0.026 0.000 2.125 50 M HA 0.671 5.152 4.480 0.000 0.000 0.321 50 M C -1.032 175.249 176.300 -0.031 0.000 0.983 50 M CA -0.745 54.539 55.300 -0.027 0.000 0.934 50 M CB 1.141 33.730 32.600 -0.018 0.000 1.542 50 M HN 0.891 nan 8.290 nan 0.000 0.424 51 I N 1.683 122.227 120.570 -0.043 0.000 2.525 51 I HA 0.718 4.888 4.170 0.000 0.000 0.301 51 I C -0.925 175.169 176.117 -0.038 0.000 0.992 51 I CA -0.779 60.490 61.300 -0.051 0.000 1.162 51 I CB 1.860 39.814 38.000 -0.076 0.000 1.332 51 I HN 0.801 nan 8.210 nan 0.000 0.458 52 R N 2.605 123.086 120.500 -0.032 0.000 2.837 52 R HA 0.629 4.969 4.340 0.000 0.000 0.271 52 R C -1.771 174.533 176.300 0.008 0.000 0.993 52 R CA -0.314 55.778 56.100 -0.013 0.000 0.931 52 R CB 1.861 32.158 30.300 -0.005 0.000 1.206 52 R HN 1.034 nan 8.270 nan 0.000 0.474 53 D N 0.932 121.346 120.400 0.024 0.000 3.435 53 D HA 0.126 4.766 4.640 0.000 0.000 0.352 53 D C 0.243 176.568 176.300 0.040 0.000 1.460 53 D CA -0.153 53.879 54.000 0.054 0.000 0.935 53 D CB -0.216 40.608 40.800 0.039 0.000 1.468 53 D HN 0.407 nan 8.370 nan 0.000 0.573 54 A N -0.014 122.828 122.820 0.037 0.000 1.978 54 A HA 0.143 4.463 4.320 0.000 0.000 0.220 54 A C 2.096 179.682 177.584 0.003 0.000 1.170 54 A CA 3.142 55.191 52.037 0.020 0.000 0.636 54 A CB -1.308 17.701 19.000 0.014 0.000 0.810 54 A HN 0.775 nan 8.150 nan 0.000 0.448 55 A N -1.622 121.195 122.820 -0.005 0.000 1.969 55 A HA 0.421 4.741 4.320 0.000 0.000 0.218 55 A C 1.563 179.137 177.584 -0.017 0.000 1.169 55 A CA 1.853 53.880 52.037 -0.017 0.000 0.635 55 A CB -0.795 18.187 19.000 -0.029 0.000 0.810 55 A HN 2.107 nan 8.150 nan 0.000 0.445 56 G N -1.734 107.059 108.800 -0.012 0.000 2.343 56 G HA2 0.317 4.277 3.960 0.000 0.000 0.562 56 G HA3 0.317 4.277 3.960 0.000 0.000 0.562 56 G C -0.134 174.756 174.900 -0.018 0.000 1.269 56 G CA -0.107 44.984 45.100 -0.015 0.000 1.011 56 G HN 1.412 nan 8.290 nan 0.000 0.498 57 S N -0.585 115.103 115.700 -0.020 0.000 2.545 57 S HA 0.794 5.264 4.470 0.000 0.000 0.275 57 S C 0.122 174.707 174.600 -0.025 0.000 1.299 57 S CA -0.110 58.077 58.200 -0.022 0.000 1.048 57 S CB 1.495 64.683 63.200 -0.020 0.000 0.938 57 S HN 0.818 nan 8.310 nan 0.000 0.496 58 R N 0.863 121.346 120.500 -0.028 0.000 2.604 58 R HA 0.636 4.976 4.340 0.000 0.000 0.281 58 R C -1.186 175.094 176.300 -0.032 0.000 1.020 58 R CA -0.589 55.492 56.100 -0.031 0.000 0.899 58 R CB 2.281 32.558 30.300 -0.038 0.000 1.205 58 R HN 0.844 nan 8.270 nan 0.000 0.450 59 A N 2.762 125.565 122.820 -0.029 0.000 2.260 59 A HA 0.631 4.951 4.320 0.000 0.000 0.308 59 A C -0.141 177.421 177.584 -0.037 0.000 1.254 59 A CA -0.500 51.517 52.037 -0.032 0.000 0.874 59 A CB 0.510 19.494 19.000 -0.027 0.000 1.153 59 A HN 0.496 nan 8.150 nan 0.000 0.527 60 V N 0.661 120.549 119.914 -0.043 0.000 3.130 60 V HA 0.543 4.663 4.120 0.000 0.000 0.310 60 V C -0.427 175.640 176.094 -0.046 0.000 1.158 60 V CA -1.495 60.778 62.300 -0.045 0.000 1.029 60 V CB 1.841 33.633 31.823 -0.052 0.000 1.057 60 V HN 0.772 nan 8.190 nan 0.000 0.436 61 N N 1.145 119.820 118.700 -0.041 0.000 2.497 61 N HA 0.345 5.085 4.740 0.000 0.000 0.271 61 N C 0.955 176.440 175.510 -0.040 0.000 1.142 61 N CA 0.362 53.390 53.050 -0.038 0.000 0.965 61 N CB 2.040 40.509 38.487 -0.030 0.000 1.077 61 N HN 1.002 nan 8.380 nan 0.000 0.462 62 A N 1.479 124.279 122.820 -0.033 0.000 2.016 62 A HA -0.098 4.223 4.320 0.000 0.000 0.217 62 A C 2.251 179.824 177.584 -0.019 0.000 1.162 62 A CA 0.647 52.666 52.037 -0.030 0.000 0.662 62 A CB -0.484 18.509 19.000 -0.013 0.000 0.812 62 A HN 0.902 nan 8.150 nan 0.000 0.450 63 C N -1.601 117.693 119.300 -0.011 0.000 2.481 63 C HA 0.314 4.774 4.460 0.000 0.000 0.275 63 C C 1.990 176.975 174.990 -0.008 0.000 1.419 63 C CA 0.532 59.551 59.018 0.001 0.000 1.773 63 C CB -1.423 26.323 27.740 0.010 0.000 1.862 63 C HN 0.429 nan 8.230 nan 0.000 0.530 64 L N -0.188 121.022 121.223 -0.022 0.000 2.554 64 L HA 0.331 4.671 4.340 0.000 0.000 0.225 64 L C 1.127 177.975 176.870 -0.038 0.000 1.104 64 L CA 0.059 54.880 54.840 -0.032 0.000 0.866 64 L CB -0.241 41.797 42.059 -0.036 0.000 1.047 64 L HN 0.290 nan 8.230 nan 0.000 0.468 65 M N 1.875 121.448 119.600 -0.047 0.000 2.084 65 M HA 0.335 4.815 4.480 0.000 0.000 0.351 65 M C 0.013 176.263 176.300 -0.084 0.000 1.240 65 M CA -0.196 55.060 55.300 -0.073 0.000 1.083 65 M CB 0.720 33.260 32.600 -0.100 0.000 1.593 65 M HN -0.063 nan 8.290 nan 0.000 0.463 66 M N 4.001 123.555 119.600 -0.078 0.000 2.207 66 M HA 0.080 4.560 4.480 0.000 0.000 0.311 66 M C 0.877 177.028 176.300 -0.248 0.000 1.127 66 M CA 0.165 55.406 55.300 -0.097 0.000 1.181 66 M CB 0.081 32.687 32.600 0.011 0.000 1.409 66 M HN 0.854 nan 8.290 nan 0.000 0.461 67 L N 1.646 122.707 121.223 -0.270 0.000 2.027 67 L HA -0.101 4.239 4.340 0.000 0.000 0.206 67 L C -0.519 176.076 176.870 -0.459 0.000 1.074 67 L CA 1.496 56.099 54.840 -0.396 0.000 0.745 67 L CB -1.328 40.503 42.059 -0.380 0.000 0.898 67 L HN 0.552 nan 8.230 nan 0.000 0.433 68 P HA -0.171 nan 4.420 nan 0.000 0.229 68 P C 1.125 178.096 177.300 -0.549 0.000 1.150 68 P CA 1.125 63.870 63.100 -0.592 0.000 0.765 68 P CB 0.033 31.192 31.700 -0.901 0.000 0.783 69 Q N -0.536 118.944 119.800 -0.533 0.000 2.163 69 Q HA 0.003 4.343 4.340 0.000 0.000 0.198 69 Q C 1.837 177.728 176.000 -0.183 0.000 0.954 69 Q CA 0.783 56.395 55.803 -0.317 0.000 0.851 69 Q CB -0.361 28.187 28.738 -0.317 0.000 0.928 69 Q HN 0.384 nan 8.270 nan 0.000 0.459 70 I N -1.571 118.829 120.570 -0.283 0.000 3.620 70 I HA 0.218 4.388 4.170 0.000 0.000 0.305 70 I C 0.416 176.432 176.117 -0.168 0.000 1.243 70 I CA -0.527 60.606 61.300 -0.278 0.000 1.196 70 I CB -0.332 37.367 38.000 -0.502 0.000 1.004 70 I HN -0.190 nan 8.210 nan 0.000 0.487 71 A N 1.657 124.429 122.820 -0.080 0.000 2.492 71 A HA 0.473 4.793 4.320 0.000 0.000 0.254 71 A C 1.558 179.196 177.584 0.090 0.000 1.091 71 A CA 0.451 52.481 52.037 -0.012 0.000 0.768 71 A CB -0.417 18.499 19.000 -0.139 0.000 1.028 71 A HN 1.039 nan 8.150 nan 0.000 0.498 72 G N 1.919 110.831 108.800 0.188 0.000 2.184 72 G HA2 -0.238 3.722 3.960 0.000 0.000 0.264 72 G HA3 -0.238 3.722 3.960 0.000 0.000 0.264 72 G C 0.461 175.604 174.900 0.404 0.000 0.975 72 G CA 0.851 46.130 45.100 0.298 0.000 0.642 72 G HN 0.776 nan 8.290 nan 0.000 0.536 73 K N -0.058 120.472 120.400 0.218 0.000 2.520 73 K HA 0.775 5.095 4.320 0.000 0.000 0.256 73 K C 0.113 176.643 176.600 -0.115 0.000 1.033 73 K CA 0.019 56.358 56.287 0.086 0.000 1.007 73 K CB 1.066 33.564 32.500 -0.004 0.000 1.330 73 K HN 0.793 nan 8.250 nan 0.000 0.507 74 A N 1.518 124.264 122.820 -0.124 0.000 2.409 74 A HA 0.352 4.673 4.320 0.000 0.000 0.300 74 A C -1.121 176.409 177.584 -0.091 0.000 1.273 74 A CA -0.608 51.302 52.037 -0.212 0.000 0.774 74 A CB 0.177 19.090 19.000 -0.145 0.000 1.144 74 A HN 0.441 nan 8.150 nan 0.000 0.472 75 L N 2.281 123.479 121.223 -0.041 0.000 2.265 75 L HA 0.756 5.096 4.340 0.000 0.000 0.288 75 L C -0.047 176.847 176.870 0.040 0.000 1.058 75 L CA -0.081 54.764 54.840 0.008 0.000 0.809 75 L CB 0.883 42.970 42.059 0.047 0.000 1.179 75 L HN 0.620 nan 8.230 nan 0.000 0.429 76 R N 2.453 122.968 120.500 0.025 0.000 2.439 76 R HA 0.658 4.998 4.340 0.000 0.000 0.310 76 R C -0.424 175.898 176.300 0.037 0.000 0.955 76 R CA -0.123 56.004 56.100 0.044 0.000 0.853 76 R CB 1.358 31.682 30.300 0.040 0.000 1.171 76 R HN 0.868 nan 8.270 nan 0.000 0.449 77 T N 0.440 115.025 114.554 0.052 0.000 2.893 77 T HA 0.244 4.595 4.350 0.000 0.000 0.279 77 T C 1.204 175.921 174.700 0.028 0.000 0.991 77 T CA -0.728 61.393 62.100 0.035 0.000 0.950 77 T CB 0.586 69.481 68.868 0.045 0.000 1.223 77 T HN 0.398 nan 8.240 nan 0.000 0.585 78 I N 1.710 122.287 120.570 0.011 0.000 2.163 78 I HA -0.180 3.990 4.170 0.000 0.000 0.243 78 I C 2.462 178.593 176.117 0.023 0.000 1.085 78 I CA 1.767 63.072 61.300 0.008 0.000 1.347 78 I CB -0.769 37.223 38.000 -0.012 0.000 1.044 78 I HN 0.811 nan 8.210 nan 0.000 0.408 79 E N -0.128 120.083 120.200 0.018 0.000 2.333 79 E HA -0.132 4.218 4.350 0.000 0.000 0.198 79 E C 1.956 178.578 176.600 0.037 0.000 1.007 79 E CA 1.181 57.592 56.400 0.019 0.000 0.845 79 E CB -0.896 28.809 29.700 0.008 0.000 0.766 79 E HN 0.619 nan 8.360 nan 0.000 0.507 80 G N 0.771 109.606 108.800 0.059 0.000 3.088 80 G HA2 0.088 4.048 3.960 0.000 0.000 0.217 80 G HA3 0.088 4.048 3.960 0.000 0.000 0.217 80 G C 1.421 176.418 174.900 0.161 0.000 1.159 80 G CA -0.302 44.853 45.100 0.091 0.000 0.760 80 G HN 0.065 nan 8.290 nan 0.000 0.550 81 I N 1.744 122.406 120.570 0.152 0.000 2.233 81 I HA 0.078 4.248 4.170 0.000 0.000 0.243 81 I C 2.052 178.429 176.117 0.434 0.000 1.093 81 I CA 0.303 61.748 61.300 0.240 0.000 1.380 81 I CB -1.031 37.027 38.000 0.097 0.000 1.067 81 I HN 0.145 nan 8.210 nan 0.000 0.413 82 A N 1.270 124.223 122.820 0.222 0.000 2.445 82 A HA 0.477 4.798 4.320 0.000 0.000 0.242 82 A C 0.751 178.186 177.584 -0.249 0.000 1.075 82 A CA 0.153 52.248 52.037 0.096 0.000 0.777 82 A CB -0.014 18.987 19.000 0.002 0.000 1.013 82 A HN 0.356 nan 8.150 nan 0.000 0.493 83 A N 3.223 125.520 122.820 -0.872 0.000 2.536 83 A HA 0.381 4.701 4.320 0.000 0.000 0.234 83 A C -1.129 176.035 177.584 -0.700 0.000 1.076 83 A CA -0.189 50.868 52.037 -1.633 0.000 0.769 83 A CB -0.557 17.378 19.000 -1.775 0.000 1.020 83 A HN 0.643 nan 8.150 nan 0.000 0.508 84 P HA -0.120 nan 4.420 nan 0.000 0.218 84 P C 0.508 177.692 177.300 -0.194 0.000 1.149 84 P CA 1.511 64.468 63.100 -0.238 0.000 0.817 84 P CB -0.031 31.586 31.700 -0.138 0.000 0.785 85 D N -1.405 118.859 120.400 -0.227 0.000 2.344 85 D HA 0.068 4.709 4.640 0.000 0.000 0.242 85 D C 1.258 177.460 176.300 -0.162 0.000 1.159 85 D CA 0.422 54.326 54.000 -0.159 0.000 0.859 85 D CB -0.928 39.793 40.800 -0.133 0.000 0.925 85 D HN 0.226 nan 8.370 nan 0.000 0.510 86 G N 1.247 109.934 108.800 -0.188 0.000 2.184 86 G HA2 -0.378 3.582 3.960 0.000 0.000 0.264 86 G HA3 -0.378 3.582 3.960 0.000 0.000 0.264 86 G C 0.453 175.263 174.900 -0.151 0.000 0.975 86 G CA 0.182 45.195 45.100 -0.145 0.000 0.642 86 G HN 0.560 nan 8.290 nan 0.000 0.536 87 R N 0.347 120.719 120.500 -0.212 0.000 2.590 87 R HA 0.483 4.823 4.340 0.000 0.000 0.274 87 R C 1.055 177.263 176.300 -0.154 0.000 1.061 87 R CA -0.437 55.558 56.100 -0.175 0.000 1.081 87 R CB 0.088 30.270 30.300 -0.197 0.000 0.984 87 R HN 0.303 nan 8.270 nan 0.000 0.448 88 L N 3.044 124.246 121.223 -0.034 0.000 2.464 88 L HA 0.110 4.451 4.340 0.000 0.000 0.264 88 L C 0.998 177.982 176.870 0.190 0.000 1.199 88 L CA -0.233 54.644 54.840 0.061 0.000 0.818 88 L CB 0.389 42.482 42.059 0.058 0.000 1.102 88 L HN 0.579 nan 8.230 nan 0.000 0.473 89 H N 2.966 122.160 119.070 0.207 0.000 2.652 89 H HA 0.097 4.653 4.556 0.000 0.000 0.349 89 H C -1.846 173.545 175.328 0.106 0.000 1.099 89 H CA -1.617 54.609 56.048 0.296 0.000 1.417 89 H CB 1.853 31.765 29.762 0.250 0.000 1.457 89 H HN 0.285 nan 8.280 nan 0.000 0.568 90 P HA -0.194 nan 4.420 nan 0.000 0.218 90 P C 1.499 178.803 177.300 0.007 0.000 1.146 90 P CA 0.878 63.923 63.100 -0.092 0.000 0.820 90 P CB 0.332 31.849 31.700 -0.304 0.000 0.778 91 V N -1.066 118.985 119.914 0.229 0.000 2.535 91 V HA -0.187 3.934 4.120 0.000 0.000 0.246 91 V C 2.477 178.612 176.094 0.067 0.000 1.045 91 V CA 1.599 63.950 62.300 0.084 0.000 1.058 91 V CB -1.034 30.789 31.823 0.001 0.000 0.689 91 V HN 0.122 nan 8.190 nan 0.000 0.461 92 Q N -0.807 119.066 119.800 0.121 0.000 2.084 92 Q HA -0.219 4.121 4.340 0.000 0.000 0.202 92 Q C 2.471 178.502 176.000 0.052 0.000 0.978 92 Q CA 1.392 57.242 55.803 0.079 0.000 0.844 92 Q CB -0.160 28.642 28.738 0.107 0.000 0.898 92 Q HN 0.499 nan 8.270 nan 0.000 0.426 93 Q N 0.132 119.967 119.800 0.058 0.000 2.030 93 Q HA -0.181 4.160 4.340 0.000 0.000 0.204 93 Q C 2.169 178.186 176.000 0.028 0.000 0.986 93 Q CA 1.684 57.506 55.803 0.032 0.000 0.843 93 Q CB -0.529 28.227 28.738 0.031 0.000 0.904 93 Q HN 0.413 nan 8.270 nan 0.000 0.420 94 A N 0.936 123.782 122.820 0.043 0.000 1.915 94 A HA -0.237 4.083 4.320 0.000 0.000 0.220 94 A C 2.041 179.669 177.584 0.074 0.000 1.198 94 A CA 2.198 54.284 52.037 0.080 0.000 0.647 94 A CB -0.559 18.438 19.000 -0.004 0.000 0.825 94 A HN 0.350 nan 8.150 nan 0.000 0.456 95 M N -0.950 118.659 119.600 0.014 0.000 2.476 95 M HA 0.052 4.532 4.480 0.000 0.000 0.262 95 M C 1.892 178.173 176.300 -0.032 0.000 1.079 95 M CA 0.986 56.280 55.300 -0.011 0.000 1.104 95 M CB -0.916 31.676 32.600 -0.014 0.000 1.409 95 M HN 0.481 nan 8.290 nan 0.000 0.467 96 I N -0.397 120.149 120.570 -0.041 0.000 2.585 96 I HA -0.179 3.991 4.170 0.000 0.000 0.254 96 I C 1.589 177.579 176.117 -0.212 0.000 1.129 96 I CA 0.650 61.903 61.300 -0.079 0.000 1.455 96 I CB -0.340 37.635 38.000 -0.041 0.000 1.111 96 I HN 0.160 nan 8.210 nan 0.000 0.433 97 D N -0.001 120.279 120.400 -0.199 0.000 2.234 97 D HA -0.091 4.549 4.640 0.000 0.000 0.205 97 D C 1.376 177.276 176.300 -0.667 0.000 0.962 97 D CA 1.252 55.032 54.000 -0.367 0.000 0.855 97 D CB -0.074 40.582 40.800 -0.240 0.000 0.951 97 D HN 0.458 nan 8.370 nan 0.000 0.500 98 H N 0.101 118.969 119.070 -0.337 0.000 2.512 98 H HA 0.074 4.630 4.556 0.000 0.000 0.276 98 H C -0.144 175.081 175.328 -0.172 0.000 1.126 98 H CA -0.266 55.633 56.048 -0.250 0.000 1.060 98 H CB 0.196 29.884 29.762 -0.123 0.000 1.646 98 H HN 0.230 nan 8.280 nan 0.000 0.571 99 H N 0.033 119.112 119.070 0.015 0.000 2.527 99 H HA -0.131 4.425 4.556 -0.000 0.000 0.321 99 H C 1.273 176.582 175.328 -0.033 0.000 1.092 99 H CA 0.813 56.852 56.048 -0.015 0.000 1.118 99 H CB -1.845 27.902 29.762 -0.025 0.000 1.536 99 H HN 0.594 nan 8.280 nan 0.000 0.407 100 G N 0.021 108.827 108.800 0.011 0.000 3.440 100 G HA2 0.244 4.204 3.960 0.000 0.000 0.263 100 G HA3 0.244 4.204 3.960 0.000 0.000 0.263 100 G C 0.257 175.095 174.900 -0.104 0.000 1.236 100 G CA 0.556 45.609 45.100 -0.079 