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 1jro_1_C DATA FIRST_RESID 1 DATA SEQUENCE MEIAFLLNGE TRRVRIEDPT QSLLELLRAE 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 0.000 176.315 176.300 0.025 0.000 1.140 1 M CA 0.000 55.317 55.300 0.028 0.000 0.988 1 M CB 0.000 32.619 32.600 0.032 0.000 1.302 2 E N 5.395 125.606 120.200 0.019 0.000 2.176 2 E HA 0.720 5.074 4.350 0.006 0.000 0.267 2 E C -1.541 175.075 176.600 0.026 0.000 0.893 2 E CA -0.740 55.674 56.400 0.024 0.000 0.761 2 E CB 1.724 31.434 29.700 0.018 0.000 1.133 2 E HN 0.683 nan 8.360 nan 0.000 0.409 3 I N 0.363 120.968 120.570 0.058 0.000 2.846 3 I HA 0.887 5.061 4.170 0.006 0.000 0.307 3 I C -1.002 175.208 176.117 0.155 0.000 1.053 3 I CA -0.836 60.517 61.300 0.088 0.000 1.050 3 I CB 2.198 40.252 38.000 0.091 0.000 1.239 3 I HN 0.450 nan 8.210 nan 0.000 0.439 4 A N 3.990 126.925 122.820 0.192 0.000 2.401 4 A HA 0.958 5.282 4.320 0.006 0.000 0.310 4 A C -1.049 176.770 177.584 0.392 0.000 1.075 4 A CA -0.533 51.614 52.037 0.184 0.000 0.746 4 A CB 1.132 20.214 19.000 0.137 0.000 1.277 4 A HN 1.002 nan 8.150 nan 0.000 0.425 5 F N -0.621 119.382 119.950 0.089 0.000 2.719 5 F HA 0.651 5.181 4.527 0.005 0.000 0.309 5 F C -1.595 173.990 175.800 -0.358 0.000 1.138 5 F CA -1.207 56.772 58.000 -0.036 0.000 0.943 5 F CB 0.947 39.922 39.000 -0.041 0.000 1.304 5 F HN 0.447 nan 8.300 nan 0.000 0.445 6 L N 2.901 123.702 121.223 -0.703 0.000 2.319 6 L HA 0.594 4.938 4.340 0.006 0.000 0.280 6 L C -0.960 175.800 176.870 -0.182 0.000 1.099 6 L CA -0.481 53.947 54.840 -0.687 0.000 0.828 6 L CB 1.091 42.557 42.059 -0.989 0.000 1.150 6 L HN 0.693 nan 8.230 nan 0.000 0.442 7 L N 5.923 127.055 121.223 -0.151 0.000 2.294 7 L HA 0.472 4.816 4.340 0.006 0.000 0.283 7 L C -0.001 176.852 176.870 -0.028 0.000 1.015 7 L CA 0.012 54.849 54.840 -0.003 0.000 0.831 7 L CB 0.531 42.602 42.059 0.019 0.000 1.217 7 L HN 0.701 nan 8.230 nan 0.000 0.420 8 N N 4.698 123.399 118.700 0.002 0.000 2.699 8 N HA -0.240 4.504 4.740 0.006 0.000 0.256 8 N C 1.005 176.516 175.510 0.002 0.000 0.993 8 N CA 1.227 54.286 53.050 0.015 0.000 0.759 8 N CB -0.916 37.581 38.487 0.018 0.000 0.906 8 N HN 1.195 nan 8.380 nan 0.000 0.541 9 G N -0.872 107.916 108.800 -0.021 0.000 2.199 9 G HA2 -0.323 3.641 3.960 0.006 0.000 0.254 9 G HA3 -0.323 3.641 3.960 0.006 0.000 0.254 9 G C -0.178 174.685 174.900 -0.062 0.000 0.982 9 G CA 0.653 45.739 45.100 -0.024 0.000 0.632 9 G HN 0.639 nan 8.290 nan 0.000 0.529 10 E N 0.916 121.055 120.200 -0.100 0.000 2.238 10 E HA 0.574 4.927 4.350 0.006 0.000 0.267 10 E C 0.156 176.646 176.600 -0.184 0.000 0.887 10 E CA -0.159 56.178 56.400 -0.106 0.000 0.769 10 E CB 1.139 30.788 29.700 -0.084 0.000 1.187 10 E HN 0.206 nan 8.360 nan 0.000 0.416 11 T N 2.024 116.485 114.554 -0.156 0.000 2.884 11 T HA 0.465 4.819 4.350 0.006 0.000 0.298 11 T C -0.024 174.528 174.700 -0.247 0.000 0.998 11 T CA -0.620 61.367 62.100 -0.189 0.000 1.124 11 T CB 0.979 69.820 68.868 -0.045 0.000 0.931 11 T HN 0.313 nan 8.240 nan 0.000 0.531 12 R N 0.994 121.246 120.500 -0.413 0.000 2.621 12 R HA 0.454 4.798 4.340 0.006 0.000 0.284 12 R C -1.069 174.943 176.300 -0.480 0.000 0.998 12 R CA -0.685 55.112 56.100 -0.504 0.000 0.895 12 R CB 1.311 31.125 30.300 -0.810 0.000 1.195 12 R HN 0.590 nan 8.270 nan 0.000 0.450 13 R N 2.827 123.175 120.500 -0.254 0.000 2.437 13 R HA 0.617 4.961 4.340 0.006 0.000 0.310 13 R C -1.085 175.177 176.300 -0.063 0.000 0.955 13 R CA -0.944 55.084 56.100 -0.120 0.000 0.851 13 R CB 2.100 32.365 30.300 -0.058 0.000 1.161 13 R HN 0.288 nan 8.270 nan 0.000 0.446 14 V N 2.969 122.895 119.914 0.020 0.000 2.709 14 V HA 0.410 4.534 4.120 0.006 0.000 0.308 14 V C 0.020 176.150 176.094 0.060 0.000 1.062 14 V CA -0.951 61.386 62.300 0.061 0.000 0.901 14 V CB 2.654 34.572 31.823 0.157 0.000 1.003 14 V HN 0.600 nan 8.190 nan 0.000 0.425 15 R N 3.339 123.865 120.500 0.044 0.000 2.210 15 R HA 0.518 4.861 4.340 0.006 0.000 0.338 15 R C -0.775 175.550 176.300 0.043 0.000 1.062 15 R CA -0.324 55.798 56.100 0.037 0.000 0.902 15 R CB 0.456 30.773 30.300 0.029 0.000 1.050 15 R HN 0.609 nan 8.270 nan 0.000 0.461 16 I N 4.084 124.679 120.570 0.042 0.000 2.396 16 I HA 0.015 4.188 4.170 0.006 0.000 0.289 16 I C 1.113 177.256 176.117 0.044 0.000 1.056 16 I CA 0.364 61.689 61.300 0.041 0.000 1.365 16 I CB 1.244 39.264 38.000 0.033 0.000 1.407 16 I HN 0.633 nan 8.210 nan 0.000 0.509 17 E N 3.052 123.278 120.200 0.045 0.000 2.399 17 E HA 0.046 4.399 4.350 0.006 0.000 0.205 17 E C -0.297 176.335 176.600 0.054 0.000 0.906 17 E CA 0.190 56.618 56.400 0.047 0.000 0.998 17 E CB 0.647 30.371 29.700 0.040 0.000 1.002 17 E HN 0.498 nan 8.360 nan 0.000 0.501 18 D N 1.106 121.539 120.400 0.055 0.000 2.462 18 D HA 0.144 4.788 4.640 0.006 0.000 0.245 18 D C -2.117 174.228 176.300 0.074 0.000 1.122 18 D CA -2.395 51.643 54.000 0.064 0.000 0.864 18 D CB 1.736 42.569 40.800 0.056 0.000 1.098 18 D HN -0.224 nan 8.370 nan 0.000 0.541 19 P HA 0.047 nan 4.420 nan 0.000 0.236 19 P C 1.031 178.439 177.300 0.179 0.000 1.177 19 P CA 0.405 63.595 63.100 0.150 0.000 0.773 19 P CB 0.515 32.358 31.700 0.237 0.000 0.878 20 T N -1.389 113.246 114.554 0.134 0.000 3.065 20 T HA 