0.000 0.927 100 G HN 0.405 nan 8.290 nan 0.000 0.530 101 S N -0.936 114.743 115.700 -0.035 0.000 2.736 101 S HA 0.437 4.907 4.470 0.000 0.000 0.285 101 S C 0.301 174.900 174.600 -0.002 0.000 1.163 101 S CA -0.635 57.553 58.200 -0.021 0.000 1.025 101 S CB 1.617 64.820 63.200 0.004 0.000 1.030 101 S HN 0.301 nan 8.310 nan 0.000 0.486 102 Q N 1.841 121.634 119.800 -0.012 0.000 2.619 102 Q HA 0.093 4.433 4.340 0.000 0.000 0.195 102 Q C 2.135 178.143 176.000 0.014 0.000 0.910 102 Q CA 0.969 56.768 55.803 -0.006 0.000 0.862 102 Q CB -0.356 28.365 28.738 -0.028 0.000 1.123 102 Q HN 0.964 nan 8.270 nan 0.000 0.636 103 C N -0.916 118.400 119.300 0.027 0.000 2.495 103 C HA 0.478 4.939 4.460 0.000 0.000 0.275 103 C C 1.713 176.759 174.990 0.094 0.000 1.392 103 C CA 0.449 59.497 59.018 0.050 0.000 1.766 103 C CB -0.473 27.294 27.740 0.044 0.000 1.933 103 C HN 0.827 nan 8.230 nan 0.000 0.519 104 G N -0.175 108.683 108.800 0.098 0.000 2.258 104 G HA2 -0.353 3.607 3.960 0.000 0.000 0.233 104 G HA3 -0.353 3.607 3.960 0.000 0.000 0.233 104 G C 0.511 175.494 174.900 0.139 0.000 1.006 104 G CA 0.502 45.661 45.100 0.099 0.000 0.620 104 G HN 0.514 nan 8.290 nan 0.000 0.511 105 F N 1.890 121.861 119.950 0.036 0.000 2.171 105 F HA -0.075 4.450 4.527 -0.004 0.000 0.300 105 F C 2.907 178.751 175.800 0.073 0.000 1.090 105 F CA 2.748 60.775 58.000 0.045 0.000 1.293 105 F CB -0.289 38.732 39.000 0.036 0.000 1.013 105 F HN 0.645 nan 8.300 nan 0.000 0.486 106 C N -1.608 117.833 119.300 0.234 0.000 2.539 106 C HA 0.088 4.549 4.460 0.000 0.000 0.268 106 C C 2.421 177.566 174.990 0.259 0.000 1.395 106 C CA 0.712 59.872 59.018 0.238 0.000 1.757 106 C CB -1.653 26.304 27.740 0.361 0.000 1.851 106 C HN 0.395 nan 8.230 nan 0.000 0.545 107 T N 2.706 117.358 114.554 0.163 0.000 2.821 107 T HA -0.033 4.317 4.350 0.000 0.000 0.267 107 T C -0.374 174.391 174.700 0.109 0.000 1.046 107 T CA 2.174 64.362 62.100 0.148 0.000 1.139 107 T CB -1.107 67.801 68.868 0.066 0.000 0.871 107 T HN 0.455 nan 8.240 nan 0.000 0.454 108 P HA -0.064 nan 4.420 nan 0.000 0.215 108 P C 1.834 179.136 177.300 0.005 0.000 1.157 108 P CA 1.243 64.338 63.100 -0.008 0.000 0.868 108 P CB -0.548 31.106 31.700 -0.077 0.000 0.788 109 G N -1.120 107.673 108.800 -0.011 0.000 2.529 109 G HA2 -0.303 3.657 3.960 0.000 0.000 0.219 109 G HA3 -0.303 3.657 3.960 0.000 0.000 0.219 109 G C 1.356 176.217 174.900 -0.064 0.000 1.177 109 G CA 0.856 45.923 45.100 -0.054 0.000 0.773 109 G HN 0.180 nan 8.290 nan 0.000 0.573 110 F N 0.380 120.333 119.950 0.006 0.000 2.113 110 F HA 0.040 4.567 4.527 -0.001 0.000 0.297 110 F C 2.718 178.514 175.800 -0.007 0.000 1.103 110 F CA 0.542 58.552 58.000 0.017 0.000 1.248 110 F CB -0.120 38.899 39.000 0.031 0.000 0.999 110 F HN -0.004 nan 8.300 nan 0.000 0.475 111 I N -0.207 120.461 120.570 0.164 0.000 2.091 111 I HA -0.287 3.883 4.170 0.000 0.000 0.239 111 I C 2.504 178.616 176.117 -0.008 0.000 1.061 111 I CA 1.372 62.704 61.300 0.053 0.000 1.317 111 I CB -1.379 36.637 38.000 0.026 0.000 1.031 111 I HN -0.042 nan 8.210 nan 0.000 0.401 112 V N 0.185 120.092 119.914 -0.012 0.000 2.282 112 V HA -0.327 3.793 4.120 0.000 0.000 0.249 112 V C 2.746 178.823 176.094 -0.029 0.000 1.057 112 V CA 2.249 64.529 62.300 -0.033 0.000 1.032 112 V CB -0.790 31.016 31.823 -0.028 0.000 0.645 112 V HN 0.404 nan 8.190 nan 0.000 0.447 113 S N -1.072 114.614 115.700 -0.022 0.000 2.353 113 S HA -0.252 4.218 4.470 0.000 0.000 0.222 113 S C 1.985 176.607 174.600 0.038 0.000 1.035 113 S CA 2.245 60.436 58.200 -0.015 0.000 1.025 113 S CB -0.300 62.861 63.200 -0.066 0.000 0.902 113 S HN 0.485 nan 8.310 nan 0.000 0.440 114 M N 0.553 120.193 119.600 0.068 0.000 2.086 114 M HA -0.112 4.368 4.480 0.000 0.000 0.261 114 M C 2.412 178.754 176.300 0.071 0.000 1.067 114 M CA 1.541 56.901 55.300 0.102 0.000 1.116 114 M CB -0.527 32.123 32.600 0.083 0.000 1.348 114 M HN 0.449 nan 8.290 nan 0.000 0.407 115 A N 0.362 123.150 122.820 -0.053 0.000 1.908 115 A HA -0.105 4.215 4.320 0.000 0.000 0.218 115 A C 2.340 179.932 177.584 0.014 0.000 1.181 115 A CA 2.023 53.966 52.037 -0.157 0.000 0.627 115 A CB -0.972 17.788 19.000 -0.400 0.000 0.818 115 A HN 0.519 nan 8.150 nan 0.000 0.445 116 A N -0.284 122.540 122.820 0.005 0.000 1.933 116 A HA 0.179 4.499 4.320 0.000 0.000 0.218 116 A C 2.476 180.084 177.584 0.041 0.000 1.175 116 A CA 2.023 54.069 52.037 0.015 0.000 0.628 116 A CB -0.924 18.074 19.000 -0.003 0.000 0.814 116 A HN 1.062 nan 8.150 nan 0.000 0.444 117 A N -1.525 121.341 122.820 0.076 0.000 1.930 117 A HA -0.181 4.140 4.320 0.000 0.000 0.217 117 A C 2.109 179.769 177.584 0.127 0.000 1.175 117 A CA 1.590 53.683 52.037 0.094 0.000 0.627 117 A CB -0.865 18.224 19.000 0.148 0.000 0.815 117 A HN 0.759 nan 8.150 nan 0.000 0.443 118 H N -0.572 118.549 119.070 0.085 0.000 2.395 118 H HA -0.136 4.420 4.556 0.001 0.000 0.299 118 H C 1.798 177.159 175.328 0.055 0.000 1.070 118 H CA 1.801 57.910 56.048 0.102 0.000 1.356 118 H CB -0.010 29.852 29.762 0.168 0.000 1.401 118 H HN 0.530 nan 8.280 nan 0.000 0.524 119 D N 0.591 121.008 120.400 0.030 0.000 2.117 119 D HA -0.111 4.529 4.640 0.000 0.000 0.198 119 D C 1.252 177.498 176.300 -0.090 0.000 0.982 119 D CA 0.847 54.816 54.000 -0.052 0.000 0.828 119 D CB -0.096 40.700 40.800 -0.006 0.000 0.967 119 D HN 0.164 nan 8.370 nan 0.000 0.464 120 R N 0.513 120.979 120.500 -0.057 0.000 3.534 120 R HA 0.081 4.421 4.340 0.000 0.000 0.312 120 R C -0.493 175.766 176.300 -0.069 0.000 1.419 120 R CA -0.175 55.889 56.100 -0.059 0.000 1.262 120 R CB -0.212 30.064 30.300 -0.040 0.000 1.437 120 R HN 0.055 nan 8.270 nan 0.000 0.627 121 D N 1.586 121.923 120.400 -0.105 0.000 3.172 121 D HA -0.237 4.404 4.640 0.000 0.000 0.196 121 D C -0.625 175.634 176.300 -0.068 0.000 1.270 121 D CA 1.021 54.963 54.000 -0.096 0.000 0.665 121 D CB -0.174 40.566 40.800 -0.100 0.000 0.923 121 D HN 0.158 nan 8.370 nan 0.000 0.400 122 R N 0.926 121.393 120.500 -0.056 0.000 2.460 122 R HA 0.465 4.805 4.340 0.000 0.000 0.303 122 R C 0.877 177.039 176.300 -0.231 0.000 0.968 122 R CA -0.580 55.456 56.100 -0.107 0.000 0.889 122 R CB 0.952 31.206 30.300 -0.077 0.000 1.123 122 R HN 0.080 nan 8.270 nan 0.000 0.455 123 K N 1.275 121.452 120.400 -0.372 0.000 2.438 123 K HA 0.074 4.394 4.320 0.000 0.000 0.206 123 K C -0.613 175.453 176.600 -0.891 0.000 1.081 123 K CA -0.016 55.833 56.287 -0.729 0.000 1.053 123 K CB 0.829 33.139 32.500 -0.317 0.000 0.908 123 K HN 0.615 nan 8.250 nan 0.000 0.556 124 D N 1.005 121.102 120.400 -0.505 0.000 2.608 124 D HA -0.026 4.614 4.640 0.000 0.000 0.224 124 D C 0.411 176.584 176.300 -0.212 0.000 1.123 124 D CA -0.262 53.564 54.000 -0.290 0.000 1.030 124 D CB -0.335 40.375 40.800 -0.149 0.000 1.093 124 D HN 0.162 nan 8.370 nan 0.000 0.497 125 Y N 0.394 120.705 120.300 0.019 0.000 2.224 125 Y HA -0.168 4.382 4.550 0.001 0.000 0.289 125 Y C 1.930 177.845 175.900 0.026 0.000 1.146 125 Y CA 0.699 58.820 58.100 0.035 0.000 1.182 125 Y CB -0.082 38.408 38.460 0.050 0.000 0.983 125 Y HN 0.168 nan 8.280 nan 0.000 0.524 126 D N -0.052 120.435 120.400 0.145 0.000 2.271 126 D HA -0.159 4.481 4.640 0.000 0.000 0.207 126 D C 1.225 177.544 176.300 0.031 0.000 0.983 126 D CA 1.380 55.420 54.000 0.066 0.000 0.878 126 D CB -0.147 40.673 40.800 0.035 0.000 0.920 126 D HN 0.453 nan 8.370 nan 0.000 0.479 127 D N -1.280 119.136 120.400 0.027 0.000 2.615 127 D HA 0.004 4.644 4.640 0.000 0.000 0.259 127 D C 2.102 178.410 176.300 0.014 0.000 0.999 127 D CA -0.184 53.821 54.000 0.009 0.000 0.938 127 D CB 0.029 40.824 40.800 -0.008 0.000 1.121 127 D HN 0.037 nan 8.370 nan 0.000 0.487 128 L N 0.972 122.209 121.223 0.024 0.000 2.043 128 L HA -0.106 4.234 4.340 0.000 0.000 0.212 128 L C 2.245 179.133 176.870 0.030 0.000 1.075 128 L CA 1.507 56.367 54.840 0.033 0.000 0.752 128 L CB -0.921 41.178 42.059 0.066 0.000 0.891 128 L HN 0.058 nan 8.230 nan 0.000 0.432 129 L N -1.775 119.486 121.223 0.064 0.000 2.607 129 L HA 0.171 4.512 4.340 0.000 0.000 0.228 129 L C 2.365 179.213 176.870 -0.037 0.000 1.123 129 L CA 0.340 55.193 54.840 0.020 0.000 0.890 129 L CB -0.571 41.605 42.059 0.195 0.000 1.103 129 L HN 0.124 nan 8.230 nan 0.000 0.468 130 A N 1.026 123.834 122.820 -0.020 0.000 1.997 130 A HA -0.199 4.122 4.320 0.000 0.000 0.221 130 A C 2.370 179.926 177.584 -0.047 0.000 1.172 130 A CA 2.040 54.054 52.037 -0.038 0.000 0.645 130 A CB -1.012 17.980 19.000 -0.012 0.000 0.813 130 A HN 0.447 nan 8.150 nan 0.000 0.454 131 G N -0.377 108.387 108.800 -0.060 0.000 2.403 131 G HA2 -0.080 3.880 3.960 0.000 0.000 0.216 131 G HA3 -0.080 3.880 3.960 0.000 0.000 0.216 131 G C 0.521 175.354 174.900 -0.112 0.000 1.154 131 G CA 0.420 45.480 45.100 -0.068 0.000 0.784 131 G HN 0.636 nan 8.290 nan 0.000 0.538 132 N N 0.468 119.024 118.700 -0.240 0.000 2.442 132 N HA 0.468 5.208 4.740 0.000 0.000 0.265 132 N C -0.865 174.558 175.510 -0.145 0.000 1.138 132 N CA -0.227 52.558 53.050 -0.441 0.000 0.956 132 N CB 1.379 39.118 38.487 -1.247 0.000 1.067 132 N HN 0.230 nan 8.380 nan 0.000 0.474 133 L N 0.165 121.447 121.223 0.098 0.000 2.356 133 L HA 0.656 4.996 4.340 0.000 0.000 0.277 133 L C -0.735 176.405 176.870 0.451 0.000 0.996 133 L CA -1.030 54.053 54.840 0.405 0.000 0.822 133 L CB 0.996 43.222 42.059 0.279 0.000 1.256 133 L HN 0.451 nan 8.230 nan 0.000 0.413 134 C N 3.018 122.613 119.300 0.492 0.000 2.355 134 C HA 0.648 5.109 4.460 0.000 0.000 0.332 134 C C 1.604 176.555 174.990 -0.064 0.000 1.255 134 C CA -0.388 58.707 59.018 0.128 0.000 1.792 134 C CB 1.452 29.110 27.740 -0.136 0.000 2.300 134 C HN 1.050 nan 8.230 nan 0.000 0.515 135 R N 2.373 122.865 120.500 -0.015 0.000 2.210 135 R HA 0.164 4.505 4.340 0.000 0.000 0.203 135 R C 1.652 177.902 176.300 -0.084 0.000 1.010 135 R CA 1.577 57.660 56.100 -0.028 0.000 1.008 135 R CB -0.859 29.446 30.300 0.009 0.000 0.923 135 R HN 0.891 nan 8.270 nan 0.000 0.469 136 C N -1.108 118.127 119.300 -0.107 0.000 2.564 136 C HA 0.097 4.557 4.460 0.000 0.000 0.281 136 C C 2.508 177.416 174.990 -0.135 0.000 1.314 136 C CA 1.121 60.081 59.018 -0.097 0.000 1.706 136 C CB -0.448 27.252 27.740 -0.066 0.000 2.109 136 C HN 0.678 nan 8.230 nan 0.000 0.502 137 T N -2.297 112.128 114.554 -0.216 0.000 2.937 137 T HA 0.293 4.643 4.350 0.000 0.000 0.260 137 T C 1.627 176.214 174.700 -0.189 0.000 1.051 137 T CA 1.699 63.680 62.100 -0.198 0.000 1.141 137 T CB -0.313 68.413 68.868 -0.237 0.000 0.879 137 T HN 1.013 nan 8.240 nan 0.000 0.459 138 G N 0.140 108.755 108.800 -0.308 0.000 2.157 138 G HA2 -0.282 3.678 3.960 0.000 0.000 0.239 138 G HA3 -0.282 3.678 3.960 0.000 0.000 0.239 138 G C 0.600 175.496 174.900 -0.007 0.000 0.982 138 G CA 0.320 45.332 45.100 -0.147 0.000 0.650 138 G HN 0.652 nan 8.290 nan 0.000 0.527 139 Y N -2.660 117.620 120.300 -0.033 0.000 3.021 139 Y HA -0.386 4.164 4.550 0.001 0.000 0.469 139 Y C 2.746 178.615 175.900 -0.052 0.000 1.266 139 Y CA 2.454 60.526 58.100 -0.048 0.000 2.486 139 Y CB -1.890 36.589 38.460 0.031 0.000 0.892 139 Y HN 1.210 nan 8.280 nan 0.000 0.506 140 A N 0.156 123.044 122.820 0.113 0.000 1.948 140 A HA -0.167 4.153 4.320 0.000 0.000 0.220 140 A C -0.383 177.210 177.584 0.015 0.000 1.177 140 A CA 2.322 54.395 52.037 0.061 0.000 0.636 140 A CB -1.582 17.451 19.000 0.056 0.000 0.815 140 A HN 0.491 nan 8.150 nan 0.000 0.449 141 P HA -0.104 nan 4.420 nan 0.000 0.215 141 P C 1.233 178.494 177.300 -0.065 0.000 1.157 141 P CA 0.893 63.989 63.100 -0.006 0.000 0.863 141 P CB -0.127 31.569 31.700 -0.007 0.000 0.787 142 I N -0.717 119.782 120.570 -0.119 0.000 2.208 142 I HA -0.205 3.965 4.170 0.000 0.000 0.245 142 I C 2.405 178.426 176.117 -0.160 0.000 1.097 142 I CA 1.242 62.435 61.300 -0.177 0.000 1.363 142 I CB -0.971 36.839 38.000 -0.318 0.000 1.051 142 I HN -0.064 nan 8.210 nan 0.000 0.413 143 L N 0.918 122.081 121.223 -0.101 0.000 2.083 143 L HA -0.212 4.128 4.340 0.000 0.000 0.209 143 L C 2.651 179.398 176.870 -0.205 0.000 1.083 143 L CA 1.918 56.674 54.840 -0.139 0.000 0.752 143 L CB -0.652 41.396 42.059 -0.018 0.000 0.899 143 L HN 0.293 nan 8.230 nan 0.000 0.433 144 R N -0.192 120.206 120.500 -0.170 0.000 2.073 144 R HA -0.135 4.205 4.340 0.000 0.000 0.234 144 R C 2.323 178.319 176.300 -0.507 0.000 1.134 144 R CA 1.488 57.432 56.100 -0.260 0.000 0.952 144 R CB -0.473 29.740 30.300 -0.145 0.000 0.850 144 R HN 0.495 nan 8.270 nan 0.000 0.433 145 A N 1.351 123.914 122.820 -0.428 0.000 1.902 145 A HA -0.123 4.197 4.320 0.000 0.000 0.217 145 A C 2.398 179.796 177.584 -0.310 0.000 1.181 145 A CA 1.720 53.526 52.037 -0.386 0.000 0.623 145 A CB -0.656 18.250 19.000 -0.157 0.000 0.818 145 A HN 0.411 nan 8.150 nan 0.000 0.443 146 A N -0.246 122.365 122.820 -0.349 0.000 1.877 146 A HA -0.200 4.120 4.320 0.000 0.000 0.216 146 A C 1.943 179.298 177.584 -0.382 0.000 1.186 146 A CA 1.727 53.481 52.037 -0.471 0.000 0.620 146 A CB -0.570 17.850 19.000 -0.966 0.000 0.822 146 A HN 0.637 nan 8.150 nan 0.000 0.443 147 E N -0.457 119.538 120.200 -0.342 0.000 2.106 147 E HA -0.088 4.262 4.350 0.000 0.000 0.192 147 E C 2.312 178.867 176.600 -0.074 0.000 0.984 147 E CA 0.839 57.170 56.400 -0.116 0.000 0.806 147 E CB -0.247 29.404 29.700 -0.082 0.000 0.750 147 E HN 0.630 nan 8.360 nan 0.000 0.458 148 A N 1.460 124.179 122.820 -0.169 0.000 1.873 148 A HA -0.063 4.257 4.320 0.000 0.000 0.215 148 A C 2.393 179.960 177.584 -0.028 0.000 1.186 148 A CA 1.545 53.522 52.037 -0.101 0.000 0.616 148 A CB -0.592 18.304 19.000 -0.174 0.000 0.823 148 A HN 0.285 nan 8.150 nan 0.000 0.442 149 A N -0.104 122.683 122.820 -0.056 0.000 1.972 149 A HA 0.173 4.493 4.320 0.000 0.000 0.219 149 A C 2.405 180.034 177.584 0.074 0.000 1.169 149 A CA 1.878 53.889 52.037 -0.044 0.000 0.635 149 A CB -0.926 18.006 19.000 -0.113 0.000 0.810 149 A HN 1.115 nan 8.150 nan 0.000 0.446 150 A N -0.581 122.338 122.820 0.165 0.000 2.131 150 A HA 0.120 4.440 4.320 0.000 0.000 0.220 150 A C 2.123 179.821 177.584 0.191 0.000 1.158 150 A CA 1.624 53.831 52.037 0.283 0.000 0.665 150 A CB -0.990 18.169 19.000 0.264 0.000 0.795 150 A HN 0.756 nan 8.150 nan 0.000 0.460 151 G N -1.152 107.725 108.800 0.127 0.000 2.920 151 G HA2 0.153 4.113 3.960 0.000 0.000 0.208 151 G HA3 0.153 4.113 3.960 0.000 0.000 0.208 151 G C 0.408 175.365 174.900 0.095 0.000 1.159 151 G CA -0.105 45.049 45.100 0.089 0.000 0.784 151 G HN 0.407 nan 8.290 nan 0.000 0.535 152 E N 1.052 121.341 120.200 0.147 0.000 2.214 152 E HA 0.280 4.631 4.350 0.000 0.000 0.274 152 E C -2.373 174.329 176.600 0.171 0.000 0.977 152 E CA -2.224 54.252 56.400 0.128 0.000 0.827 152 E CB 1.651 31.394 29.700 0.072 0.000 1.130 152 E HN 0.002 nan 8.360 nan 0.000 0.394 153 P HA 0.097 nan 4.420 nan 0.000 0.265 153 P C -2.451 174.871 177.300 0.036 0.000 1.193 153 P CA -0.927 62.191 63.100 0.029 0.000 0.765 153 P CB -0.542 31.165 31.700 0.013 0.000 0.823 154 P HA 0.039 nan 4.420 nan 0.000 0.267 154 P C -0.246 176.925 177.300 -0.214 0.000 1.200 154 P CA 0.166 63.191 63.100 -0.124 0.000 0.772 154 P CB 0.273 31.845 31.700 -0.214 0.000 0.855 155 A N 2.628 125.205 122.820 -0.405 0.000 2.484 155 A HA 0.059 4.380 4.320 0.000 0.000 0.268 155 A C 1.350 178.512 177.584 -0.703 0.000 1.114 155 A CA -0.194 51.249 52.037 -0.990 0.000 0.780 155 A CB -0.306 17.707 19.000 -1.644 0.000 1.061 155 A HN 0.692 nan 8.150 nan 0.000 0.505 156 D N 2.321 122.467 120.400 -0.423 0.000 2.269 156 D HA -0.193 4.447 4.640 0.000 0.000 0.208 156 D C 1.305 177.591 176.300 -0.024 0.000 0.963 156 D CA 1.407 55.331 54.000 -0.126 0.000 0.864 156 D CB -0.269 40.548 40.800 0.029 0.000 0.936 156 D HN 0.883 nan 8.370 nan 0.000 0.505 157 W N 1.559 122.882 121.300 0.040 0.000 2.418 157 W HA 0.167 4.828 4.660 0.001 0.000 0.292 157 W C 1.924 178.475 176.519 0.054 0.000 1.213 157 W CA 0.022 57.393 57.345 0.044 0.000 1.283 157 W CB -0.789 28.696 29.460 0.042 0.000 1.119 157 W HN -0.188 nan 8.180 nan 0.000 0.542 158 L N 0.814 121.829 121.223 -0.347 0.000 2.217 158 L HA -0.074 4.267 4.340 0.000 0.000 0.211 158 L C 2.710 179.529 176.870 -0.084 0.000 1.107 158 L CA 1.190 55.940 54.840 -0.148 0.000 0.783 158 L CB -0.869 41.060 42.059 -0.216 0.000 0.919 158 L HN 0.077 nan 8.230 nan 0.000 0.442 159 Q N 0.364 120.092 119.800 -0.120 0.000 2.167 159 Q HA -0.101 4.239 4.340 0.000 0.000 0.202 159 Q C 2.295 178.297 176.000 0.003 0.000 0.970 159 Q CA 1.521 57.289 55.803 -0.057 0.000 0.855 159 Q CB -0.130 28.566 28.738 -0.071 0.000 0.911 159 Q HN 0.473 nan 8.270 nan 0.000 0.438 160 A N 0.280 123.123 122.820 0.038 0.000 2.070 160 A HA -0.176 4.144 4.320 0.000 0.000 0.220 160 A C 1.412 179.044 177.584 0.080 0.000 1.159 160 A CA 1.617 53.698 52.037 0.073 0.000 0.656 160 A CB -0.399 18.670 19.000 0.115 0.000 0.800 160 A HN 0.308 nan 8.150 nan 0.000 0.453 161 D N 0.132 120.573 120.400 0.069 0.000 2.264 161 D HA 0.007 4.647 4.640 0.000 0.000 0.208 161 D C 2.112 178.471 176.300 0.099 0.000 0.966 161 D CA 1.064 55.106 54.000 0.070 0.000 0.864 161 D CB -0.267 40.550 40.800 0.028 0.000 0.933 161 D HN 0.442 nan 8.370 nan 0.000 0.499 162 A N 1.104 123.968 122.820 0.073 0.000 1.917 162 A HA -0.142 4.178 4.320 0.000 0.000 0.219 162 A C 2.125 179.770 177.584 0.103 0.000 1.182 162 A CA 1.881 53.962 52.037 0.073 0.000 0.633 162 A CB -0.692 18.331 19.000 0.038 0.000 0.819 162 A HN 0.229 nan 8.150 nan 0.000 0.448 163 A N -1.779 121.101 122.820 0.101 0.000 2.250 163 A HA 0.345 4.665 4.320 0.000 0.000 0.208 163 A C 0.433 178.088 177.584 0.118 0.000 1.254 163 A CA -0.190 51.898 52.037 0.086 0.000 0.858 163 A CB -0.866 18.172 19.000 0.063 0.000 0.820 163 A HN 0.452 nan 8.150 nan 0.000 0.484 164 F N -0.631 119.326 119.950 0.011 0.000 2.399 164 F HA 0.382 4.909 4.527 0.001 0.000 0.342 164 F C 1.581 177.384 175.800 0.006 0.000 1.106 164 F CA 0.900 58.906 58.000 0.011 0.000 1.196 164 F CB 0.836 39.848 39.000 0.020 0.000 1.163 164 F HN 0.187 nan 8.300 nan 0.000 0.547 165 T N 3.196 117.245 114.554 -0.841 0.000 8.413 165 T HA -0.254 4.097 4.350 0.000 0.000 0.334 165 T C 0.128 174.687 174.700 -0.236 0.000 1.928 165 T CA 1.529 63.285 62.100 -0.573 0.000 2.815 165 T CB -1.527 67.100 68.868 -0.401 0.000 2.611 165 T HN 0.486 nan 8.240 nan 0.000 1.239 180 A N 0.270 123.130 122.820 0.067 0.000 2.401 180 A HA 0.452 4.772 4.320 0.000 0.000 0.313 180 A C -1.361 176.245 177.584 0.037 0.000 1.013 180 A CA -0.640 51.438 52.037 0.068 0.000 1.034 180 A CB -0.411 18.677 19.000 0.146 0.000 1.324 180 A HN 0.039 nan 8.150 nan 0.000 0.366 181 F N 2.294 122.036 119.950 -0.345 0.000 2.563 181 F HA 0.548 5.075 4.527 0.000 0.000 0.363 181 F C -0.313 175.305 175.800 -0.303 0.000 1.123 181 F CA -0.044 57.636 58.000 -0.535 0.000 1.307 181 F CB 0.600 38.786 39.000 -1.357 0.000 1.115 181 F HN 0.397 nan 8.300 nan 0.000 0.592 182 L N 8.166 128.832 121.223 -0.929 0.000 2.492 182 L HA 0.379 4.719 4.340 0.000 0.000 0.258 182 L C -2.275 173.972 176.870 -1.039 0.000 1.028 182 L CA -1.430 52.972 54.840 -0.730 0.000 0.900 182 L CB 1.222 43.073 42.059 -0.347 0.000 1.191 182 L HN 0.454 nan 8.230 nan 0.000 0.459 183 P HA 0.269 nan 4.420 nan 0.000 0.277 183 P C -0.312 176.819 177.300 -0.281 0.000 1.240 183 P CA -0.276 62.410 63.100 -0.689 0.000 0.798 183 P CB 1.506 32.960 31.700 -0.410 0.000 0.979 184 E N -0.580 119.533 120.200 -0.146 0.000 2.514 184 E HA 0.091 4.441 4.350 0.000 0.000 0.215 184 E C -0.024 176.562 176.600 -0.024 0.000 0.946 184 E CA 0.190 56.548 56.400 -0.069 0.000 1.038 184 E CB 0.638 30.300 29.700 -0.064 0.000 1.069 184 E HN 0.577 nan 8.360 nan 0.000 0.503 185 T N -2.626 111.926 114.554 -0.004 0.000 2.912 185 T HA 0.279 4.630 4.350 0.000 0.000 0.299 185 T C 0.804 175.533 174.700 0.049 0.000 1.052 185 T CA -0.702 61.413 62.100 0.026 0.000 0.996 185 T CB 1.851 70.743 68.868 0.040 0.000 1.070 185 T HN -0.260 nan 8.240 nan 0.000 0.465 186 S N 1.523 117.261 115.700 0.064 0.000 2.400 186 S HA -0.194 4.276 4.470 0.000 0.000 0.234 186 S C 1.407 176.101 174.600 0.157 0.000 1.049 186 S CA 2.094 60.362 58.200 0.113 0.000 1.039 186 S CB -0.554 62.738 63.200 0.153 0.000 0.856 186 S HN 0.854 nan 8.310 nan 0.000 0.465 187 D N 1.698 122.179 120.400 0.135 0.000 2.077 187 D HA -0.013 4.627 4.640 0.000 0.000 0.193 187 D C 2.236 178.639 176.300 0.171 0.000 0.989 187 D CA 1.378 55.466 54.000 0.147 0.000 0.831 187 D CB -0.699 40.166 40.800 0.109 0.000 0.979 187 D HN 0.374 nan 8.370 nan 0.000 0.449 188 A N 0.210 123.129 122.820 0.164 0.000 2.042 188 A HA -0.186 4.134 4.320 0.000 0.000 0.222 188 A C 2.072 179.877 177.584 0.368 0.000 1.167 188 A CA 1.383 53.566 52.037 0.243 0.000 0.649 188 A CB -0.689 18.439 19.000 0.213 0.000 0.809 188 A HN 0.277 nan 8.150 nan 0.000 0.457 189 L N -0.769 120.608 121.223 0.257 0.000 2.034 189 L HA 0.166 4.506 4.340 0.000 0.000 0.203 189 L C 2.654 179.657 176.870 0.223 0.000 1.074 189 L CA 2.155 57.137 54.840 0.238 0.000 0.748 189 L CB -0.952 41.061 42.059 -0.077 0.000 0.905 189 L HN 0.263 nan 8.230 nan 0.000 0.439 190 A N -0.602 122.342 122.820 0.208 0.000 1.986 190 A HA -0.254 4.066 4.320 0.000 0.000 0.220 190 A C 2.007 179.781 177.584 0.317 0.000 1.171 190 A CA 2.075 54.357 52.037 0.407 0.000 0.640 190 A CB -0.952 18.335 19.000 0.479 0.000 0.811 190 A HN 0.637 nan 8.150 nan 0.000 0.451 191 D N -1.602 118.948 120.400 0.250 0.000 2.078 191 D HA -0.176 4.464 4.640 0.000 0.000 0.193 191 D C 1.674 178.078 176.300 0.174 0.000 0.990 191 D CA 1.507 55.616 54.000 0.182 0.000 0.827 191 D CB -0.396 40.500 40.800 0.161 0.000 0.975 191 D HN 0.755 nan 8.370 nan 0.000 0.451 192 W N 0.734 122.049 121.300 0.025 0.000 2.358 192 W HA -0.262 4.398 4.660 0.001 0.000 0.303 192 W C 2.291 178.886 176.519 0.127 0.000 1.208 192 W CA 1.145 58.454 57.345 -0.060 0.000 1.274 192 W CB -0.577 28.576 29.460 -0.511 0.000 1.138 192 W HN -0.018 nan 8.180 nan 0.000 0.515 193 Y N 0.406 120.811 120.300 0.175 0.000 2.293 193 Y HA -0.165 4.385 4.550 0.000 0.000 0.291 193 Y C 2.205 178.068 175.900 -0.061 0.000 1.137 193 Y CA 1.815 59.930 58.100 0.026 0.000 1.202 193 Y CB -0.889 37.686 38.460 0.192 0.000 0.990 193 Y HN 0.032 nan 8.280 nan 0.000 0.537 194 L N 0.350 121.568 121.223 -0.008 0.000 2.083 194 L HA -0.045 4.295 4.340 0.000 0.000 0.209 194 L C 2.239 178.955 176.870 -0.255 0.000 1.083 194 L CA 2.145 56.921 54.840 -0.108 0.000 0.752 194 L CB -1.053 41.011 42.059 0.008 0.000 0.899 194 L HN 0.179 nan 8.230 nan 0.000 0.433 195 A N -2.192 120.425 122.820 -0.339 0.000 2.021 195 A HA -0.015 4.305 4.320 0.000 0.000 0.216 195 A C 0.590 177.633 177.584 -0.902 0.000 1.163 195 A CA 0.621 52.320 52.037 -0.564 0.000 0.676 195 A CB -0.426 18.227 19.000 -0.577 0.000 0.818 195 A HN 0.606 nan 8.150 nan 0.000 0.453 196 H N -0.736 117.943 119.070 -0.653 0.000 2.541 196 H HA 0.195 4.751 4.556 0.001 0.000 0.246 196 H C -2.157 172.797 175.328 -0.624 0.000 1.341 196 H CA -1.453 54.181 56.048 -0.690 0.000 1.469 196 H CB 1.097 30.174 29.762 -1.141 0.000 1.472 196 H HN 0.301 nan 8.280 nan 0.000 0.503 197 P HA -0.124 nan 4.420 nan 0.000 0.217 197 P C 1.132 178.267 177.300 -0.276 0.000 1.151 197 P CA 0.944 63.729 63.100 -0.525 0.000 0.828 197 P CB 0.664 32.168 31.700 -0.327 0.000 0.788 198 E N 0.381 120.505 120.200 -0.127 0.000 2.321 198 E HA 0.270 4.620 4.350 0.000 0.000 0.189 198 E C -0.245 176.403 176.600 0.080 0.000 1.125 198 E CA -0.487 55.909 56.400 -0.008 0.000 1.005 198 E CB -1.171 28.519 29.700 -0.017 0.000 1.140 198 E HN 0.110 nan 8.360 nan 0.000 0.457 199 A N -0.066 122.849 122.820 0.158 0.000 2.301 199 A HA 0.483 4.803 4.320 0.000 0.000 0.312 199 A C 0.052 177.847 177.584 0.351 0.000 1.182 199 A CA -0.603 51.604 52.037 0.284 0.000 0.826 199 A CB 0.732 19.942 19.000 0.350 0.000 1.134 199 A HN 0.215 nan 8.150 nan 0.000 0.501 200 T N 3.687 118.395 114.554 0.256 0.000 2.752 200 T HA 0.376 4.726 4.350 0.000 0.000 0.295 200 T C 0.126 174.892 174.700 0.110 0.000 0.923 200 T CA 0.304 62.520 62.100 0.194 0.000 1.112 200 T CB -0.423 68.540 68.868 0.158 0.000 0.884 200 T HN 0.405 nan 8.240 nan 0.000 0.525 201 L N 4.204 125.465 121.223 0.064 0.000 2.350 201 L HA 0.559 4.899 4.340 0.000 0.000 0.275 201 L C -0.050 176.750 176.870 -0.117 0.000 1.099 201 L CA -0.671 54.127 54.840 -0.071 0.000 0.808 201 L CB 0.770 42.741 42.059 -0.147 0.000 1.149 201 L HN 0.545 nan 8.230 nan 0.000 0.442 202 I N 2.030 122.472 120.570 -0.214 0.000 2.476 202 I HA 0.335 4.505 4.170 0.000 0.000 0.281 202 I C 0.479 176.546 176.117 -0.084 0.000 1.040 202 I CA 0.020 61.209 61.300 -0.185 0.000 1.094 202 I CB 1.786 39.596 38.000 -0.316 0.000 1.219 202 I HN 0.785 nan 8.210 nan 0.000 0.450 203 A N 4.694 127.482 122.820 -0.054 0.000 2.712 203 A HA 0.381 4.701 4.320 0.000 0.000 0.211 203 A C 1.967 179.541 177.584 -0.015 0.000 1.877 203 A CA 1.055 53.073 52.037 -0.032 0.000 0.686 203 A CB -1.232 17.749 19.000 -0.031 0.000 1.308 203 A HN 0.680 nan 8.150 nan 0.000 0.498 204 G N -1.684 107.101 108.800 -0.025 0.000 2.421 204 G HA2 0.311 4.271 3.960 0.000 0.000 0.217 204 G HA3 0.311 4.271 3.960 0.000 0.000 0.217 204 G C 1.261 176.143 174.900 -0.030 0.000 1.143 204 G CA 0.964 46.049 45.100 -0.026 0.000 0.784 204 G HN 2.008 nan 8.290 nan 0.000 0.541 205 G N -0.293 108.474 108.800 -0.056 0.000 2.198 205 G HA2 -0.251 3.710 3.960 0.000 0.000 0.257 205 G HA3 -0.251 3.710 3.960 0.000 0.000 0.257 205 G C 0.957 175.788 174.900 -0.114 0.000 1.042 205 G CA 1.430 46.471 45.100 -0.097 0.000 0.791 205 G HN 1.300 nan 8.290 nan 0.000 0.502 206 T N -4.189 110.310 114.554 -0.093 0.000 3.144 206 T HA 0.368 4.718 4.350 0.000 0.000 0.249 206 T C 1.048 175.679 174.700 -0.115 0.000 1.089 206 T CA 1.055 63.111 62.100 -0.074 0.000 0.989 206 T CB 0.547 69.407 68.868 -0.012 0.000 0.992 206 T HN 0.179 nan 8.240 nan 0.000 0.540 207 D N 0.263 120.530 120.400 -0.221 0.000 2.331 207 D HA 0.169 4.810 4.640 0.000 0.000 0.300 207 D C 2.077 177.854 176.300 -0.871 0.000 1.090 207 D CA 0.334 54.135 54.000 -0.332 0.000 0.905 207 D CB 0.600 41.288 40.800 -0.187 0.000 1.600 207 D HN 0.240 nan 8.370 nan 0.000 0.511 208 V N 2.111 121.470 119.914 -0.925 0.000 2.307 208 V HA -0.186 3.935 4.120 0.000 0.000 0.245 208 V C 2.533 178.206 176.094 -0.703 0.000 1.045 208 V CA 2.137 63.673 62.300 -1.274 0.000 1.024 208 V CB -0.885 30.557 31.823 -0.636 0.000 0.651 208 V HN 0.204 nan 8.190 nan 0.000 0.449 209 S N 0.266 115.749 115.700 -0.362 0.000 2.474 209 S HA -0.029 4.442 4.470 0.000 0.000 0.235 209 S C 1.746 176.280 174.600 -0.109 0.000 0.997 209 S CA 1.117 59.225 58.200 -0.153 0.000 0.949 209 S CB -0.635 62.514 63.200 -0.085 0.000 0.766 209 S HN 0.552 nan 8.310 nan 0.000 0.517 210 L N -0.576 120.530 121.223 -0.196 0.000 2.599 210 L HA 0.140 4.480 4.340 0.000 0.000 0.230 210 L C 1.776 178.735 176.870 0.149 0.000 1.141 210 L CA 0.138 54.953 54.840 -0.040 0.000 0.877 210 L CB -0.372 41.668 42.059 -0.031 0.000 1.009 210 L HN 0.425 nan 8.230 nan 0.000 0.447 211 W N -0.873 120.448 121.300 0.036 0.000 2.704 211 W HA 0.095 4.755 4.660 0.000 0.000 0.266 211 W C 2.206 178.746 176.519 0.035 0.000 1.266 211 W CA 0.613 57.979 57.345 0.034 0.000 1.377 211 W CB -0.917 28.563 29.460 0.033 0.000 1.082 211 W HN 0.060 nan 8.180 nan 0.000 0.608 212 V N -0.964 119.076 119.914 0.211 0.000 2.825 212 V HA -0.050 4.070 4.120 0.000 0.000 0.246 212 V C 1.974 178.130 176.094 0.103 0.000 1.068 212 V CA 2.142 64.526 62.300 0.141 0.000 1.088 212 V CB -0.722 31.166 31.823 0.107 0.000 0.733 212 V HN 0.072 nan 8.190 nan 0.000 0.468 213 T N -1.524 113.081 114.554 0.086 0.000 2.818 213 T HA 0.044 4.394 4.350 0.000 0.000 0.246 213 T C 1.904 176.650 174.700 0.077 0.000 1.036 213 T CA 1.327 63.468 62.100 0.069 0.000 1.160 213 T CB -0.353 68.544 68.868 0.048 0.000 0.869 213 T HN 0.352 nan 8.240 nan 0.000 0.419 214 K N 2.081 122.534 120.400 0.088 0.000 1.991 