0.024 4.378 4.350 0.006 0.000 0.252 20 T C 0.792 175.539 174.700 0.079 0.000 1.099 20 T CA -0.085 62.090 62.100 0.124 0.000 1.063 20 T CB -0.325 68.604 68.868 0.102 0.000 0.948 20 T HN 0.138 nan 8.240 nan 0.000 0.506 21 Q N 2.284 122.119 119.800 0.058 0.000 2.349 21 Q HA 0.121 4.464 4.340 0.006 0.000 0.287 21 Q C 0.077 176.086 176.000 0.016 0.000 1.044 21 Q CA -0.209 55.615 55.803 0.035 0.000 0.918 21 Q CB 0.539 29.294 28.738 0.029 0.000 1.242 21 Q HN 0.425 nan 8.270 nan 0.000 0.405 22 S N 3.221 118.926 115.700 0.009 0.000 2.632 22 S HA 0.082 4.555 4.470 0.006 0.000 0.271 22 S C 0.869 175.451 174.600 -0.029 0.000 1.260 22 S CA -0.858 57.336 58.200 -0.011 0.000 1.010 22 S CB 1.119 64.317 63.200 -0.004 0.000 0.965 22 S HN 0.771 nan 8.310 nan 0.000 0.534 23 L N 1.966 123.155 121.223 -0.057 0.000 2.042 23 L HA -0.024 4.320 4.340 0.006 0.000 0.210 23 L C 2.074 178.916 176.870 -0.046 0.000 1.076 23 L CA 1.846 56.640 54.840 -0.078 0.000 0.749 23 L CB -1.410 40.582 42.059 -0.111 0.000 0.893 23 L HN 0.884 nan 8.230 nan 0.000 0.432 24 L N -0.156 121.048 121.223 -0.032 0.000 2.017 24 L HA -0.184 4.159 4.340 0.006 0.000 0.208 24 L C 2.441 179.308 176.870 -0.005 0.000 1.073 24 L CA 1.910 56.739 54.840 -0.018 0.000 0.745 24 L CB -0.917 41.136 42.059 -0.011 0.000 0.894 24 L HN 0.408 nan 8.230 nan 0.000 0.432 25 E N -0.112 120.089 120.200 0.001 0.000 2.110 25 E HA -0.258 4.096 4.350 0.006 0.000 0.193 25 E C 2.274 178.881 176.600 0.011 0.000 0.988 25 E CA 1.612 58.019 56.400 0.011 0.000 0.804 25 E CB -0.688 29.022 29.700 0.017 0.000 0.745 25 E HN 0.610 nan 8.360 nan 0.000 0.458 26 L N 0.788 122.014 121.223 0.006 0.000 2.046 26 L HA -0.129 4.214 4.340 0.006 0.000 0.208 26 L C 2.360 179.243 176.870 0.022 0.000 1.077 26 L CA 1.081 55.932 54.840 0.017 0.000 0.747 26 L CB -0.171 41.899 42.059 0.018 0.000 0.896 26 L HN 0.027 nan 8.230 nan 0.000 0.432 27 L N -0.639 120.591 121.223 0.012 0.000 2.056 27 L HA -0.150 4.194 4.340 0.006 0.000 0.207 27 L C 2.780 179.657 176.870 0.013 0.000 1.078 27 L CA 1.208 56.057 54.840 0.015 0.000 0.749 27 L CB -0.456 41.603 42.059 0.001 0.000 0.901 27 L HN 0.210 nan 8.230 nan 0.000 0.433 28 R N -0.252 120.254 120.500 0.010 0.000 2.189 28 R HA -0.053 4.291 4.340 0.006 0.000 0.223 28 R C 2.106 178.416 176.300 0.017 0.000 1.092 28 R CA 1.062 57.169 56.100 0.012 0.000 0.989 28 R CB -0.248 30.061 30.300 0.014 0.000 0.876 28 R HN 0.314 nan 8.270 nan 0.000 0.457 29 A N 0.576 123.408 122.820 0.019 0.000 2.178 29 A HA -0.006 4.318 4.320 0.006 0.000 0.211 29 A C 1.467 179.063 177.584 0.020 0.000 1.157 29 A CA 0.543 52.593 52.037 0.020 0.000 0.780 29 A CB 0.220 19.233 19.000 0.023 0.000 0.828 29 A HN 0.039 nan 8.150 nan 0.000 0.476 30 E N -0.985 119.228 120.200 0.021 0.000 2.479 30 E HA 0.167 4.520 4.350 0.006 0.000 0.193 30 E C 1.247 177.855 176.600 0.014 0.000 1.049 30 E CA 0.634 57.047 56.400 0.020 0.000 0.870 30 E CB 0.175 29.893 29.700 0.029 0.000 0.944 30 E HN 0.714 nan 8.360 nan 0.000 0.492 31 G N 1.196 110.004 108.800 0.013 0.000 2.175 31 G HA2 -0.272 3.691 3.960 0.006 0.000 0.244 31 G HA3 -0.272 3.691 3.960 0.006 0.000 0.244 31 G C 0.438 175.341 174.900 0.006 0.000 0.982 31 G CA 0.133 45.238 45.100 0.009 0.000 0.641 31 G HN 0.271 nan 8.290 nan 0.000 0.527 32 L N 2.081 123.308 121.223 0.006 0.000 2.391 32 L HA 0.258 4.602 4.340 0.006 0.000 0.249 32 L C 1.938 178.804 176.870 -0.007 0.000 1.308 32 L CA 0.218 55.059 54.840 0.000 0.000 1.209 32 L CB 0.217 42.279 42.059 0.005 0.000 1.401 32 L HN 0.153 nan 8.230 nan 0.000 0.416 33 T N 0.739 115.289 114.554 -0.007 0.000 3.098 33 T HA -0.087 4.267 4.350 0.006 0.000 0.266 33 T C 1.821 176.501 174.700 -0.034 0.000 1.145 33 T CA 1.275 63.369 62.100 -0.010 0.000 1.092 33 T CB 0.052 68.921 68.868 0.000 0.000 0.908 33 T HN 0.783 nan 8.240 nan 0.000 0.526 34 G N 0.597 109.374 108.800 -0.038 0.000 2.484 34 G HA2 -0.046 3.918 3.960 0.006 0.000 0.218 34 G HA3 -0.046 3.918 3.960 0.006 0.000 0.218 34 G C 0.688 175.531 174.900 -0.094 0.000 1.130 34 G CA 0.335 45.398 45.100 -0.061 0.000 0.784 34 G HN 0.416 nan 8.290 nan 0.000 0.543 35 T N 2.120 116.629 114.554 -0.075 0.000 2.780 35 T HA 0.440 4.793 4.350 0.006 0.000 0.294 35 T C -0.024 174.610 174.700 -0.110 0.000 0.949 35 T CA -0.302 61.745 62.100 -0.088 0.000 1.074 35 T CB 1.651 70.487 68.868 -0.053 0.000 0.910 35 T HN -0.050 nan 8.240 nan 0.000 0.501 36 K N 2.336 122.631 120.400 -0.176 0.000 2.185 36 K HA 0.396 4.720 4.320 0.006 0.000 0.240 36 K C -0.038 176.524 176.600 -0.064 0.000 0.983 36 K CA -0.752 55.393 56.287 -0.237 0.000 0.873 36 K CB 1.910 33.992 32.500 -0.698 0.000 1.118 36 K HN 0.674 nan 8.250 nan 0.000 0.441 37 E N 0.313 120.561 120.200 0.079 0.000 2.149 37 E HA 0.320 4.674 4.350 0.006 0.000 0.255 37 E C 0.097 176.849 176.600 0.253 0.000 0.888 37 E CA -0.443 56.036 56.400 0.131 0.000 0.742 37 E CB 0.576 30.341 29.700 0.108 0.000 1.164 37 E HN 0.764 nan 8.360 nan 0.000 0.422 38 G N 2.419 111.354 108.800 0.225 0.000 2.762 38 G HA2 -0.033 3.931 3.960 0.006 0.000 0.209 38 G HA3 -0.033 3.931 3.960 0.006 0.000 0.209 38 G C 0.977 175.949 174.900 0.121 0.000 1.134 38 G CA 0.757 46.001 45.100 0.240 0.000 0.781 38 G HN 0.718 nan 8.290 nan 0.000 0.528 39 C N -3.787 115.566 