214 K HA 0.370 4.691 4.320 0.000 0.000 0.207 214 K C 2.456 179.115 176.600 0.099 0.000 1.045 214 K CA 1.475 57.815 56.287 0.089 0.000 0.937 214 K CB -1.104 31.452 32.500 0.094 0.000 0.720 214 K HN 0.428 nan 8.250 nan 0.000 0.438 215 A N 0.073 122.976 122.820 0.138 0.000 2.016 215 A HA 0.123 4.443 4.320 0.000 0.000 0.217 215 A C 0.707 178.352 177.584 0.101 0.000 1.162 215 A CA 1.054 53.166 52.037 0.124 0.000 0.662 215 A CB -0.341 18.757 19.000 0.164 0.000 0.812 215 A HN 0.413 nan 8.150 nan 0.000 0.450 216 L N -1.656 119.635 121.223 0.113 0.000 3.898 216 L HA -0.218 4.122 4.340 0.000 0.000 0.407 216 L C -0.104 176.820 176.870 0.090 0.000 1.207 216 L CA 0.143 55.038 54.840 0.092 0.000 0.931 216 L CB -1.822 40.278 42.059 0.068 0.000 2.014 216 L HN 0.450 nan 8.230 nan 0.000 0.858 217 R N 0.345 120.915 120.500 0.117 0.000 2.308 217 R HA 0.380 4.720 4.340 0.000 0.000 0.305 217 R C -0.079 176.287 176.300 0.111 0.000 1.053 217 R CA -0.847 55.311 56.100 0.096 0.000 0.957 217 R CB 0.692 31.039 30.300 0.078 0.000 1.022 217 R HN -0.017 nan 8.270 nan 0.000 0.461 218 D N 2.962 123.411 120.400 0.081 0.000 2.308 218 D HA 0.182 4.822 4.640 0.000 0.000 0.251 218 D C -0.591 175.763 176.300 0.089 0.000 1.127 218 D CA -0.056 53.993 54.000 0.082 0.000 0.876 218 D CB 0.823 41.661 40.800 0.063 0.000 1.176 218 D HN 0.269 nan 8.370 nan 0.000 0.446 219 L N 1.594 122.880 121.223 0.104 0.000 2.470 219 L HA 0.531 4.871 4.340 0.000 0.000 0.253 219 L C -2.598 174.331 176.870 0.097 0.000 1.163 219 L CA -1.805 53.102 54.840 0.112 0.000 0.932 219 L CB 0.677 42.834 42.059 0.163 0.000 1.213 219 L HN 0.052 nan 8.230 nan 0.000 0.485 220 P HA 0.158 nan 4.420 nan 0.000 0.272 220 P C -0.254 177.107 177.300 0.100 0.000 1.230 220 P CA -0.198 62.952 63.100 0.083 0.000 0.788 220 P CB 0.488 32.230 31.700 0.070 0.000 0.949 221 E N -0.740 119.527 120.200 0.111 0.000 3.117 221 E HA -0.098 4.252 4.350 0.000 0.000 0.156 221 E C -0.990 175.749 176.600 0.232 0.000 1.699 221 E CA -0.239 56.263 56.400 0.171 0.000 0.728 221 E CB -0.850 28.937 29.700 0.145 0.000 1.091 221 E HN 0.253 nan 8.360 nan 0.000 0.369 222 V N -0.371 119.626 119.914 0.139 0.000 3.074 222 V HA 1.028 5.148 4.120 0.000 0.000 0.314 222 V C -0.179 175.792 176.094 -0.204 0.000 1.117 222 V CA -0.283 62.009 62.300 -0.012 0.000 1.014 222 V CB 2.192 33.912 31.823 -0.171 0.000 1.057 222 V HN 0.710 nan 8.190 nan 0.000 0.438 223 A N 1.669 124.270 122.820 -0.365 0.000 2.459 223 A HA 0.843 5.163 4.320 0.000 0.000 0.296 223 A C -1.385 175.875 177.584 -0.539 0.000 1.039 223 A CA -0.388 51.379 52.037 -0.450 0.000 0.698 223 A CB 1.244 20.040 19.000 -0.340 0.000 1.261 223 A HN 0.796 nan 8.150 nan 0.000 0.405 224 F N 3.005 122.825 119.950 -0.217 0.000 2.350 224 F HA 0.318 4.845 4.527 0.000 0.000 0.365 224 F C 1.199 176.890 175.800 -0.181 0.000 1.122 224 F CA -0.332 57.571 58.000 -0.161 0.000 1.139 224 F CB 1.202 40.139 39.000 -0.106 0.000 1.220 224 F HN 0.541 nan 8.300 nan 0.000 0.499 225 L N 1.474 122.676 121.223 -0.035 0.000 2.291 225 L HA -0.084 4.256 4.340 0.000 0.000 0.214 225 L C 2.063 178.894 176.870 -0.065 0.000 1.120 225 L CA 0.628 55.419 54.840 -0.082 0.000 0.799 225 L CB -0.508 41.488 42.059 -0.105 0.000 0.925 225 L HN 0.655 nan 8.230 nan 0.000 0.446 226 S N -1.578 114.083 115.700 -0.064 0.000 2.981 226 S HA -0.076 4.395 4.470 0.000 0.000 0.235 226 S C 0.929 175.290 174.600 -0.398 0.000 0.983 226 S CA 0.232 58.317 58.200 -0.192 0.000 1.051 226 S CB -0.634 62.441 63.200 -0.208 0.000 0.814 226 S HN 0.458 nan 8.310 nan 0.000 0.518 227 H N -1.175 117.843 119.070 -0.086 0.000 3.182 227 H HA 0.300 4.856 4.556 0.000 0.000 0.254 227 H C -0.692 174.577 175.328 -0.099 0.000 1.197 227 H CA -0.638 55.350 56.048 -0.100 0.000 1.061 227 H CB 0.189 29.874 29.762 -0.129 0.000 1.722 227 H HN 0.410 nan 8.280 nan 0.000 0.662 228 C N 2.849 122.140 119.300 -0.015 0.000 2.136 228 C HA 0.171 4.631 4.460 0.000 0.000 0.381 228 C C 1.896 176.873 174.990 -0.022 0.000 1.039 228 C CA -0.417 58.586 59.018 -0.026 0.000 1.491 228 C CB -0.711 27.002 27.740 -0.045 0.000 1.663 228 C HN 0.450 nan 8.230 nan 0.000 0.470 229 K N 1.477 121.869 120.400 -0.014 0.000 2.044 229 K HA -0.191 4.129 4.320 0.000 0.000 0.210 229 K C 1.556 178.146 176.600 -0.017 0.000 1.049 229 K CA 2.038 58.314 56.287 -0.018 0.000 0.927 229 K CB -0.015 32.478 32.500 -0.012 0.000 0.713 229 K HN 0.749 nan 8.250 nan 0.000 0.443 230 D N 0.743 121.140 120.400 -0.005 0.000 2.371 230 D HA -0.146 4.495 4.640 0.000 0.000 0.221 230 D C 1.651 177.956 176.300 0.008 0.000 0.986 230 D CA 0.581 54.582 54.000 0.001 0.000 0.899 230 D CB -0.231 40.577 40.800 0.013 0.000 0.902 230 D HN 0.199 nan 8.370 nan 0.000 0.530 231 L N -0.332 120.895 121.223 0.007 0.000 2.307 231 L HA 0.219 4.559 4.340 0.000 0.000 0.211 231 L C 1.008 177.873 176.870 -0.008 0.000 1.099 231 L CA 0.436 55.287 54.840 0.019 0.000 0.816 231 L CB 0.072 42.143 42.059 0.020 0.000 0.952 231 L HN 0.024 nan 8.230 nan 0.000 0.455 232 A N 0.313 123.117 122.820 -0.028 0.000 3.173 232 A HA 0.382 4.702 4.320 0.000 0.000 0.304 232 A C -0.544 177.005 177.584 -0.059 0.000 1.318 232 A CA -0.363 51.646 52.037 -0.047 0.000 1.069 232 A CB -0.060 18.907 19.000 -0.056 0.000 1.147 232 A HN 0.203 nan 8.150 nan 0.000 0.547 233 Q N 1.174 120.936 119.800 -0.064 0.000 2.337 233 Q HA 0.385 4.726 4.340 0.000 0.000 0.270 233 Q C -0.896 175.030 176.000 -0.124 0.000 1.043 233 Q CA -0.448 55.307 55.803 -0.080 0.000 0.794 233 Q CB 2.324 31.030 28.738 -0.053 0.000 1.281 233 Q HN 0.538 nan 8.270 nan 0.000 0.446 234 I N 3.620 124.081 120.570 -0.181 0.000 2.291 234 I HA 0.327 4.497 4.170 0.000 0.000 0.290 234 I C 0.270 176.272 176.117 -0.193 0.000 1.050 234 I CA -0.123 60.995 61.300 -0.303 0.000 1.245 234 I CB 0.107 37.771 38.000 -0.561 0.000 1.405 234 I HN 0.276 nan 8.210 nan 0.000 0.478 235 R N 4.384 124.819 120.500 -0.108 0.000 2.637 235 R HA 0.515 4.855 4.340 0.000 0.000 0.291 235 R C -0.400 175.928 176.300 0.048 0.000 0.963 235 R CA -0.875 55.207 56.100 -0.029 0.000 0.901 235 R CB 2.385 32.671 30.300 -0.022 0.000 1.160 235 R HN 0.499 nan 8.270 nan 0.000 0.457 236 E N 1.061 121.301 120.200 0.067 0.000 2.283 236 E HA 0.182 4.532 4.350 0.000 0.000 0.278 236 E C -0.851 175.741 176.600 -0.013 0.000 1.027 236 E CA -0.065 56.377 56.400 0.070 0.000 0.843 236 E CB 1.642 31.392 29.700 0.083 0.000 1.062 236 E HN 0.400 nan 8.360 nan 0.000 0.401 237 T N 3.003 117.513 114.554 -0.074 0.000 2.903 237 T HA 0.301 4.651 4.350 0.000 0.000 0.299 237 T C -2.074 172.570 174.700 -0.093 0.000 1.093 237 T CA -2.143 59.918 62.100 -0.064 0.000 1.002 237 T CB 1.208 70.051 68.868 -0.041 0.000 1.127 237 T HN 0.189 nan 8.240 nan 0.000 0.488 238 P HA -0.216 nan 4.420 nan 0.000 0.225 238 P C 0.977 178.234 177.300 -0.072 0.000 1.154 238 P CA 1.890 64.954 63.100 -0.059 0.000 0.933 238 P CB 0.079 31.755 31.700 -0.039 0.000 0.790 239 D N -2.217 118.143 120.400 -0.067 0.000 2.301 239 D HA 0.077 4.717 4.640 0.000 0.000 0.206 239 D C 1.383 177.629 176.300 -0.090 0.000 0.979 239 D CA 1.528 55.492 54.000 -0.061 0.000 0.874 239 D CB 0.005 40.785 40.800 -0.034 0.000 0.968 239 D HN 0.304 nan 8.370 nan 0.000 0.510 240 G N -1.042 107.674 108.800 -0.139 0.000 3.074 240 G HA2 0.322 4.283 3.960 0.000 0.000 0.127 240 G HA3 0.322 4.283 3.960 0.000 0.000 0.127 240 G C -1.603 173.064 174.900 -0.389 0.000 1.216 240 G CA -0.717 44.241 45.100 -0.236 0.000 1.390 240 G HN 0.128 nan 8.290 nan 0.000 0.676 241 Y N 0.565 120.920 120.300 0.091 0.000 2.406 241 Y HA 0.558 5.108 4.550 0.001 0.000 0.340 241 Y C 0.507 176.407 175.900 0.001 0.000 0.975 241 Y CA -0.366 57.770 58.100 0.061 0.000 1.056 241 Y CB 2.698 41.261 38.460 0.173 0.000 1.210 241 Y HN 0.630 nan 8.280 nan 0.000 0.448 242 G N 4.196 113.060 108.800 0.106 0.000 3.058 242 G HA2 0.441 4.401 3.960 0.000 0.000 0.316 242 G HA3 0.441 4.401 3.960 0.000 0.000 0.316 242 G C -0.726 174.161 174.900 -0.023 0.000 0.951 242 G CA -0.300 44.816 45.100 0.026 0.000 1.535 242 G HN 0.445 nan 8.290 nan 0.000 0.500 243 I N 2.430 122.984 120.570 -0.027 0.000 2.436 243 I HA 0.241 4.411 4.170 0.000 0.000 0.289 243 I C 1.343 177.427 176.117 -0.054 0.000 1.083 243 I CA 0.042 61.298 61.300 -0.073 0.000 1.372 243 I CB 1.074 39.040 38.000 -0.057 0.000 1.408 243 I HN 0.322 nan 8.210 nan 0.000 0.516 244 G N 4.284 113.048 108.800 -0.060 0.000 2.569 244 G HA2 0.387 4.348 3.960 0.000 0.000 0.249 244 G HA3 0.387 4.348 3.960 0.000 0.000 0.249 244 G C 0.902 175.783 174.900 -0.031 0.000 1.216 244 G CA -0.031 45.048 45.100 -0.036 0.000 0.845 244 G HN 0.823 nan 8.290 nan 0.000 0.568 245 A N 0.444 123.259 122.820 -0.008 0.000 2.121 245 A HA 0.157 4.477 4.320 0.000 0.000 0.218 245 A C 2.286 179.863 177.584 -0.012 0.000 1.154 245 A CA 1.788 53.823 52.037 -0.002 0.000 0.679 245 A CB -0.210 18.811 19.000 0.035 0.000 0.795 245 A HN 0.984 nan 8.150 nan 0.000 0.458 246 G N -0.995 107.793 108.800 -0.020 0.000 2.939 246 G HA2 0.321 4.282 3.960 0.000 0.000 0.210 246 G HA3 0.321 4.282 3.960 0.000 0.000 0.210 246 G C 0.356 175.223 174.900 -0.055 0.000 1.160 246 G CA 0.145 45.222 45.100 -0.038 0.000 0.770 246 G HN 0.205 nan 8.290 nan 0.000 0.543 247 V N 2.766 122.644 119.914 -0.059 0.000 2.485 247 V HA 0.198 4.318 4.120 0.000 0.000 0.287 247 V C 1.225 177.273 176.094 -0.078 0.000 1.022 247 V CA 0.070 62.326 62.300 -0.073 0.000 1.067 247 V CB 0.207 31.979 31.823 -0.086 0.000 0.967 247 V HN 0.415 nan 8.190 nan 0.000 0.479 248 T N 3.850 118.358 114.554 -0.078 0.000 2.898 248 T HA 0.252 4.602 4.350 0.000 0.000 0.301 248 T C 1.321 175.954 174.700 -0.112 0.000 1.049 248 T CA -0.693 61.357 62.100 -0.084 0.000 1.095 248 T CB 0.751 69.578 68.868 -0.069 0.000 0.976 248 T HN 0.279 nan 8.240 nan 0.000 0.539 249 I N 1.880 122.351 120.570 -0.163 0.000 2.163 249 I HA -0.161 4.010 4.170 0.000 0.000 0.243 249 I C 3.004 179.030 176.117 -0.151 0.000 1.085 249 I CA 1.883 63.027 61.300 -0.260 0.000 1.347 249 I CB -2.174 35.503 38.000 -0.539 0.000 1.044 249 I HN 0.917 nan 8.210 nan 0.000 0.408 250 A N 1.048 123.815 122.820 -0.088 0.000 1.892 250 A HA -0.213 4.108 4.320 0.000 0.000 0.218 250 A C 2.586 180.144 177.584 -0.043 0.000 1.188 250 A CA 2.521 54.528 52.037 -0.050 0.000 0.631 250 A CB -0.876 18.105 19.000 -0.033 0.000 0.822 250 A HN 0.451 nan 8.150 nan 0.000 0.447 251 A N -0.788 122.004 122.820 -0.047 0.000 1.898 251 A HA 0.016 4.336 4.320 0.000 0.000 0.216 251 A C 2.138 179.721 177.584 -0.001 0.000 1.181 251 A CA 1.706 53.725 52.037 -0.030 0.000 0.620 251 A CB -0.616 18.356 19.000 -0.047 0.000 0.819 251 A HN 0.755 nan 8.150 nan 0.000 0.442 252 L N -0.020 121.187 121.223 -0.026 0.000 2.046 252 L HA -0.124 4.216 4.340 0.000 0.000 0.208 252 L C 2.418 179.316 176.870 0.046 0.000 1.077 252 L CA 2.409 57.260 54.840 0.019 0.000 0.747 252 L CB -0.658 41.371 42.059 -0.051 0.000 0.896 252 L HN 0.457 nan 8.230 nan 0.000 0.432 253 R N -0.587 119.899 120.500 -0.023 0.000 2.081 253 R HA -0.138 4.203 4.340 0.000 0.000 0.235 253 R C 2.125 178.408 176.300 -0.028 0.000 1.131 253 R CA 1.349 57.428 56.100 -0.035 0.000 0.960 253 R CB -0.384 29.888 30.300 -0.046 0.000 0.856 253 R HN 0.516 nan 8.270 nan 0.000 0.436 254 A N 0.426 123.242 122.820 -0.007 0.000 1.933 254 A HA -0.196 4.124 4.320 0.000 0.000 0.218 254 A C 1.913 179.504 177.584 0.011 0.000 1.175 254 A CA 1.315 53.349 52.037 -0.006 0.000 0.628 254 A CB -0.682 18.319 19.000 0.001 0.000 0.814 254 A HN 0.559 nan 8.150 nan 0.000 0.444 255 F N 0.816 120.708 119.950 -0.095 0.000 2.187 255 F HA 0.157 4.684 4.527 0.000 0.000 0.295 255 F C 2.337 178.060 175.800 -0.129 0.000 1.091 255 F CA 0.951 58.876 58.000 -0.126 0.000 1.308 255 F CB -0.460 38.448 39.000 -0.153 0.000 1.030 255 F HN 0.205 nan 8.300 nan 0.000 0.487 256 A N 0.088 122.702 122.820 -0.343 0.000 2.019 256 A HA -0.181 4.139 4.320 0.000 0.000 0.219 256 A C 1.983 179.387 177.584 -0.301 0.000 1.164 256 A CA 1.568 53.381 52.037 -0.374 0.000 0.644 256 A CB -0.944 17.992 19.000 -0.107 0.000 0.805 256 A HN 0.486 nan 8.150 nan 0.000 0.449 257 E N -0.261 119.806 120.200 -0.222 0.000 2.187 257 E HA -0.150 4.200 4.350 0.000 0.000 0.199 257 E C 1.825 178.309 176.600 -0.192 0.000 1.004 257 E CA 1.491 57.794 56.400 -0.162 0.000 0.813 257 E CB -0.346 29.282 29.700 -0.119 0.000 0.736 257 E HN 0.596 nan 8.360 nan 0.000 0.468 258 G N 0.166 108.791 108.800 -0.291 0.000 2.655 258 G HA2 -0.065 3.895 3.960 0.000 0.000 0.217 258 G HA3 -0.065 3.895 3.960 0.000 0.000 0.217 258 G C -0.845 173.882 174.900 -0.288 0.000 1.279 258 G CA 0.464 45.404 45.100 -0.266 0.000 0.870 258 G HN 0.258 nan 8.290 nan 0.000 0.560 259 P HA -0.015 nan 4.420 nan 0.000 0.221 259 P C -0.333 176.615 177.300 -0.587 0.000 1.150 259 P CA 1.065 63.903 63.100 -0.437 0.000 0.800 259 P CB 0.028 31.462 31.700 -0.443 0.000 0.787 260 H N -1.355 117.579 119.070 -0.227 0.000 2.439 260 H HA 0.264 4.820 4.556 0.000 0.000 0.228 260 H C -1.987 173.258 175.328 -0.139 0.000 1.423 260 H CA -1.544 54.417 56.048 -0.143 0.000 1.386 260 H CB 0.893 30.584 29.762 -0.119 0.000 1.641 260 H HN 0.012 nan 8.280 nan 0.000 0.508 261 P HA -0.200 nan 4.420 nan 0.000 0.219 261 P C 1.546 178.829 177.300 -0.028 0.000 1.146 261 P CA 1.309 64.379 63.100 -0.050 0.000 0.808 261 P CB 0.380 32.047 31.700 -0.055 0.000 0.779 262 A N -0.596 122.221 122.820 -0.005 0.000 1.902 262 A HA -0.185 4.135 4.320 0.000 0.000 0.217 262 A C 2.147 179.709 177.584 -0.037 0.000 1.181 262 A CA 1.541 53.564 52.037 -0.023 0.000 0.623 262 A CB -1.611 17.385 19.000 -0.008 0.000 0.818 262 A HN 0.188 nan 8.150 nan 0.000 0.443 263 L N -0.514 120.696 121.223 -0.021 0.000 2.056 263 L HA 0.014 4.354 4.340 0.000 0.000 0.207 263 L C 2.737 179.583 176.870 -0.039 0.000 1.078 263 L CA 1.949 56.761 54.840 -0.046 0.000 0.749 263 L CB -0.629 41.388 42.059 -0.070 0.000 0.901 263 L HN 0.347 nan 8.230 nan 0.000 0.433 264 A N -0.267 122.529 122.820 -0.040 0.000 1.873 264 A HA -0.166 4.154 4.320 0.000 0.000 0.218 264 A C 2.359 179.924 177.584 -0.031 0.000 1.193 264 A CA 1.912 53.922 52.037 -0.046 0.000 0.629 264 A CB -1.777 17.184 19.000 -0.064 0.000 0.826 264 A HN 0.535 nan 8.150 nan 0.000 0.447 265 G N -0.139 108.642 108.800 -0.032 0.000 2.553 265 G HA2 -0.291 3.669 3.960 0.000 0.000 0.218 265 G HA3 -0.291 3.669 3.960 0.000 0.000 0.218 265 G C 1.556 176.453 174.900 -0.005 0.000 1.195 265 G CA 1.453 46.539 45.100 -0.023 0.000 0.779 265 G HN 0.593 nan 8.290 nan 0.000 0.577 266 L N 0.378 121.597 121.223 -0.007 0.000 1.990 266 L HA -0.021 4.319 4.340 0.000 0.000 0.213 266 L C 2.762 179.670 176.870 0.064 0.000 1.072 266 L CA 1.546 56.400 54.840 0.023 0.000 0.755 266 L CB -0.353 41.709 42.059 0.005 0.000 0.889 266 L HN 0.246 nan 8.230 nan 0.000 0.432 267 L N -0.549 120.699 121.223 0.042 0.000 2.353 267 L HA -0.172 4.168 4.340 0.000 0.000 0.220 267 L C 2.693 179.616 176.870 0.088 0.000 1.133 267 L CA 0.637 55.513 54.840 0.061 0.000 0.798 267 L CB -0.632 41.403 42.059 -0.041 0.000 0.922 267 L HN 0.355 nan 8.230 nan 0.000 0.445 268 R N 1.145 121.676 120.500 0.052 0.000 2.120 268 R HA -0.119 4.221 4.340 0.000 0.000 0.234 268 R C 1.519 177.865 176.300 0.077 0.000 1.123 268 R CA 1.351 57.479 56.100 0.045 0.000 0.975 268 R CB -0.021 30.286 30.300 0.012 0.000 0.866 268 R HN 0.338 nan 8.270 nan 0.000 0.446 269 R N -0.662 119.894 120.500 0.095 0.000 2.426 269 R HA 0.082 4.422 4.340 0.000 0.000 0.263 269 R C -0.409 175.968 176.300 0.129 0.000 0.961 269 R CA -0.347 55.813 56.100 0.100 0.000 1.086 269 R CB 0.052 30.408 30.300 0.094 0.000 1.186 269 R HN -0.003 nan 8.270 nan 0.000 0.537 270 F N 1.759 121.717 119.950 0.013 0.000 2.413 270 F HA 0.337 4.864 4.527 0.000 0.000 0.359 270 F C 0.802 176.607 175.800 0.009 0.000 1.122 270 F CA -0.137 57.871 58.000 0.012 0.000 1.160 270 F CB 0.229 39.233 39.000 0.006 0.000 1.146 270 F HN 0.266 nan 8.300 nan 0.000 0.514 271 A N 3.149 125.843 122.820 -0.211 0.000 5.813 271 A HA -0.229 4.091 4.320 0.000 0.000 0.291 271 A C 0.400 177.993 177.584 0.015 0.000 1.970 271 A CA 0.909 52.875 52.037 -0.119 0.000 0.717 271 A CB -2.130 16.801 19.000 -0.115 0.000 1.222 271 A HN 1.455 nan 8.150 nan 0.000 0.377 272 S N -1.125 114.590 115.700 0.025 0.000 2.745 272 S HA 0.573 5.043 4.470 0.000 0.000 0.292 272 S C 0.676 175.302 174.600 0.043 0.000 1.133 272 S CA 0.671 58.884 58.200 0.023 0.000 0.998 272 S CB 1.631 64.828 63.200 -0.006 0.000 1.087 272 S HN 1.296 nan 8.310 nan 0.000 0.551 273 E N 0.526 120.737 120.200 0.019 0.000 2.110 273 E HA -0.174 4.176 4.350 0.000 0.000 0.193 273 E C 1.778 178.382 176.600 0.007 0.000 0.988 273 E CA 1.697 58.106 56.400 0.014 0.000 0.804 273 E CB -0.447 29.253 29.700 -0.000 0.000 0.745 273 E HN 0.724 nan 8.360 nan 0.000 0.458 274 Q N -0.956 118.841 119.800 -0.005 0.000 2.311 274 Q HA 0.055 4.395 4.340 0.000 0.000 0.203 274 Q C 2.038 178.037 176.000 -0.002 0.000 0.954 274 Q CA 0.948 56.742 55.803 -0.014 0.000 0.885 274 Q CB 0.253 28.971 28.738 -0.033 0.000 0.963 274 Q HN 0.165 nan 8.270 nan 0.000 0.471 275 V N -0.024 119.903 119.914 0.022 0.000 2.599 275 V HA -0.087 4.033 4.120 0.000 0.000 0.245 275 V C 2.016 178.164 176.094 0.089 0.000 1.046 275 V CA 1.119 63.447 62.300 0.048 0.000 1.065 275 V CB -0.248 31.607 31.823 0.053 0.000 0.703 275 V HN 0.228 nan 8.190 nan 0.000 0.464 276 R N -0.057 120.507 120.500 0.107 0.000 2.127 276 R HA -0.157 4.183 4.340 0.000 0.000 0.238 276 R C 2.125 178.432 176.300 0.012 0.000 1.134 276 R CA 1.083 57.234 56.100 0.086 0.000 0.975 276 R CB -0.129 30.219 30.300 0.080 0.000 0.865 276 R HN 0.452 nan 8.270 nan 0.000 0.447 277 Q N -0.211 119.590 119.800 0.002 0.000 2.482 277 Q HA -0.039 4.302 4.340 0.000 0.000 0.209 277 Q C 1.612 177.591 176.000 -0.035 0.000 0.961 277 Q CA 0.880 56.669 55.803 -0.023 0.000 0.945 277 Q CB 0.827 29.549 28.738 -0.027 0.000 1.012 277 Q HN 0.384 nan 8.270 nan 0.000 0.515 278 V N -5.193 114.707 119.914 -0.023 0.000 3.229 278 V HA 0.446 4.566 4.120 0.000 0.000 0.239 278 V C 0.869 176.949 176.094 -0.023 0.000 1.390 278 V CA 0.134 62.413 62.300 -0.036 0.000 1.231 278 V CB -0.418 31.381 31.823 -0.040 0.000 1.025 278 V HN -0.011 nan 8.190 nan 0.000 0.461 279 A N 2.823 125.652 122.820 0.014 0.000 2.488 279 A HA 0.582 4.902 4.320 0.000 0.000 0.249 279 A C 0.621 178.199 177.584 -0.010 0.000 1.083 279 A CA 0.800 52.861 52.037 0.040 0.000 0.768 279 A CB -0.296 18.796 19.000 0.154 0.000 1.017 279 A HN 0.886 nan 8.150 nan 0.000 0.496 280 T N 0.373 114.920 114.554 -0.013 0.000 2.929 280 T HA 0.424 4.775 4.350 0.000 0.000 0.284 280 T C 1.056 175.730 174.700 -0.044 0.000 1.014 280 T CA -0.379 61.695 62.100 -0.043 0.000 1.051 280 T CB 0.955 69.803 68.868 -0.033 0.000 1.028 280 T HN 0.548 nan 8.240 nan 0.000 0.485 281 I N 2.444 122.968 120.570 -0.078 0.000 2.208 281 I HA 0.061 4.231 4.170 0.000 0.000 0.245 281 I C 2.302 178.419 176.117 -0.000 0.000 1.097 281 I CA 2.070 63.330 61.300 -0.066 0.000 1.363 281 I CB -1.003 36.950 38.000 -0.078 0.000 1.051 281 I HN 0.930 nan 8.210 nan 0.000 0.413 282 G N -0.265 108.534 108.800 -0.002 0.000 2.433 282 G HA2 -0.211 3.750 3.960 0.000 0.000 0.216 282 G HA3 -0.211 3.750 3.960 0.000 0.000 0.216 282 G C 1.713 176.647 174.900 0.057 0.000 1.186 282 G CA 0.581 45.691 45.100 0.016 0.000 0.779 282 G HN 0.563 nan 8.290 nan 0.000 0.543 283 G N 0.173 109.005 108.800 0.054 0.000 2.470 283 G HA2 -0.231 3.729 3.960 0.000 0.000 0.220 283 G HA3 -0.231 3.729 3.960 0.000 0.000 0.220 283 G C 1.558 176.536 174.900 0.130 0.000 1.121 283 G CA 1.052 46.200 45.100 0.080 0.000 0.766 283 G HN 0.530 nan 8.290 nan 0.000 0.553 284 N N 0.216 118.999 118.700 0.138 0.000 2.135 284 N HA -0.028 4.713 4.740 0.000 0.000 0.186 284 N C 2.242 177.904 175.510 0.254 0.000 1.027 284 N CA 0.647 53.819 53.050 0.203 0.000 0.849 284 N CB -0.066 38.538 38.487 0.195 0.000 1.002 284 N HN 0.316 nan 8.380 nan 0.000 0.425 285 I N 1.379 122.094 120.570 0.240 0.000 2.226 285 I HA -0.196 3.974 4.170 0.000 0.000 0.245 285 I C 2.456 178.829 176.117 0.426 0.000 1.100 285 I CA 1.080 62.596 61.300 0.360 0.000 1.374 285 I CB -0.220 37.889 38.000 0.182 0.000 1.057 285 I HN 0.164 nan 8.210 nan 0.000 0.413 286 A N 0.334 123.328 122.820 0.290 0.000 2.067 286 A HA -0.213 4.107 4.320 0.000 0.000 0.219 286 A C 2.009 179.781 177.584 0.313 0.000 1.158 286 A CA 1.845 54.075 52.037 0.322 0.000 0.661 286 A CB -0.732 18.394 19.000 0.210 0.000 0.801 286 A HN 0.453 nan 8.150 nan 0.000 0.452 287 N N -0.196 118.676 118.700 0.287 0.000 2.188 287 N HA -0.002 4.738 4.740 0.000 0.000 0.184 287 N C 1.252 176.938 175.510 0.293 0.000 1.018 287 N CA 1.704 54.917 53.050 0.272 0.000 0.858 287 N CB -0.343 38.282 38.487 0.231 0.000 0.989 287 N HN 0.629 nan 8.380 nan 0.000 0.426 288 G N -0.428 108.606 108.800 0.390 0.000 2.179 288 G HA2 -0.290 3.671 3.960 0.000 0.000 0.257 288 G HA3 -0.290 3.671 3.960 0.000 0.000 0.257 288 G C -0.004 175.061 174.900 0.275 0.000 1.010 288 G CA 0.796 46.178 45.100 0.470 0.000 0.736 288 G HN 0.635 nan 8.290 nan 0.000 0.513 289 S N 0.656 116.484 115.700 0.214 0.000 2.531 289 S HA 0.478 4.948 4.470 0.000 0.000 0.279 289 S C 0.293 174.945 174.600 0.088 0.000 1.305 289 S CA -0.468 57.838 58.200 0.177 0.000 1.058 289 S CB 1.179 64.471 63.200 0.153 0.000 0.899 289 S HN 0.173 nan 8.310 nan 0.000 0.493 290 P HA -0.065 nan 4.420 nan 0.000 0.220 290 P C 1.063 178.352 177.300 -0.018 0.000 1.148 290 P CA 1.076 64.180 63.100 0.007 0.000 0.803 290 P CB -0.307 31.394 31.700 0.003 0.000 0.782 291 I N -3.385 117.191 120.570 0.009 0.000 3.806 291 I HA 0.354 4.524 4.170 0.000 0.000 0.321 291 I C 0.691 176.810 176.117 0.004 0.000 1.315 291 I CA -0.559 60.740 61.300 -0.003 0.000 1.148 291 I CB -0.649 37.348 38.000 -0.004 0.000 1.028 291 I HN -0.277 nan 8.210 nan 0.000 0.415 292 G N 1.129 109.942 108.800 0.021 0.000 2.406 292 G HA2 0.107 4.067 3.960 0.000 0.000 0.251 292 G HA3 0.107 4.067 3.960 0.000 0.000 0.251 292 G C 0.129 175.074 174.900 0.076 0.000 1.271 292 G CA -0.256 44.882 45.100 0.063 0.000 0.859 292 G HN 0.243 nan 8.290 nan 0.000 0.540 293 D N 1.691 122.187 120.400 0.161 0.000 2.354 293 D HA 0.001 4.642 4.640 0.000 0.000 0.209 293 D C 2.275 178.693 176.300 0.197 0.000 1.015 293 D CA 0.778 54.889 54.000 0.186 0.000 0.867 293 D CB 0.411 41.362 40.800 0.253 0.000 0.933 293 D HN 0.496 nan 8.370 nan 0.000 0.520 294 G N 2.442 111.378 108.800 0.227 0.000 2.637 294 G HA2 -0.182 3.779 3.960 0.000 0.000 0.215 294 G HA3 -0.182 3.779 3.960 0.000 0.000 0.215 294 G C -0.805 174.142 174.900 0.077 0.000 1.289 294 G CA 0.518 45.687 45.100 0.115 0.000 0.816 294 G HN 0.187 nan 8.290 nan 0.000 0.580 295 P HA -0.149 nan 4.420 nan 0.000 0.216 295 P C -1.269 176.049 177.300 0.031 0.000 1.167 295 P CA 2.722 65.873 63.100 0.086 0.000 0.933 295 P CB -0.975 30.684 31.700 -0.068 0.000 0.793 296 P HA -0.184 nan 4.420 nan 0.000 0.216 296 P C 1.426 178.696 177.300 -0.050 0.000 1.150 296 P CA 2.255 65.330 63.100 -0.042 0.000 0.843 296 P CB -0.723 30.932 31.700 -0.075 0.000 0.787 297 A N -0.288 122.506 122.820 -0.042 0.000 1.883 297 A HA -0.176 4.144 4.320 0.000 0.000 0.217 297 A C 2.157 179.707 177.584 -0.056 0.000 1.186 297 A CA 1.518 53.520 52.037 -0.059 0.000 0.624 297 A CB -1.592 17.380 19.000 -0.046 0.000 0.822 297 A HN 0.051 nan 8.150 nan 0.000 0.444 298 L N -0.359 120.848 121.223 -0.026 0.000 2.017 298 L HA -0.141 4.199 4.340 0.000 0.000 0.208 298 L C 2.563 179.434 176.870 0.001 0.000 1.073 298 L CA 1.683 56.510 54.840 -0.021 0.000 0.745 298 L CB -1.397 40.673 42.059 0.018 0.000 0.894 298 L HN 0.407 nan 8.230 nan 0.000 0.432 299 I N 0.101 120.691 120.570 0.033 0.000 2.248 299 I HA -0.312 3.859 4.170 0.000 0.000 0.248 299 I C 2.672 178.798 176.117 0.016 0.000 1.107 299 I CA 1.330 62.660 61.300 0.051 0.000 1.373 299 I CB -0.386 37.662 38.000 0.079 0.000 1.055 299 I HN 0.196 nan 8.210 nan 0.000 0.418 300 A N 1.181 123.988 122.820 -0.021 0.000 1.929 300 A HA -0.166 4.155 4.320 0.000 0.000 0.216 300 A C 2.311 179.877 177.584 -0.030 0.000 1.176 300 A CA 1.603 53.615 52.037 -0.042 0.000 0.628 300 A CB -0.550 18.395 19.000 -0.091 0.000 0.816 300 A HN 0.596 nan 8.150 nan 0.000 0.444 301 M N -2.679 116.900 119.600 -0.035 0.000 2.556 301 M HA 0.411 4.891 4.480 0.000 0.000 0.245 301 M C 0.994 177.295 176.300 0.001 0.000 1.128 301 M CA 0.846 56.133 55.300 -0.021 0.000 1.069 301 M CB 0.089 32.648 32.600 -0.069 0.000 1.469 301 M HN 0.694 nan 8.290 nan 0.000 0.494 302 G N 1.607 110.410 108.800 0.005 0.000 2.303 302 G HA2 -0.039 3.921 3.960 0.000 0.000 0.260 302 G HA3 -0.039 3.921 3.960 0.000 0.000 0.260 302 G C -0.067 174.845 174.900 0.021 0.000 1.106 302 G CA -0.046 45.066 45.100 0.020 0.000 0.900 302 G HN 0.970 nan 8.290 nan 0.000 0.495 303 A N 0.097 122.927 122.820 0.016 0.000 2.354 303 A HA 0.841 5.161 4.320 0.000 0.000 0.269 303 A C 0.915 178.510 177.584 0.018 0.000 1.109 303 A CA 0.661 52.707 52.037 0.015 0.000 0.800 303 A CB 0.635 19.638 19.000 0.005 0.000 1.045 303 A HN 2.032 nan 8.150 nan 0.000 0.489 304 S N 1.391 117.094 115.700 0.006 0.000 2.565 304 S HA 0.651 5.121 4.470 0.000 0.000 0.290 304 S C -0.549 174.028 174.600 -0.038 0.000 1.150 304 S CA -0.671 57.524 58.200 -0.009 0.000 1.058 304 S CB 1.195 64.389 63.200 -0.010 0.000 1.032 304 S HN 1.139 nan 8.310 nan 0.000 0.510 305 L N 1.874 123.054 121.223 -0.072 0.000 2.325 305 L HA 0.709 5.049 4.340 0.000 0.000 0.278 305 L C -0.570 176.212 176.870 -0.147 0.000 1.023 305 L CA 0.126 54.881 54.840 -0.142 0.000 0.811 305 L CB 1.995 43.905 42.059 -0.249 0.000 1.249 305 L HN 0.846 nan 8.230 nan 0.000 0.431 306 T N 5.899 120.358 114.554 -0.159 0.000 2.792 306 T HA 0.615 4.965 4.350 0.000 0.000 0.280 306 T C -0.454 174.115 174.700 -0.217 0.000 0.990 306 T CA -0.325 61.683 62.100 -0.153 0.000 0.960 306 T CB 0.907 69.709 68.868 -0.111 0.000 0.939 306 T HN 0.457 nan 8.240 nan 0.000 0.439 307 L N 2.843 123.933 121.223 -0.222 0.000 2.330 307 L HA 0.694 5.035 4.340 0.000 0.000 0.271 307 L C 0.293 176.967 176.870 -0.328 0.000 1.013 307 L CA -1.066 53.602 54.840 -0.287 0.000 0.816 307 L CB 1.847 43.786 42.059 -0.199 0.000 1.287 307 L HN 0.328 nan 8.230 nan 0.000 0.435 308 R N 0.978 121.136 120.500 -0.570 0.000 2.561 308 R HA 0.382 4.723 4.340 0.000 0.000 0.297 308 R C -0.255 175.839 176.300 -0.344 0.000 0.969 308 R CA -0.736 55.052 56.100 -0.519 0.000 0.879 308 R CB 2.277 32.160 30.300 -0.694 0.000 1.178 308 R HN 0.483 nan 8.270 nan 0.000 0.445 309 R N 1.852 122.301 120.500 -0.085 0.000 2.652 309 R HA 0.181 4.521 4.340 0.000 0.000 0.372 309 R C 0.252 176.612 176.300 0.101 0.000 1.104 309 R CA 0.696 56.824 56.100 0.047 0.000 1.072 309 R CB 0.602 30.911 30.300 0.016 0.000 1.367 309 R HN 1.050 nan 8.270 nan 0.000 0.577 310 G N 0.719 109.615 108.800 0.161 0.000 2.792 310 G HA2 -0.260 3.700 3.960 0.000 0.000 0.201 310 G HA3 -0.260 3.700 3.960 0.000 0.000 0.201 310 G C 0.615 175.588 174.900 0.120 0.000 1.322 310 G CA 0.151 45.352 45.100 0.168 0.000 0.910 310 G HN 0.365 nan 8.290 nan 0.000 0.535 311 Q N 0.566 120.405 119.800 0.064 0.000 2.043 311 Q HA 0.316 4.657 4.340 0.000 0.000 0.219 311 Q C 0.241 176.249 176.000 0.014 0.000 0.762 311 Q CA 0.186 56.015 55.803 0.044 0.000 0.943 311 Q CB 0.633 29.393 28.738 0.038 0.000 1.194 311 Q HN 0.540 nan 8.270 nan 0.000 0.447 312 E N 0.543 120.744 120.200 0.002 0.000 2.349 312 E HA 0.359 4.710 4.350 0.000 0.000 0.262 312 E C -0.556 176.016 176.600 -0.047 0.000 1.088 312 E CA -0.156 56.233 56.400 -0.018 0.000 0.899 312 E CB 1.048 30.737 29.700 -0.017 0.000 1.044 312 E HN 0.064 nan 8.360 nan 0.000 0.420 313 R N 1.197 121.668 120.500 -0.048 0.000 2.538 313 R HA 0.373 4.713 4.340 0.000 0.000 0.292 313 R C -0.317 175.948 176.300 -0.059 0.000 1.008 313 R CA -0.511 55.547 56.100 -0.070 0.000 0.896 313 R CB 1.907 32.170 30.300 -0.061 0.000 1.187 313 R