119.300 0.088 0.000 4.543 39 C HA 0.413 4.876 4.460 0.006 0.000 0.546 39 C C 1.015 176.035 174.990 0.050 0.000 1.292 39 C CA 0.381 59.435 59.018 0.060 0.000 2.519 39 C CB -0.512 27.259 27.740 0.053 0.000 3.583 39 C HN 0.376 nan 8.230 nan 0.000 0.489 40 N N 1.425 120.154 118.700 0.048 0.000 2.776 40 N HA -0.227 4.517 4.740 0.006 0.000 0.250 40 N C 0.284 175.813 175.510 0.031 0.000 1.112 40 N CA 1.171 54.244 53.050 0.038 0.000 0.733 40 N CB -0.685 37.827 38.487 0.042 0.000 1.097 40 N HN 0.893 nan 8.380 nan 0.000 0.558 41 E N -1.509 118.707 120.200 0.028 0.000 2.702 41 E HA 0.179 4.533 4.350 0.006 0.000 0.225 41 E C 1.090 177.698 176.600 0.014 0.000 0.942 41 E CA 0.638 57.053 56.400 0.024 0.000 1.210 41 E CB 0.450 30.167 29.700 0.030 0.000 1.143 41 E HN 0.482 nan 8.360 nan 0.000 0.544 42 G N 1.566 110.372 108.800 0.011 0.000 2.268 42 G HA2 -0.343 3.621 3.960 0.006 0.000 0.240 42 G HA3 -0.343 3.621 3.960 0.006 0.000 0.240 42 G C 0.678 175.581 174.900 0.006 0.000 1.010 42 G CA 0.679 45.781 45.100 0.004 0.000 0.618 42 G HN 0.356 nan 8.290 nan 0.000 0.516 43 D N -0.326 120.082 120.400 0.014 0.000 2.224 43 D HA 0.051 4.694 4.640 0.006 0.000 0.205 43 D C 2.549 178.863 176.300 0.024 0.000 0.965 43 D CA 1.825 55.836 54.000 0.017 0.000 0.852 43 D CB -0.170 40.643 40.800 0.023 0.000 0.947 43 D HN 0.836 nan 8.370 nan 0.000 0.494 44 C N -2.347 116.972 119.300 0.031 0.000 2.865 44 C HA 0.626 5.090 4.460 0.006 0.000 0.280 44 C C 2.087 177.084 174.990 0.012 0.000 1.255 44 C CA 0.244 59.289 59.018 0.044 0.000 1.705 44 C CB -0.209 27.580 27.740 0.081 0.000 2.080 44 C HN 0.379 nan 8.230 nan 0.000 0.591 45 G N 0.747 109.536 108.800 -0.019 0.000 2.179 45 G HA2 -0.158 3.806 3.960 0.006 0.000 0.260 45 G HA3 -0.158 3.806 3.960 0.006 0.000 0.260 45 G C 1.181 176.045 174.900 -0.060 0.000 0.977 45 G CA 0.624 45.682 45.100 -0.071 0.000 0.641 45 G HN 1.444 nan 8.290 nan 0.000 0.533 46 A N -0.113 122.703 122.820 -0.006 0.000 2.119 46 A HA 0.241 4.564 4.320 0.006 0.000 0.217 46 A C 2.364 179.912 177.584 -0.061 0.000 1.153 46 A CA 2.302 54.332 52.037 -0.012 0.000 0.692 46 A CB -0.771 18.268 19.000 0.066 0.000 0.799 46 A HN 1.752 nan 8.150 nan 0.000 0.458 47 C N -2.060 117.214 119.300 -0.042 0.000 2.780 47 C HA 0.348 4.811 4.460 0.006 0.000 0.287 47 C C 0.809 175.767 174.990 -0.053 0.000 1.288 47 C CA -0.529 58.460 59.018 -0.049 0.000 1.713 47 C CB -2.076 25.648 27.740 -0.027 0.000 1.955 47 C HN 0.307 nan 8.230 nan 0.000 0.613 48 T N 3.028 117.546 114.554 -0.061 0.000 2.905 48 T HA 0.351 4.705 4.350 0.006 0.000 0.299 48 T C 0.337 175.004 174.700 -0.055 0.000 1.024 