HN 0.296 nan 8.270 nan 0.000 0.440 314 R N 1.524 121.980 120.500 -0.074 0.000 2.787 314 R HA 0.552 4.893 4.340 0.000 0.000 0.271 314 R C -0.529 175.731 176.300 -0.066 0.000 0.993 314 R CA -0.919 55.148 56.100 -0.055 0.000 0.993 314 R CB 2.070 32.345 30.300 -0.042 0.000 1.155 314 R HN 0.329 nan 8.270 nan 0.000 0.486 315 R N 2.588 123.060 120.500 -0.046 0.000 2.518 315 R HA 0.300 4.640 4.340 0.000 0.000 0.287 315 R C -1.143 175.140 176.300 -0.028 0.000 1.135 315 R CA -0.410 55.661 56.100 -0.048 0.000 0.967 315 R CB 1.292 31.568 30.300 -0.041 0.000 1.212 315 R HN 0.598 nan 8.270 nan 0.000 0.422 316 M N 2.254 121.837 119.600 -0.029 0.000 2.619 316 M HA 0.672 5.152 4.480 0.000 0.000 0.297 316 M C -2.903 173.398 176.300 0.001 0.000 1.229 316 M CA -2.490 52.809 55.300 -0.001 0.000 0.860 316 M CB 2.045 34.658 32.600 0.022 0.000 1.741 316 M HN 0.153 nan 8.290 nan 0.000 0.462 317 P HA 0.104 nan 4.420 nan 0.000 0.268 317 P C 0.809 178.149 177.300 0.067 0.000 1.204 317 P CA -0.308 62.815 63.100 0.039 0.000 0.768 317 P CB 0.462 32.190 31.700 0.048 0.000 0.842 318 L N 4.286 125.556 121.223 0.078 0.000 2.051 318 L HA -0.262 4.078 4.340 0.000 0.000 0.214 318 L C 2.183 179.210 176.870 0.262 0.000 1.076 318 L CA 1.981 56.899 54.840 0.130 0.000 0.758 318 L CB -1.029 41.134 42.059 0.173 0.000 0.890 318 L HN 0.484 nan 8.230 nan 0.000 0.433 319 E N -1.429 118.938 120.200 0.278 0.000 2.209 319 E HA -0.278 4.072 4.350 0.000 0.000 0.196 319 E C 1.341 178.124 176.600 0.305 0.000 0.993 319 E CA 1.661 58.276 56.400 0.357 0.000 0.819 319 E CB -0.760 29.076 29.700 0.226 0.000 0.745 319 E HN 0.555 nan 8.360 nan 0.000 0.477 320 D N 0.057 120.569 120.400 0.187 0.000 2.312 320 D HA -0.059 4.582 4.640 0.000 0.000 0.211 320 D C 1.380 177.745 176.300 0.109 0.000 0.964 320 D CA 0.379 54.458 54.000 0.131 0.000 0.877 320 D CB -0.421 40.434 40.800 0.091 0.000 0.924 320 D HN 0.201 nan 8.370 nan 0.000 0.515 321 F N 0.397 120.261 119.950 -0.144 0.000 2.407 321 F HA 0.056 4.583 4.527 0.000 0.000 0.299 321 F C 0.224 175.786 175.800 -0.397 0.000 1.097 321 F CA 0.308 58.099 58.000 -0.348 0.000 1.422 321 F CB -0.098 38.550 39.000 -0.586 0.000 1.067 321 F HN -0.267 nan 8.300 nan 0.000 0.539 322 F N 1.559 121.529 119.950 0.034 0.000 2.334 322 F HA 0.257 4.784 4.527 0.000 0.000 0.365 322 F C 0.761 176.551 175.800 -0.016 0.000 1.124 322 F CA -0.573 57.406 58.000 -0.035 0.000 1.166 322 F CB 0.386 39.432 39.000 0.076 0.000 1.355 322 F HN -0.179 nan 8.300 nan 0.000 0.532 323 L N 0.218 121.473 121.223 0.053 0.000 2.046 323 L HA 0.172 4.512 4.340 0.000 0.000 0.203 323 L C 1.020 177.939 176.870 0.082 0.000 1.111 323 L CA 0.636 55.504 54.840 0.045 0.000 0.769 323 L CB -0.206 41.842 42.059 -0.018 0.000 0.914 323 L HN 0.389 nan 8.230 nan 0.000 0.448 324 E N -1.518 118.722 120.200 0.067 0.000 2.405 324 E HA 0.185 4.536 4.350 0.000 0.000 0.249 324 E C -1.136 175.559 176.600 0.158 0.000 1.028 324 E CA -0.827 55.632 56.400 0.098 0.000 0.897 324 E CB 0.861 30.598 29.700 0.061 0.000 1.262 324 E HN 0.030 nan 8.360 nan 0.000 0.442 325 Y N 1.630 121.955 120.300 0.042 0.000 2.425 325 Y HA 0.130 4.680 4.550 0.000 0.000 0.331 325 Y C 0.224 176.145 175.900 0.035 0.000 1.157 325 Y CA 0.238 58.364 58.100 0.044 0.000 1.372 325 Y CB 0.306 38.786 38.460 0.034 0.000 1.253 325 Y HN 0.613 nan 8.280 nan 0.000 0.536 326 R N 1.859 122.109 120.500 -0.417 0.000 3.847 326 R HA -0.282 4.058 4.340 0.000 0.000 0.304 326 R C -0.643 175.552 176.300 -0.176 0.000 1.203 326 R CA 1.368 57.236 56.100 -0.388 0.000 0.835 326 R CB -1.309 28.616 30.300 -0.625 0.000 1.253 326 R HN 0.615 nan 8.270 nan 0.000 0.516 327 K N 0.919 121.265 120.400 -0.091 0.000 2.471 327 K HA 0.330 4.651 4.320 0.000 0.000 0.252 327 K C -0.898 175.625 176.600 -0.128 0.000 0.938 327 K CA -0.612 55.623 56.287 -0.087 0.000 0.796 327 K CB 1.510 33.976 32.500 -0.057 0.000 1.161 327 K HN -0.111 nan 8.250 nan 0.000 0.425 328 Q N 1.042 120.701 119.800 -0.235 0.000 2.416 328 Q HA 0.245 4.585 4.340 0.000 0.000 0.279 328 Q C -1.285 174.437 176.000 -0.463 0.000 1.101 328 Q CA -0.655 54.818 55.803 -0.548 0.000 0.830 328 Q CB 1.656 29.890 28.738 -0.840 0.000 1.402 328 Q HN 0.470 nan 8.270 nan 0.000 0.445 329 D N 1.049 121.073 120.400 -0.628 0.000 2.713 329 D HA 0.105 4.745 4.640 0.000 0.000 0.229 329 D C -0.920 175.393 176.300 0.022 0.000 1.136 329 D CA -0.048 53.835 54.000 -0.196 0.000 1.010 329 D CB -0.048 40.726 40.800 -0.043 0.000 1.084 329 D HN 0.241 nan 8.370 nan 0.000 0.495 330 R N 1.765 122.266 120.500 0.001 0.000 2.388 330 R HA 0.360 4.701 4.340 0.000 0.000 0.314 330 R C -0.175 176.183 176.300 0.097 0.000 0.959 330 R CA -0.719 55.478 56.100 0.162 0.000 0.851 330 R CB 0.738 31.159 30.300 0.200 0.000 1.168 330 R HN 0.038 nan 8.270 nan 0.000 0.472 331 R N 4.087 124.646 120.500 0.097 0.000 2.594 331 R HA 0.168 4.509 4.340 0.000 0.000 0.272 331 R C -2.004 174.331 176.300 0.058 0.000 1.074 331 R CA -1.512 54.621 56.100 0.055 0.000 1.105 331 R CB 0.369 30.692 30.300 0.039 0.000 1.008 331 R HN 0.470 nan 8.270 nan 0.000 0.472 332 P HA -0.050 nan 4.420 nan 0.000 0.260 332 P C 0.324 177.569 177.300 -0.091 0.000 1.207 332 P CA 0.806 63.882 63.100 -0.040 0.000 0.780 332 P CB 0.377 32.041 31.700 -0.060 0.000 0.789 333 G N 2.001 110.690 108.800 -0.185 0.000 2.141 333 G HA2 -0.222 3.738 3.960 0.000 0.000 0.231 333 G HA3 -0.222 3.738 3.960 0.000 0.000 0.231 333 G C -0.100 174.887 174.900 0.144 0.000 0.984 333 G CA -0.152 44.768 45.100 -0.300 0.000 0.660 333 G HN 0.622 nan 8.290 nan 0.000 0.525 334 E N -0.072 120.306 120.200 0.297 0.000 2.179 334 E HA 0.700 5.050 4.350 0.000 0.000 0.275 334 E C -0.004 176.887 176.600 0.486 0.000 0.945 334 E CA -1.246 55.339 56.400 0.307 0.000 0.792 334 E CB 0.766 30.549 29.700 0.138 0.000 1.125 334 E HN 0.533 nan 8.360 nan 0.000 0.397 335 F N 1.271 121.351 119.950 0.216 0.000 2.611 335 F HA 0.606 5.133 4.527 0.001 0.000 0.324 335 F C -1.192 174.610 175.800 0.003 0.000 1.061 335 F CA -1.348 56.694 58.000 0.070 0.000 0.954 335 F CB 0.605 39.556 39.000 -0.083 0.000 1.301 335 F HN 0.067 nan 8.300 nan 0.000 0.482 336 V N 2.073 122.041 119.914 0.090 0.000 2.508 336 V HA 0.094 4.215 4.120 0.000 0.000 0.281 336 V C 0.714 176.827 176.094 0.032 0.000 1.041 336 V CA 0.199 62.452 62.300 -0.079 0.000 1.016 336 V CB 0.857 32.628 31.823 -0.086 0.000 0.984 336 V HN 1.051 nan 8.190 nan 0.000 0.478 337 E N 3.133 123.255 120.200 -0.130 0.000 2.206 337 E HA 0.109 4.459 4.350 0.000 0.000 0.195 337 E C 0.622 177.217 176.600 -0.009 0.000 0.935 337 E CA 0.846 57.236 56.400 -0.017 0.000 0.875 337 E CB 0.793 30.410 29.700 -0.138 0.000 0.841 337 E HN 0.839 nan 8.360 nan 0.000 0.477 338 S N -0.729 114.930 115.700 -0.067 0.000 2.611 338 S HA 0.468 4.938 4.470 0.000 0.000 0.268 338 S C -0.922 173.632 174.600 -0.076 0.000 1.156 338 S CA -0.570 57.596 58.200 -0.055 0.000 0.817 338 S CB 1.595 64.772 63.200 -0.039 0.000 1.122 338 S HN 0.143 nan 8.310 nan 0.000 0.466 339 V N -1.064 118.818 119.914 -0.053 0.000 2.735 339 V HA 0.871 4.991 4.120 0.000 0.000 0.310 339 V C -0.409 175.679 176.094 -0.011 0.000 1.061 339 V CA -0.522 61.752 62.300 -0.043 0.000 0.913 339 V CB 1.260 33.062 31.823 -0.035 0.000 1.005 339 V HN 0.968 nan 8.190 nan 0.000 0.428 340 T N 6.091 120.644 114.554 -0.001 0.000 2.794 340 T HA 0.776 5.126 4.350 0.000 0.000 0.280 340 T C -0.328 174.403 174.700 0.051 0.000 0.987 340 T CA -0.305 61.814 62.100 0.031 0.000 0.993 340 T CB 1.039 69.915 68.868 0.014 0.000 0.939 340 T HN 0.826 nan 8.240 nan 0.000 0.449 341 L N 2.502 123.791 121.223 0.111 0.000 2.341 341 L HA 0.782 5.123 4.340 0.000 0.000 0.267 341 L C -2.635 174.351 176.870 0.193 0.000 1.009 341 L CA -2.834 52.079 54.840 0.121 0.000 0.819 341 L CB 1.065 43.173 42.059 0.082 0.000 1.323 341 L HN 0.286 nan 8.230 nan 0.000 0.425 342 P HA 0.089 nan 4.420 nan 0.000 0.271 342 P C -0.192 177.240 177.300 0.220 0.000 1.233 342 P CA -0.363 62.821 63.100 0.140 0.000 0.789 342 P CB 0.811 32.582 31.700 0.118 0.000 0.951 343 K N -0.381 120.033 120.400 0.023 0.000 2.103 343 K HA -0.033 4.287 4.320 0.000 0.000 0.207 343 K C 1.139 177.743 176.600 0.007 0.000 1.048 343 K CA 1.397 57.656 56.287 -0.047 0.000 0.930 343 K CB -0.371 32.045 32.500 -0.140 0.000 0.716 343 K HN 0.419 nan 8.250 nan 0.000 0.444 344 S N -1.708 114.006 115.700 0.024 0.000 2.546 344 S HA 0.627 5.097 4.470 0.000 0.000 0.274 344 S C -1.721 172.939 174.600 0.099 0.000 1.121 344 S CA -0.448 57.734 58.200 -0.030 0.000 0.887 344 S CB 1.946 65.125 63.200 -0.036 0.000 1.094 344 S HN 0.170 nan 8.310 nan 0.000 0.474 345 A N 4.650 127.534 122.820 0.106 0.000 3.474 345 A HA 0.479 4.799 4.320 0.000 0.000 0.251 345 A C -2.195 175.443 177.584 0.089 0.000 1.062 345 A CA -0.714 51.406 52.037 0.139 0.000 0.945 345 A CB 0.490 19.622 19.000 0.219 0.000 1.296 345 A HN 0.598 nan 8.150 nan 0.000 0.592 346 P HA -0.042 nan 4.420 nan 0.000 0.230 346 P C 1.347 178.662 177.300 0.025 0.000 1.158 346 P CA 1.575 64.682 63.100 0.013 0.000 0.769 346 P CB 0.093 31.785 31.700 -0.013 0.000 0.807 347 G N -0.199 108.627 108.800 0.044 0.000 2.813 347 G HA2 0.014 3.974 3.960 0.000 0.000 0.209 347 G HA3 0.014 3.974 3.960 0.000 0.000 0.209 347 G C 0.463 175.465 174.900 0.170 0.000 1.150 347 G CA -0.145 45.008 45.100 0.088 0.000 0.785 347 G HN 0.235 nan 8.290 nan 0.000 0.535 348 L N 0.707 121.990 121.223 0.099 0.000 2.453 348 L HA 0.606 4.946 4.340 0.000 0.000 0.272 348 L C 0.015 176.921 176.870 0.061 0.000 1.182 348 L CA -0.216 54.662 54.840 0.063 0.000 0.858 348 L CB 0.693 42.769 42.059 0.027 0.000 1.120 348 L HN 0.039 nan 8.230 nan 0.000 0.474 349 R N 3.331 123.837 120.500 0.010 0.000 2.533 349 R HA 0.540 4.880 4.340 0.000 0.000 0.288 349 R C -1.698 174.337 176.300 -0.441 0.000 1.039 349 R CA -0.267 55.744 56.100 -0.149 0.000 0.909 349 R CB 1.272 31.620 30.300 0.080 0.000 1.195 349 R HN 0.757 nan 8.270 nan 0.000 0.438 350 C N 4.404 123.402 119.300 -0.502 0.000 2.319 350 C HA 0.541 5.001 4.460 0.000 0.000 0.323 350 C C -1.060 173.664 174.990 -0.444 0.000 1.277 350 C CA -0.937 57.834 59.018 -0.412 0.000 1.517 350 C CB -0.019 27.608 27.740 -0.188 0.000 2.206 350 C HN 0.740 nan 8.230 nan 0.000 0.486 351 Y N 1.558 121.856 120.300 -0.003 0.000 2.341 351 Y HA 0.515 5.065 4.550 0.000 0.000 0.338 351 Y C 0.290 176.201 175.900 0.019 0.000 0.965 351 Y CA -0.609 57.505 58.100 0.023 0.000 1.108 351 Y CB 1.154 39.636 38.460 0.036 0.000 1.180 351 Y HN 0.543 nan 8.280 nan 0.000 0.458 352 K N 3.404 123.921 120.400 0.194 0.000 2.182 352 K HA 0.639 4.959 4.320 0.000 0.000 0.262 352 K C -1.902 174.790 176.600 0.154 0.000 0.957 352 K CA -0.909 55.462 56.287 0.139 0.000 0.842 352 K CB 1.237 33.808 32.500 0.117 0.000 1.099 352 K HN 0.627 nan 8.250 nan 0.000 0.438 353 L N 3.303 124.588 121.223 0.104 0.000 2.404 353 L HA 0.477 4.818 4.340 0.000 0.000 0.272 353 L C -1.661 175.248 176.870 0.065 0.000 0.980 353 L CA 0.123 55.015 54.840 0.087 0.000 0.836 353 L CB 1.556 43.634 42.059 0.032 0.000 1.238 353 L HN 0.728 nan 8.230 nan 0.000 0.408 354 S N 2.616 118.355 115.700 0.065 0.000 2.537 354 S HA 0.451 4.922 4.470 0.000 0.000 0.270 354 S C 0.585 175.174 174.600 -0.018 0.000 1.142 354 S CA -0.907 57.315 58.200 0.036 0.000 0.870 354 S CB 1.715 64.930 63.200 0.025 0.000 1.112 354 S HN 0.629 nan 8.310 nan 0.000 0.466 355 K N 0.611 120.999 120.400 -0.019 0.000 2.081 355 K HA -0.223 4.097 4.320 0.000 0.000 0.222 355 K C 0.926 177.428 176.600 -0.163 0.000 1.055 355 K CA 1.845 58.087 56.287 -0.076 0.000 0.954 355 K CB -0.137 32.330 32.500 -0.055 0.000 0.732 355 K HN 0.599 nan 8.250 nan 0.000 0.458 356 R N -0.947 119.472 120.500 -0.135 0.000 2.732 356 R HA 0.197 4.537 4.340 0.000 0.000 0.278 356 R C 0.870 177.097 176.300 -0.122 0.000 0.976 356 R CA -0.424 55.574 56.100 -0.170 0.000 0.963 356 R CB 0.758 31.023 30.300 -0.060 0.000 1.150 356 R HN -0.049 nan 8.270 nan 0.000 0.478 357 F N 0.275 120.237 119.950 0.020 0.000 2.060 357 F HA -0.085 4.442 4.527 0.000 0.000 0.295 357 F C 0.621 176.428 175.800 0.012 0.000 1.120 357 F CA 0.703 58.715 58.000 0.021 0.000 1.205 357 F CB 0.161 39.173 39.000 0.020 0.000 0.986 357 F HN 0.424 nan 8.300 nan 0.000 0.470 358 D N 0.176 120.698 120.400 0.203 0.000 2.193 358 D HA 0.105 4.745 4.640 0.000 0.000 0.249 358 D C -0.293 176.037 176.300 0.051 0.000 1.034 358 D CA -0.324 53.739 54.000 0.105 0.000 0.902 358 D CB 0.913 41.757 40.800 0.073 0.000 1.182 358 D HN 0.029 nan 8.370 nan 0.000 0.436 359 Q N 1.059 120.876 119.800 0.027 0.000 2.423 359 Q HA -0.260 4.080 4.340 0.000 0.000 0.368 359 Q C -1.385 174.607 176.000 -0.013 0.000 1.371 359 Q CA 0.761 56.560 55.803 -0.006 0.000 1.106 359 Q CB -0.591 28.142 28.738 -0.008 0.000 1.263 359 Q HN 0.475 nan 8.270 nan 0.000 0.325 360 D N 0.822 121.210 120.400 -0.020 0.000 2.661 360 D HA 0.444 5.084 4.640 0.000 0.000 0.228 360 D C -1.208 175.068 176.300 -0.040 0.000 1.210 360 D CA -0.667 53.321 54.000 -0.022 0.000 0.826 360 D CB 1.112 41.910 40.800 -0.003 0.000 1.542 360 D HN 0.217 nan 8.370 nan 0.000 0.447 361 I N 2.025 122.571 120.570 -0.040 0.000 2.352 361 I HA 0.219 4.390 4.170 0.000 0.000 0.290 361 I C 0.703 176.808 176.117 -0.020 0.000 1.036 361 I CA -0.234 61.038 61.300 -0.047 0.000 1.336 361 I CB 1.078 39.054 38.000 -0.040 0.000 1.407 361 I HN 0.258 nan 8.210 nan 0.000 0.497 362 S N 4.417 120.108 115.700 -0.016 0.000 2.573 362 S HA 0.332 4.802 4.470 0.000 0.000 0.277 362 S C 1.012 175.611 174.600 -0.001 0.000 1.346 362 S CA -0.181 58.021 58.200 0.004 0.000 1.034 362 S CB 1.130 64.338 63.200 0.014 0.000 0.879 362 S HN 0.753 nan 8.310 nan 0.000 0.528 363 A N 2.161 124.983 122.820 0.004 0.000 1.942 363 A HA 0.503 4.823 4.320 0.000 0.000 0.209 363 A C 0.529 178.080 177.584 -0.054 0.000 1.214 363 A CA 0.283 52.312 52.037 -0.013 0.000 0.686 363 A CB 0.002 19.017 19.000 0.026 0.000 0.871 363 A HN 0.680 nan 8.150 nan 0.000 0.460 364 V N -1.443 118.438 119.914 -0.054 0.000 2.823 364 V HA 0.533 4.653 4.120 0.000 0.000 0.312 364 V C -0.981 175.136 176.094 0.039 0.000 1.072 364 V CA -0.772 61.506 62.300 -0.038 0.000 0.937 364 V CB 1.391 33.154 31.823 -0.100 0.000 1.013 364 V HN 0.322 nan 8.190 nan 0.000 0.430 365 C N 3.132 122.492 119.300 0.099 0.000 2.781 365 C HA 0.751 5.212 4.460 0.000 0.000 0.348 365 C C 0.364 175.323 174.990 -0.051 0.000 1.051 365 C CA -0.214 58.835 59.018 0.052 0.000 1.347 365 C CB -0.344 27.405 27.740 0.016 0.000 1.846 365 C HN 1.177 nan 8.230 nan 0.000 0.473 366 G N 3.933 112.682 108.800 -0.085 0.000 2.370 366 G HA2 0.596 4.556 3.960 0.000 0.000 0.317 366 G HA3 0.596 4.556 3.960 0.000 0.000 0.317 366 G C -0.582 174.125 174.900 -0.321 0.000 1.162 366 G CA -0.179 44.631 45.100 -0.483 0.000 0.922 366 G HN 0.881 nan 8.290 nan 0.000 0.454 367 C N 3.005 122.026 119.300 -0.465 0.000 2.340 367 C HA 0.622 5.082 4.460 0.000 0.000 0.323 367 C C -0.323 174.481 174.990 -0.311 0.000 1.260 367 C CA -0.757 58.074 59.018 -0.312 0.000 1.464 367 C CB -0.116 27.488 27.740 -0.226 0.000 2.156 367 C HN 0.593 nan 8.230 nan 0.000 0.476 368 L N 4.168 125.205 121.223 -0.311 0.000 2.349 368 L HA 0.553 4.893 4.340 0.000 0.000 0.278 368 L C -0.202 176.434 176.870 -0.390 0.000 0.996 368 L CA 0.077 54.642 54.840 -0.458 0.000 0.825 368 L CB 0.939 42.492 42.059 -0.842 0.000 1.243 368 L HN 0.583 nan 8.230 nan 0.000 0.412 369 N N 4.231 122.791 118.700 -0.234 0.000 2.540 369 N HA 0.540 5.280 4.740 0.000 0.000 0.275 369 N C -1.684 173.810 175.510 -0.027 0.000 1.053 369 N CA -0.279 52.734 53.050 -0.061 0.000 0.876 369 N CB 1.095 39.568 38.487 -0.024 0.000 1.284 369 N HN 0.478 nan 8.380 nan 0.000 0.518 370 L N 1.875 123.141 121.223 0.072 0.000 2.346 370 L HA 0.573 4.913 4.340 0.000 0.000 0.274 370 L C 0.073 176.941 176.870 -0.004 0.000 1.007 370 L CA -0.797 54.071 54.840 0.046 0.000 0.818 370 L CB 2.081 44.207 42.059 0.111 0.000 1.284 370 L HN 0.345 nan 8.230 nan 0.000 0.424 371 T N 3.274 117.812 114.554 -0.026 0.000 2.824 371 T HA 0.631 4.981 4.350 0.000 0.000 0.280 371 T C -0.177 174.482 174.700 -0.068 0.000 0.995 371 T CA -0.469 61.606 62.100 -0.043 0.000 1.009 371 T CB 1.647 70.502 68.868 -0.021 0.000 0.955 371 T HN 0.259 nan 8.240 nan 0.000 0.452 372 L N 2.522 123.692 121.223 -0.089 0.000 2.325 372 L HA 0.580 4.921 4.340 0.000 0.000 0.278 372 L C 0.229 177.071 176.870 -0.047 0.000 1.023 372 L CA -0.954 53.830 54.840 -0.093 0.000 0.811 372 L CB 1.595 43.564 42.059 -0.150 0.000 1.249 372 L HN 0.440 nan 8.230 nan 0.000 0.431 373 K N 1.765 122.149 120.400 -0.026 0.000 2.385 373 K HA 0.490 4.810 4.320 0.000 0.000 0.229 373 K C 0.544 177.140 176.600 -0.005 0.000 1.089 373 K CA 0.570 56.849 56.287 -0.013 0.000 1.060 373 K CB 0.346 32.844 32.500 -0.004 0.000 1.698 373 K HN 0.718 nan 8.250 nan 0.000 0.469 374 G N 1.363 110.156 108.800 -0.012 0.000 3.181 374 G HA2 -0.433 3.527 3.960 0.000 0.000 0.322 374 G HA3 -0.433 3.527 3.960 0.000 0.000 0.322 374 G C 0.879 175.787 174.900 0.013 0.000 1.246 374 G CA 0.785 45.885 45.100 -0.001 0.000 0.989 374 G HN 0.788 nan 8.290 nan 0.000 0.607 375 S N 0.535 116.255 115.700 0.032 0.000 2.524 375 S HA 0.433 4.904 4.470 0.000 0.000 0.215 375 S C 0.694 175.347 174.600 0.088 0.000 0.986 375 S CA 0.879 59.119 58.200 0.066 0.000 0.911 375 S CB 0.436 63.671 63.200 0.058 0.000 0.805 375 S HN 0.683 nan 8.310 nan 0.000 0.501 376 K N 1.352 121.786 120.400 0.056 0.000 2.221 376 K HA 0.483 4.804 4.320 0.000 0.000 0.258 376 K C -0.868 175.760 176.600 0.047 0.000 0.944 376 K CA -0.685 55.639 56.287 0.061 0.000 0.823 376 K CB 1.933 34.456 32.500 0.037 0.000 1.113 376 K HN 0.202 nan 8.250 nan 0.000 0.431 377 I N 2.921 123.535 120.570 0.074 0.000 2.587 377 I HA -0.089 4.081 4.170 0.000 0.000 0.284 377 I C 1.527 177.655 176.117 0.019 0.000 1.134 377 I CA 0.502 61.833 61.300 0.051 0.000 1.410 377 I CB 0.316 38.372 38.000 0.094 0.000 1.392 377 I HN 0.671 nan 8.210 nan 0.000 0.545 378 E N 3.366 123.566 120.200 0.000 0.000 2.065 378 E HA 0.045 4.396 4.350 0.000 0.000 0.191 378 E C 0.022 176.621 176.600 -0.001 0.000 0.960 378 E CA 0.854 57.253 56.400 -0.002 0.000 0.824 378 E CB 0.472 30.167 29.700 -0.008 0.000 0.793 378 E HN 0.622 nan 8.360 nan 0.000 0.459 379 T N 0.155 114.707 114.554 -0.003 0.000 2.863 379 T HA 0.632 4.982 4.350 0.000 0.000 0.285 379 T C -0.967 173.734 174.700 0.000 0.000 1.009 379 T CA -0.719 61.381 62.100 -0.000 0.000 0.989 379 T CB 1.906 70.774 68.868 0.001 0.000 1.004 379 T HN 0.100 nan 8.240 nan 0.000 0.455 380 A N 2.918 125.738 122.820 -0.000 0.000 2.340 380 A HA 0.646 4.967 4.320 0.000 0.000 0.297 380 A C -0.197 177.390 177.584 0.006 0.000 1.195 380 A CA -0.869 51.166 52.037 -0.004 0.000 0.769 380 A CB 0.707 19.694 19.000 -0.022 0.000 1.163 380 A HN 0.703 nan 8.150 nan 0.000 0.472 381 R N 2.895 123.391 120.500 -0.008 0.000 2.287 381 R HA 0.459 4.800 4.340 0.000 0.000 0.316 381 R C -1.395 174.890 176.300 -0.026 0.000 1.050 381 R CA -0.138 55.962 56.100 -0.001 0.000 0.983 381 R CB 0.844 31.141 30.300 -0.005 0.000 1.140 381 R HN 0.665 nan 8.270 nan 0.000 0.528 382 I N 2.028 122.618 120.570 0.032 0.000 2.411 382 I HA 0.437 4.608 4.170 0.000 0.000 0.284 382 I C -0.248 175.908 176.117 0.065 0.000 1.012 382 I CA -0.536 60.781 61.300 0.028 0.000 1.119 382 I CB 1.996 40.125 38.000 0.214 0.000 1.261 382 I HN 0.473 nan 8.210 nan 0.000 0.448 383 A N 6.335 129.088 122.820 -0.111 0.000 2.393 383 A HA 0.852 5.172 4.320 0.000 0.000 0.306 383 A C -1.376 176.050 177.584 -0.264 0.000 1.050 383 A CA -0.349 51.669 52.037 -0.031 0.000 0.724 383 A CB 0.905 19.904 19.000 -0.002 0.000 1.248 383 A HN 0.522 nan 8.150 nan 0.000 0.424 384 F N 1.321 121.274 119.950 0.005 0.000 2.477 384 F HA 0.572 5.099 4.527 0.000 0.000 0.335 384 F C 0.955 176.658 175.800 -0.162 0.000 1.130 384 F CA -0.182 57.713 58.000 -0.175 0.000 0.948 384 F CB 2.507 41.171 39.000 -0.559 0.000 1.154 384 F HN 0.739 nan 8.300 nan 0.000 0.439 385 G N 0.776 109.592 108.800 0.027 0.000 2.400 385 G HA2 0.453 4.413 3.960 0.000 0.000 0.301 385 G HA3 0.453 4.413 3.960 0.000 0.000 0.301 385 G C 0.751 175.639 174.900 -0.021 0.000 1.154 385 G CA -0.060 45.033 45.100 -0.012 0.000 0.852 385 G HN 1.185 nan 8.290 nan 0.000 0.511 386 G N 1.049 109.821 108.800 -0.046 0.000 2.212 386 G HA2 -0.322 3.638 3.960 0.000 0.000 0.266 386 G HA3 -0.322 3.638 3.960 0.000 0.000 0.266 386 G C 1.334 176.166 174.900 -0.114 0.000 0.978 386 G CA 1.003 46.063 45.100 -0.067 0.000 0.632 386 G HN 0.488 nan 8.290 nan 0.000 0.537 387 M N 0.174 119.669 119.600 -0.175 0.000 2.394 387 M HA 0.491 4.972 4.480 0.000 0.000 0.266 387 M C 1.458 177.701 176.300 -0.096 0.000 1.098 387 M CA 1.542 56.656 55.300 -0.310 0.000 1.149 387 M CB -0.560 31.506 32.600 -0.890 0.000 1.369 387 M HN 0.813 nan 8.290 nan 0.000 0.450 388 A N -1.486 121.346 122.820 0.021 0.000 2.486 388 A HA 0.686 5.006 4.320 0.000 0.000 0.289 388 A C 0.964 178.556 177.584 0.014 0.000 1.176 388 A CA -0.134 51.969 52.037 0.111 0.000 0.757 388 A CB 0.138 19.318 19.000 0.300 0.000 1.337 388 A HN 0.332 nan 8.150 nan 0.000 0.423 389 G N -1.102 107.695 108.800 -0.005 0.000 2.653 389 G HA2 0.347 4.307 3.960 0.000 0.000 0.212 389 G HA3 0.347 4.307 3.960 0.000 0.000 0.212 389 G C 0.115 175.071 174.900 0.094 0.000 1.138 389 G CA 1.346 46.410 45.100 -0.060 0.000 0.782 389 G HN 1.217 nan 8.290 nan 0.000 0.535 390 V N 0.176 120.140 119.914 0.083 0.000 3.036 390 V HA 0.336 4.456 4.120 0.000 0.000 0.288 390 V C -2.437 173.667 176.094 0.016 0.000 1.407 390 V CA -1.712 60.631 62.300 0.071 0.000 0.983 390 V CB 3.132 35.046 31.823 0.152 0.000 1.128 390 V HN -0.015 nan 8.190 nan 0.000 0.439 391 P HA 0.269 nan 4.420 nan 0.000 0.265 391 P C -1.423 175.900 177.300 0.039 0.000 1.222 391 P CA 0.103 63.132 63.100 -0.117 0.000 0.767 391 P CB 0.119 31.599 31.700 -0.367 0.000 0.801 392 K N 2.613 123.125 120.400 0.187 0.000 2.536 392 K HA 0.546 4.867 4.320 0.000 0.000 0.269 392 K C -0.528 176.275 176.600 0.339 0.000 0.965 392 K CA -1.239 55.194 56.287 0.242 0.000 0.860 392 K CB 1.954 34.584 32.500 0.217 0.000 1.423 392 K HN 0.172 nan 8.250 nan 0.000 0.438 393 R N 0.695 121.339 120.500 0.240 0.000 2.490 393 R HA 0.381 4.721 4.340 0.000 0.000 0.278 393 R C -0.177 176.275 176.300 0.254 0.000 1.069 393 R CA -0.528 55.720 56.100 0.247 0.000 1.080 393 R CB 0.982 31.372 30.300 0.150 0.000 1.030 393 R HN 0.723 nan 8.270 nan 0.000 0.491 394 A N 2.227 125.261 122.820 0.356 0.000 2.990 394 A HA 0.310 4.631 4.320 0.000 0.000 0.282 394 A C 1.403 179.095 177.584 0.181 0.000 1.688 394 A CA 0.104 52.317 52.037 0.292 0.000 1.391 394 A CB -0.412 18.932 19.000 0.573 0.000 1.112 394 A HN 0.937 nan 8.150 nan 0.000 0.588 395 A N 1.992 124.847 122.820 0.059 0.000 1.884 395 A HA -0.031 4.290 4.320 0.000 0.000 0.219 395 A C 2.410 180.029 177.584 0.057 0.000 1.197 395 A CA 2.347 54.411 52.037 0.046 0.000 0.637 395 A CB -0.770 18.232 19.000 0.003 0.000 0.827 395 A HN 1.419 nan 8.150 nan 0.000 0.450 396 A N -2.087 120.763 122.820 0.051 0.000 1.968 396 A HA 0.105 4.426 4.320 0.000 0.000 0.217 396 A C 2.019 179.687 177.584 0.141 0.000 1.169 396 A CA 1.475 53.552 52.037 0.067 0.000 0.638 396 A CB -0.571 18.453 19.000 0.039 0.000 0.812 396 A HN 0.625 nan 8.150 nan 0.000 0.446 397 F N 0.910 120.880 119.950 0.033 0.000 2.128 397 F HA -0.048 4.479 4.527 0.001 0.000 0.295 397 F C 2.146 177.988 175.800 0.071 0.000 1.100 397 F CA 1.829 59.868 58.000 0.067 0.000 1.260 397 F CB -0.411 38.659 39.000 0.116 0.000 1.009 397 F HN 0.341 nan 8.300 nan 0.000 0.476 398 E N 0.196 120.439 120.200 0.072 0.000 2.049 398 E HA -0.267 4.083 4.350 0.000 0.000 0.198 398 E C 2.339 178.900 176.600 -0.066 0.000 1.007 398 E CA 1.356 57.737 56.400 -0.032 0.000 0.809 398 E CB -0.530 29.202 29.700 0.054 0.000 0.749 398 E HN 0.461 nan 8.360 nan 0.000 0.450 399 A N 1.232 124.042 122.820 -0.017 0.000 1.972 399 A HA -0.140 4.180 4.320 0.000 0.000 0.219 399 A C 2.344 179.906 177.584 -0.037 0.000 1.169 399 A CA 1.717 53.745 52.037 -0.016 0.000 0.635 399 A CB -0.590 18.412 19.000 0.005 0.000 0.810 399 A HN 0.312 nan 8.150 nan 0.000 0.446 400 A N -0.712 122.074 122.820 -0.057 0.000 1.902 400 A HA 0.024 4.344 4.320 0.000 0.000 0.217 400 A C 2.024 179.546 177.584 -0.103 0.000 1.181 400 A CA 1.638 53.636 52.037 -0.064 0.000 0.623 400 A CB -0.488 18.483 19.000 -0.048 0.000 0.818 400 A HN 0.395 nan 8.150 nan 0.000 0.443 401 L N 0.242 121.350 121.223 -0.192 0.000 2.027 401 L HA 0.001 4.341 4.340 0.000 0.000 0.206 401 L C 1.280 178.114 176.870 -0.059 0.000 1.074 401 L CA 1.059 55.800 54.840 -0.165 0.000 0.745 401 L CB -0.870 41.035 42.059 -0.256 0.000 0.898 401 L HN 0.582 nan 8.230 nan 0.000 0.433 402 I N -1.727 118.814 120.570 -0.048 0.000 2.683 402 I HA 0.343 4.513 4.170 0.000 0.000 0.286 402 I C 1.350 177.465 176.117 -0.004 0.000 1.175 402 I CA 0.479 61.770 61.300 -0.015 0.000 1.429 402 I CB -0.279 37.713 38.000 -0.013 0.000 1.371 402 I HN 0.364 nan 8.210 nan 0.000 0.569 403 G N 3.288 112.093 108.800 0.008 0.000 2.195 403 G HA2 -0.214 3.746 3.960 0.000 0.000 0.246 403 G HA3 -0.214 3.746 3.960 0.000 0.000 0.246 403 G C 0.155 175.066 174.900 0.018 0.000 0.984 403 G CA 0.005 45.111 45.100 0.011 0.000 0.633 403 G HN 0.779 nan 8.290 nan 0.000 0.525 404 Q N 0.062 119.876 119.800 0.024 0.000 2.306 404 Q HA 0.488 4.828 4.340 0.000 0.000 0.269 404 Q C -0.995 175.043 176.000 0.063 0.000 1.053 404 Q CA -1.078 54.744 55.803 0.032 0.000 0.879 404 Q CB 1.084 29.832 28.738 0.017 0.000 1.344 404 Q HN 0.178 nan 8.270 nan 0.000 0.464 405 D N 0.912 121.349 120.400 0.062 0.000 2.443 405 D HA 0.005 4.645 4.640 0.000 0.000 0.239 405 D C -0.915 175.468 176.300 0.137 0.000 1.136 405 D CA 0.360 54.415 54.000 0.092 0.000 0.879 405 D CB 0.322 41.158 40.800 0.059 0.000 1.195 405 D HN 0.292 nan 8.370 nan 0.000 0.443 406 F N 4.448 124.411 119.950 0.022 0.000 2.626 406 F HA 0.179 4.707 4.527 0.000 0.000 0.353 406 F C 0.249 176.069 175.800 0.033 0.000 1.230 406 F CA -0.320 57.702 58.000 0.036 0.000 1.298 406 F CB -0.318 38.706 39.000 0.040 0.000 1.670 406 F HN 0.039 nan 8.300 nan 0.000 0.633 407 R N 1.983 122.385 120.500 -0.162 0.000 2.919 407 R HA 0.236 4.577 4.340 0.000 0.000 0.260 407 R C 0.877 177.049 176.300 -0.215 0.000 1.067 407 R CA -0.793 55.203 56.100 -0.173 0.000 1.003 407 R CB 1.187 31.453 30.300 -0.057 0.000 1.192 407 R HN 0.411 nan 8.270 nan 0.000 0.488 408 E N 1.101 121.207 120.200 -0.157 0.000 2.072 408 E HA -0.166 4.184 4.350 0.000 0.000 0.190 408 E C 0.906 177.477 176.600 -0.049 0.000 0.982 408 E CA 1.493 57.828 56.400 -0.108 0.000 0.803 408 E CB 0.163 29.818 29.700 -0.076 0.000 0.755 408 E HN 0.587 nan 8.360 nan 0.000 0.453 409 D N 0.169 120.547 120.400 -0.036 0.000 2.123 409 D HA -0.212 4.428 4.640 0.000 0.000 0.196 409 D C 2.004 178.303 176.300 -0.002 0.000 0.992 409 D CA 2.016 56.009 54.000 -0.012 0.000 0.833 409 D CB -0.816 39.979 40.800 -0.008 0.000 0.954 409 D HN 0.282 nan 8.370 nan 0.000 0.455 410 T N -0.488 114.058 114.554 -0.012 0.000 2.812 410 T HA -0.065 4.286 4.350 0.000 0.000 0.264 410 T C 2.286 176.992 174.700 0.010 0.000 1.042 410 T CA 0.434 62.534 62.100 -0.001 0.000 1.140 410 T CB -0.329 68.537 68.868 -0.003 0.000 0.870 410 T HN 0.051 nan 8.240 nan 0.000 0.445 411 I N 2.486 123.057 120.570 0.001 0.000 2.202 411 I HA -0.042 4.128 4.170 0.000 0.000 0.242 411 I C 3.197 179.398 176.117 0.141 0.000 1.091 411 I CA 1.423 62.760 61.300 0.062 0.000 1.368 411 I CB -1.663 36.365 38.000 0.047 0.000 1.058 411 I HN 0.381 nan 8.210 nan 0.000 0.410 412 A N 0.928 123.797 122.820 0.083 0.000 1.972 412 A HA -0.100 4.221 4.320 0.000 0.000 0.219 412 A C 2.539 180.175 177.584 0.086 0.000 1.169 412 A CA 1.827 53.912 52.037 0.081 0.000 0.635 412 A CB -0.621 18.403 19.000 0.039 0.000 0.810 412 A HN 0.434 nan 8.150 nan 0.000 0.446 413 A N -0.385 122.478 122.820 