48 T CA 1.049 63.111 62.100 -0.063 0.000 1.151 48 T CB 0.395 69.215 68.868 -0.080 0.000 0.987 48 T HN 0.958 nan 8.240 nan 0.000 0.535 49 V N 1.341 121.224 119.914 -0.052 0.000 3.102 49 V HA 0.736 4.859 4.120 0.006 0.000 0.312 49 V C -0.566 175.502 176.094 -0.043 0.000 1.135 49 V CA -1.426 60.847 62.300 -0.046 0.000 1.022 49 V CB 2.399 34.193 31.823 -0.048 0.000 1.056 49 V HN 0.837 nan 8.190 nan 0.000 0.436 50 M N 3.476 123.056 119.600 -0.033 0.000 2.149 50 M HA 0.668 5.152 4.480 0.006 0.000 0.342 50 M C -0.870 175.415 176.300 -0.026 0.000 1.068 50 M CA -0.737 54.547 55.300 -0.027 0.000 0.991 50 M CB 1.177 33.767 32.600 -0.017 0.000 1.596 50 M HN 0.886 nan 8.290 nan 0.000 0.439 51 I N 1.574 122.126 120.570 -0.030 0.000 2.863 51 I HA 0.759 4.933 4.170 0.006 0.000 0.311 51 I C -0.974 175.138 176.117 -0.009 0.000 1.026 51 I CA -0.965 60.319 61.300 -0.026 0.000 1.077 51 I CB 2.087 40.059 38.000 -0.047 0.000 1.262 51 I HN 0.782 nan 8.210 nan 0.000 0.461 52 R N 2.269 122.775 120.500 0.009 0.000 2.535 52 R HA 0.416 4.760 4.340 0.006 0.000 0.274 52 R C -2.156 174.177 176.300 0.055 0.000 1.090 52 R CA -0.247 55.868 56.100 0.026 0.000 0.930 52 R CB 2.044 32.364 30.300 0.032 0.000 1.223 52 R HN 1.045 nan 8.270 nan 0.000 0.441 53 D N 2.737 123.164 120.400 0.044 0.000 3.009 53 D HA 0.305 4.949 4.640 0.006 0.000 0.318 53 D C 0.429 176.750 176.300 0.034 0.000 1.273 53 D CA -0.116 53.918 54.000 0.057 0.000 1.001 53 D CB 0.215 41.039 40.800 0.041 0.000 1.411 53 D HN 0.344 nan 8.370 nan 0.000 0.577 54 A N -0.285 122.549 122.820 0.023 0.000 1.969 54 A HA 0.227 4.551 4.320 0.006 0.000 0.218 54 A C 2.082 179.667 177.584 0.001 0.000 1.169 54 A CA 2.214 54.257 52.037 0.011 0.000 0.635 54 A CB -1.350 17.652 19.000 0.004 0.000 0.810 54 A HN 0.747 nan 8.150 nan 0.000 0.445 55 A N -1.550 121.266 122.820 -0.005 0.000 2.172 55 A HA 0.419 4.743 4.320 0.006 0.000 0.216 55 A C 1.531 179.109 177.584 -0.010 0.000 1.154 55 A CA 1.658 53.688 52.037 -0.013 0.000 0.701 55 A CB -0.899 18.088 19.000 -0.023 0.000 0.789 55 A HN 2.045 nan 8.150 nan 0.000 0.465 56 G N -1.448 107.350 108.800 -0.003 0.000 2.342 56 G HA2 0.254 4.218 3.960 0.006 0.000 0.220 56 G HA3 0.254 4.218 3.960 0.006 0.000 0.220 56 G C -0.097 174.802 174.900 -0.002 0.000 1.243 56 G CA 0.069 45.168 45.100 -0.003 0.000 1.083 56 G HN 1.607 nan 8.290 nan 0.000 0.500 57 S N -0.389 115.308 115.700 -0.005 0.000 2.532 57 S HA 0.906 5.380 4.470 0.006 0.000 0.301 57 S C -0.166 174.427 174.600 -0.012 0.000 1.083 57 S CA 0.254 58.451 58.200 -0.005 0.000 1.025 57 S CB 1.983 65.182 63.200 -0.000 0.000 1.056 57 S HN 1.497 