0.073 0.000 1.969 413 A HA 0.263 4.583 4.320 0.000 0.000 0.218 413 A C 2.321 179.966 177.584 0.101 0.000 1.169 413 A CA 1.655 53.732 52.037 0.067 0.000 0.635 413 A CB -0.695 18.331 19.000 0.043 0.000 0.810 413 A HN 1.028 nan 8.150 nan 0.000 0.445 414 A N -0.549 122.361 122.820 0.151 0.000 2.167 414 A HA 0.238 4.558 4.320 0.000 0.000 0.214 414 A C 1.937 179.766 177.584 0.409 0.000 1.151 414 A CA 0.594 52.767 52.037 0.227 0.000 0.735 414 A CB -0.484 18.586 19.000 0.117 0.000 0.802 414 A HN 0.458 nan 8.150 nan 0.000 0.467 415 L N -0.300 121.107 121.223 0.308 0.000 2.043 415 L HA -0.150 4.191 4.340 0.000 0.000 0.212 415 L C -0.561 176.327 176.870 0.029 0.000 1.075 415 L CA 1.543 56.463 54.840 0.133 0.000 0.752 415 L CB -1.382 40.708 42.059 0.051 0.000 0.891 415 L HN 0.238 nan 8.230 nan 0.000 0.432 416 P HA -0.145 nan 4.420 nan 0.000 0.225 416 P C 1.728 179.045 177.300 0.029 0.000 1.148 416 P CA 1.106 64.220 63.100 0.022 0.000 0.779 416 P CB 0.065 31.784 31.700 0.030 0.000 0.780 417 L N -1.641 119.635 121.223 0.089 0.000 2.201 417 L HA -0.115 4.226 4.340 0.000 0.000 0.212 417 L C 2.196 179.097 176.870 0.052 0.000 1.105 417 L CA 0.940 55.840 54.840 0.101 0.000 0.775 417 L CB -0.753 41.425 42.059 0.198 0.000 0.913 417 L HN -0.034 nan 8.230 nan 0.000 0.440 418 L N -0.588 120.623 121.223 -0.021 0.000 2.191 418 L HA -0.177 4.164 4.340 0.000 0.000 0.212 418 L C 2.661 179.519 176.870 -0.020 0.000 1.103 418 L CA 0.909 55.706 54.840 -0.073 0.000 0.769 418 L CB -0.567 41.315 42.059 -0.294 0.000 0.908 418 L HN 0.251 nan 8.230 nan 0.000 0.438 419 A N -0.998 121.800 122.820 -0.037 0.000 2.119 419 A HA -0.149 4.171 4.320 0.000 0.000 0.217 419 A C 2.158 179.726 177.584 -0.027 0.000 1.153 419 A CA 0.985 53.006 52.037 -0.026 0.000 0.692 419 A CB -0.172 18.811 19.000 -0.028 0.000 0.799 419 A HN 0.480 nan 8.150 nan 0.000 0.458 420 Q N -0.878 118.901 119.800 -0.036 0.000 2.376 420 Q HA -0.041 4.299 4.340 0.000 0.000 0.206 420 Q C 0.731 176.658 176.000 -0.121 0.000 0.921 420 Q CA 0.677 56.449 55.803 -0.052 0.000 0.911 420 Q CB 0.152 28.874 28.738 -0.026 0.000 1.032 420 Q HN 0.558 nan 8.270 nan 0.000 0.510 421 D N -0.310 119.972 120.400 -0.197 0.000 2.183 421 D HA 0.031 4.671 4.640 0.000 0.000 0.205 421 D C -0.163 175.671 176.300 -0.777 0.000 0.962 421 D CA 0.931 54.621 54.000 -0.517 0.000 0.849 421 D CB 0.412 40.823 40.800 -0.649 0.000 0.978 421 D HN 0.011 nan 8.370 nan 0.000 0.488 422 F N -0.484 119.411 119.950 -0.091 0.000 2.576 422 F HA 0.367 4.895 4.527 0.001 0.000 0.313 422 F C -0.105 175.633 175.800 -0.103 0.000 1.078 422 F CA -0.861 57.074 58.000 -0.108 0.000 0.921 422 F CB 2.239 41.132 39.000 -0.179 0.000 1.232 422 F HN -0.492 nan 8.300 nan 0.000 0.459 423 T N 2.673 117.286 114.554 0.098 0.000 3.141 423 T HA 0.363 4.713 4.350 0.000 0.000 0.377 423 T C -2.601 172.109 174.700 0.017 0.000 1.258 423 T CA -1.173 60.946 62.100 0.031 0.000 1.263 423 T CB 0.533 69.404 68.868 0.006 0.000 1.066 423 T HN 0.181 nan 8.240 nan 0.000 0.546 424 P HA 0.506 nan 4.420 nan 0.000 0.276 424 P C -0.432 176.844 177.300 -0.040 0.000 1.252 424 P CA -0.734 62.341 63.100 -0.042 0.000 0.802 424 P CB 1.024 32.666 31.700 -0.097 0.000 1.035 425 L N -0.023 121.171 121.223 -0.049 0.000 2.387 425 L HA 0.401 4.741 4.340 0.000 0.000 0.266 425 L C 0.626 177.478 176.870 -0.030 0.000 1.059 425 L CA -0.576 54.240 54.840 -0.041 0.000 0.801 425 L CB 1.030 43.057 42.059 -0.054 0.000 1.223 425 L HN 0.320 nan 8.230 nan 0.000 0.456 426 S N 0.323 116.011 115.700 -0.020 0.000 2.525 426 S HA 0.621 5.092 4.470 0.000 0.000 0.290 426 S C -1.015 173.579 174.600 -0.010 0.000 1.152 426 S CA -0.788 57.407 58.200 -0.008 0.000 1.072 426 S CB 1.398 64.596 63.200 -0.003 0.000 1.027 426 S HN 0.703 nan 8.310 nan 0.000 0.500 427 D N 0.791 121.189 120.400 -0.003 0.000 2.713 427 D HA 0.082 4.723 4.640 0.000 0.000 0.306 427 D C 1.019 177.320 176.300 0.000 0.000 1.299 427 D CA -0.767 53.231 54.000 -0.004 0.000 0.823 427 D CB -0.115 40.680 40.800 -0.008 0.000 1.353 427 D HN 0.414 nan 8.370 nan 0.000 0.447 428 M N 0.013 119.613 119.600 -0.001 0.000 2.337 428 M HA -0.098 4.382 4.480 0.000 0.000 0.261 428 M C 0.999 177.297 176.300 -0.002 0.000 1.067 428 M CA 1.495 56.793 55.300 -0.003 0.000 1.074 428 M CB -1.195 31.404 32.600 -0.002 0.000 1.395 428 M HN 0.453 nan 8.290 nan 0.000 0.431 429 R N 0.935 121.438 120.500 0.006 0.000 2.127 429 R HA 0.437 4.777 4.340 0.000 0.000 0.217 429 R C 0.483 176.807 176.300 0.040 0.000 1.074 429 R CA 0.909 57.018 56.100 0.015 0.000 0.991 429 R CB 0.079 30.388 30.300 0.016 0.000 0.895 429 R HN 0.574 nan 8.270 nan 0.000 0.450 430 A N 0.223 123.073 122.820 0.050 0.000 2.586 430 A HA 0.284 4.604 4.320 0.000 0.000 0.296 430 A C -0.583 177.048 177.584 0.079 0.000 1.040 430 A CA -0.802 51.301 52.037 0.110 0.000 0.701 430 A CB 0.735 19.897 19.000 0.270 0.000 1.277 430 A HN 0.150 nan 8.150 nan 0.000 0.413 431 S N 1.021 116.773 115.700 0.086 0.000 2.600 431 S HA 0.549 5.019 4.470 0.000 0.000 0.265 431 S C 1.431 176.068 174.600 0.062 0.000 1.325 431 S CA 0.182 58.416 58.200 0.056 0.000 1.002 431 S CB 1.299 64.525 63.200 0.042 0.000 0.921 431 S HN 2.197 nan 8.310 nan 0.000 0.554 432 A N 2.232 125.064 122.820 0.020 0.000 1.877 432 A HA 0.127 4.447 4.320 0.000 0.000 0.216 432 A C 2.466 180.047 177.584 -0.006 0.000 1.186 432 A CA 1.895 53.928 52.037 -0.007 0.000 0.620 432 A CB -1.795 17.196 19.000 -0.015 0.000 0.822 432 A HN 1.425 nan 8.150 nan 0.000 0.443 433 A N -1.227 121.603 122.820 0.017 0.000 1.903 433 A HA -0.243 4.077 4.320 0.000 0.000 0.219 433 A C 2.185 179.800 177.584 0.052 0.000 1.191 433 A CA 2.074 54.124 52.037 0.023 0.000 0.638 433 A CB -1.005 18.014 19.000 0.031 0.000 0.823 433 A HN 0.808 nan 8.150 nan 0.000 0.451 434 Y N 0.285 120.554 120.300 -0.052 0.000 2.181 434 Y HA -0.180 4.370 4.550 0.000 0.000 0.288 434 Y C 2.491 178.350 175.900 -0.069 0.000 1.146 434 Y CA 1.926 59.993 58.100 -0.054 0.000 1.164 434 Y CB -0.540 37.892 38.460 -0.047 0.000 0.982 434 Y HN 0.298 nan 8.280 nan 0.000 0.515 435 R N -0.897 119.496 120.500 -0.179 0.000 2.097 435 R HA -0.256 4.084 4.340 0.000 0.000 0.236 435 R C 2.329 178.447 176.300 -0.303 0.000 1.135 435 R CA 2.169 58.096 56.100 -0.289 0.000 0.934 435 R CB -0.527 29.664 30.300 -0.182 0.000 0.846 435 R HN 0.357 nan 8.270 nan 0.000 0.431 436 M N 0.939 120.412 119.600 -0.210 0.000 2.108 436 M HA -0.182 4.298 4.480 0.000 0.000 0.261 436 M C 1.449 177.629 176.300 -0.201 0.000 1.066 436 M CA 1.780 56.957 55.300 -0.205 0.000 1.107 436 M CB -0.439 32.088 32.600 -0.122 0.000 1.356 436 M HN 0.192 nan 8.290 nan 0.000 0.406 437 N N -0.786 117.821 118.700 -0.154 0.000 2.120 437 N HA -0.126 4.615 4.740 0.000 0.000 0.188 437 N C 1.539 176.947 175.510 -0.170 0.000 1.024 437 N CA 1.167 54.145 53.050 -0.120 0.000 0.852 437 N CB -0.116 38.350 38.487 -0.035 0.000 1.003 437 N HN 0.472 nan 8.380 nan 0.000 0.424 438 A N 1.062 123.710 122.820 -0.286 0.000 1.929 438 A HA 0.114 4.434 4.320 0.000 0.000 0.216 438 A C 2.302 179.774 177.584 -0.187 0.000 1.176 438 A CA 1.288 53.154 52.037 -0.286 0.000 0.628 438 A CB -0.567 18.133 19.000 -0.500 0.000 0.816 438 A HN 0.332 nan 8.150 nan 0.000 0.444 439 A N -0.405 122.257 122.820 -0.262 0.000 1.908 439 A HA -0.248 4.072 4.320 0.000 0.000 0.218 439 A C 2.120 179.595 177.584 -0.182 0.000 1.181 439 A CA 1.818 53.662 52.037 -0.321 0.000 0.627 439 A CB -0.540 17.962 19.000 -0.830 0.000 0.818 439 A HN 0.656 nan 8.150 nan 0.000 0.445 440 Q N -0.989 118.685 119.800 -0.211 0.000 2.137 440 Q HA 0.051 4.391 4.340 0.000 0.000 0.198 440 Q C 2.396 178.353 176.000 -0.071 0.000 0.960 440 Q CA 1.040 56.742 55.803 -0.167 0.000 0.847 440 Q CB -0.317 28.331 28.738 -0.151 0.000 0.915 440 Q HN 0.673 nan 8.270 nan 0.000 0.448 441 A N 0.704 123.482 122.820 -0.070 0.000 1.972 441 A HA -0.165 4.156 4.320 0.000 0.000 0.219 441 A C 1.998 179.551 177.584 -0.053 0.000 1.169 441 A CA 1.181 53.187 52.037 -0.052 0.000 0.635 441 A CB -0.436 18.525 19.000 -0.064 0.000 0.810 441 A HN 0.295 nan 8.150 nan 0.000 0.446 442 M N -0.679 118.900 119.600 -0.035 0.000 2.279 442 M HA -0.124 4.356 4.480 0.000 0.000 0.264 442 M C 2.419 178.789 176.300 0.117 0.000 1.062 442 M CA 1.125 56.401 55.300 -0.040 0.000 1.099 442 M CB -0.303 32.370 32.600 0.122 0.000 1.394 442 M HN 0.520 nan 8.290 nan 0.000 0.426 443 A N 0.649 123.566 122.820 0.161 0.000 1.841 443 A HA -0.109 4.211 4.320 0.000 0.000 0.214 443 A C 2.003 179.728 177.584 0.234 0.000 1.195 443 A CA 1.274 53.474 52.037 0.271 0.000 0.611 443 A CB -0.939 18.233 19.000 0.286 0.000 0.835 443 A HN 0.435 nan 8.150 nan 0.000 0.443 444 L N -0.711 120.585 121.223 0.122 0.000 2.127 444 L HA -0.210 4.130 4.340 0.000 0.000 0.211 444 L C 2.757 179.656 176.870 0.047 0.000 1.089 444 L CA 1.768 56.648 54.840 0.067 0.000 0.757 444 L CB -0.478 41.596 42.059 0.025 0.000 0.899 444 L HN 0.493 nan 8.230 nan 0.000 0.434 445 R N -0.664 119.848 120.500 0.020 0.000 2.092 445 R HA -0.229 4.111 4.340 0.000 0.000 0.231 445 R C 2.463 178.833 176.300 0.116 0.000 1.119 445 R CA 1.468 57.544 56.100 -0.041 0.000 0.970 445 R CB -0.386 29.729 30.300 -0.309 0.000 0.864 445 R HN 0.284 nan 8.270 nan 0.000 0.440 446 Y N 0.911 121.296 120.300 0.141 0.000 2.224 446 Y HA -0.191 4.359 4.550 0.000 0.000 0.289 446 Y C 1.927 177.982 175.900 0.259 0.000 1.146 446 Y CA 1.662 59.944 58.100 0.304 0.000 1.182 446 Y CB -0.133 38.546 38.460 0.364 0.000 0.983 446 Y HN -0.126 nan 8.280 nan 0.000 0.524 447 V N 0.767 120.758 119.914 0.128 0.000 2.261 447 V HA -0.329 3.792 4.120 0.000 0.000 0.246 447 V C 2.330 178.385 176.094 -0.065 0.000 1.047 447 V CA 2.415 64.624 62.300 -0.152 0.000 1.015 447 V CB -0.766 30.878 31.823 -0.299 0.000 0.642 447 V HN 0.312 nan 8.190 nan 0.000 0.446 448 R N -0.267 120.219 120.500 -0.023 0.000 2.081 448 R HA -0.129 4.212 4.340 0.000 0.000 0.235 448 R C 2.423 178.731 176.300 0.012 0.000 1.131 448 R CA 1.343 57.439 56.100 -0.008 0.000 0.960 448 R CB -0.409 29.889 30.300 -0.003 0.000 0.856 448 R HN 0.538 nan 8.270 nan 0.000 0.436 449 E N 1.061 121.281 120.200 0.033 0.000 2.033 449 E HA -0.218 4.132 4.350 0.000 0.000 0.199 449 E C 2.067 178.667 176.600 -0.000 0.000 1.011 449 E CA 1.464 57.891 56.400 0.045 0.000 0.815 449 E CB -0.113 29.663 29.700 0.126 0.000 0.755 449 E HN 0.317 nan 8.360 nan 0.000 0.451 450 L N 0.803 121.996 121.223 -0.050 0.000 2.141 450 L HA -0.133 4.207 4.340 0.000 0.000 0.209 450 L C 2.670 179.564 176.870 0.039 0.000 1.094 450 L CA 1.302 56.117 54.840 -0.043 0.000 0.763 450 L CB -0.548 41.448 42.059 -0.104 0.000 0.908 450 L HN 0.155 nan 8.230 nan 0.000 0.437 451 S N -0.640 115.100 115.700 0.066 0.000 2.481 451 S HA 0.037 4.507 4.470 0.000 0.000 0.231 451 S C 1.499 176.115 174.600 0.027 0.000 0.996 451 S CA 0.715 58.949 58.200 0.058 0.000 0.942 451 S CB 0.313 63.535 63.200 0.036 0.000 0.768 451 S HN 0.568 nan 8.310 nan 0.000 0.520 452 G N 0.143 108.953 108.800 0.018 0.000 2.175 452 G HA2 -0.159 3.801 3.960 0.000 0.000 0.182 452 G HA3 -0.159 3.801 3.960 0.000 0.000 0.182 452 G C -0.282 174.625 174.900 0.012 0.000 1.003 452 G CA -0.157 44.950 45.100 0.012 0.000 0.666 452 G HN 0.553 nan 8.290 nan 0.000 0.506 453 E N 0.236 120.443 120.200 0.012 0.000 2.392 453 E HA 0.542 4.892 4.350 0.000 0.000 0.259 453 E C 0.810 177.419 176.600 0.015 0.000 1.108 453 E CA 0.123 56.529 56.400 0.011 0.000 0.916 453 E CB 0.870 30.574 29.700 0.007 0.000 0.989 453 E HN 0.608 nan 8.360 nan 0.000 0.432 454 A N 1.742 124.569 122.820 0.013 0.000 2.362 454 A HA 0.303 4.623 4.320 0.000 0.000 0.276 454 A C 0.338 177.933 177.584 0.017 0.000 1.153 454 A CA -0.353 51.693 52.037 0.015 0.000 0.813 454 A CB 0.436 19.444 19.000 0.013 0.000 1.081 454 A HN 0.430 nan 8.150 nan 0.000 0.507 455 V N 2.061 121.989 119.914 0.023 0.000 3.177 455 V HA 0.211 4.331 4.120 0.000 0.000 0.220 455 V C 1.304 177.415 176.094 0.027 0.000 1.395 455 V CA 0.708 63.020 62.300 0.020 0.000 1.317 455 V CB -0.763 31.071 31.823 0.018 0.000 1.148 455 V HN 0.998 nan 8.190 nan 0.000 0.499 456 A N 1.159 124.003 122.820 0.040 0.000 2.444 456 A HA 0.363 4.683 4.320 0.000 0.000 0.273 456 A C 1.384 178.976 177.584 0.014 0.000 1.136 456 A CA 0.812 52.872 52.037 0.038 0.000 0.799 456 A CB 0.737 19.763 19.000 0.044 0.000 1.081 456 A HN 0.484 nan 8.150 nan 0.000 0.509 457 V N 4.388 124.317 119.914 0.026 0.000 2.392 457 V HA -0.186 3.934 4.120 0.000 0.000 0.249 457 V C 1.738 177.807 176.094 -0.042 0.000 1.059 457 V CA 2.301 64.620 62.300 0.031 0.000 1.051 457 V CB -0.559 31.341 31.823 0.127 0.000 0.658 457 V HN 0.789 nan 8.190 nan 0.000 0.455 458 L N -0.052 121.081 121.223 -0.150 0.000 2.622 458 L HA 0.045 4.385 4.340 0.000 0.000 0.233 458 L C 2.254 179.051 176.870 -0.121 0.000 1.156 458 L CA 1.030 55.729 54.840 -0.236 0.000 0.866 458 L CB -0.332 41.479 42.059 -0.414 0.000 0.980 458 L HN 0.457 nan 8.230 nan 0.000 0.448 459 E N -1.259 118.903 120.200 -0.064 0.000 2.473 459 E HA 0.082 4.432 4.350 0.000 0.000 0.204 459 E C 0.221 176.808 176.600 -0.020 0.000 0.994 459 E CA -0.162 56.216 56.400 -0.036 0.000 0.945 459 E CB 0.820 30.509 29.700 -0.019 0.000 0.990 459 E HN 0.133 nan 8.360 nan 0.000 0.493 460 V N 3.242 123.147 119.914 -0.014 0.000 2.521 460 V HA 0.012 4.132 4.120 0.000 0.000 0.286 460 V C 0.431 176.524 176.094 -0.001 0.000 1.034 460 V CA 0.225 62.524 62.300 -0.001 0.000 1.045 460 V CB 0.497 32.326 31.823 0.010 0.000 0.974 460 V HN 0.199 nan 8.190 nan 0.000 0.480 461 M N 6.211 125.812 119.600 0.002 0.000 2.274 461 M HA 0.424 4.905 4.480 0.000 0.000 0.344 461 M C -1.285 175.022 176.300 0.011 0.000 1.161 461 M CA -1.900 53.403 55.300 0.005 0.000 1.126 461 M CB 0.070 32.673 32.600 0.004 0.000 1.522 461 M HN 0.546 nan 8.290 nan 0.000 0.461 462 P HA 0.000 nan 4.420 nan 0.000 0.216 462 P CA 0.000 63.111 63.100 0.019 0.000 0.800 462 P CB 0.000 31.713 31.700 0.022 0.000 0.726