nan 8.310 nan 0.000 0.494 58 R N 0.686 121.176 120.500 -0.017 0.000 2.680 58 R HA 0.784 5.128 4.340 0.006 0.000 0.269 58 R C -1.212 175.072 176.300 -0.026 0.000 1.026 58 R CA -1.187 54.900 56.100 -0.022 0.000 0.889 58 R CB 1.305 31.588 30.300 -0.028 0.000 1.241 58 R HN 0.745 nan 8.270 nan 0.000 0.463 59 A N 1.518 124.322 122.820 -0.027 0.000 2.310 59 A HA 0.687 5.011 4.320 0.006 0.000 0.299 59 A C 0.160 177.721 177.584 -0.040 0.000 1.147 59 A CA -0.471 51.545 52.037 -0.035 0.000 0.818 59 A CB 0.962 19.940 19.000 -0.036 0.000 1.096 59 A HN 0.785 nan 8.150 nan 0.000 0.495 60 V N -0.151 119.736 119.914 -0.045 0.000 3.181 60 V HA 0.569 4.693 4.120 0.006 0.000 0.308 60 V C -0.778 175.287 176.094 -0.048 0.000 1.214 60 V CA -1.465 60.807 62.300 -0.046 0.000 1.053 60 V CB 1.988 33.781 31.823 -0.051 0.000 1.069 60 V HN 0.738 nan 8.190 nan 0.000 0.441 61 N N 1.344 120.018 118.700 -0.043 0.000 2.408 61 N HA 0.429 5.173 4.740 0.006 0.000 0.257 61 N C 0.962 176.446 175.510 -0.044 0.000 1.064 61 N CA 0.404 53.430 53.050 -0.040 0.000 0.952 61 N CB 1.843 40.312 38.487 -0.029 0.000 1.093 61 N HN 1.036 nan 8.380 nan 0.000 0.490 62 A N 1.567 124.359 122.820 -0.046 0.000 2.121 62 A HA -0.136 4.188 4.320 0.006 0.000 0.218 62 A C 2.155 179.715 177.584 -0.040 0.000 1.154 62 A CA 0.832 52.839 52.037 -0.051 0.000 0.679 62 A CB -0.531 18.438 19.000 -0.052 0.000 0.795 62 A HN 0.880 nan 8.150 nan 0.000 0.458 63 C N -2.076 117.209 119.300 -0.026 0.000 2.464 63 C HA 0.262 4.725 4.460 0.006 0.000 0.278 63 C C 2.074 177.054 174.990 -0.017 0.000 1.375 63 C CA 0.417 59.427 59.018 -0.013 0.000 1.761 63 C CB -1.476 26.265 27.740 0.001 0.000 1.944 63 C HN 0.448 nan 8.230 nan 0.000 0.509 64 L N -0.258 120.950 121.223 -0.025 0.000 2.567 64 L HA 0.275 4.619 4.340 0.006 0.000 0.225 64 L C 1.156 178.004 176.870 -0.036 0.000 1.119 64 L CA 0.230 55.052 54.840 -0.030 0.000 0.871 64 L CB -0.244 41.797 42.059 -0.031 0.000 1.036 64 L HN 0.365 nan 8.230 nan 0.000 0.459 65 M N 0.976 120.549 119.600 -0.046 0.000 2.129 65 M HA 0.372 4.856 4.480 0.006 0.000 0.348 65 M C -0.420 175.839 176.300 -0.069 0.000 1.116 65 M CA -0.091 55.170 55.300 -0.065 0.000 1.022 65 M CB 1.346 33.892 32.600 -0.090 0.000 1.599 65 M HN -0.037 nan 8.290 nan 0.000 0.449 66 M N 3.445 123.008 119.600 -0.061 0.000 2.283 66 M HA 0.251 4.735 4.480 0.006 0.000 0.314 66 M C 0.870 177.064 176.300 -0.177 0.000 1.153 66 M CA -0.375 54.887 55.300 -0.064 0.000 1.084 66 M CB 1.089 33.718 32.600 0.049 0.000 1.468 66 M HN 0.774 nan 8.290 nan 0.000 0.474 67 L N 1.393 122.514 121.223 -0.171 0.000 2.017 67 L HA -0.118 4.226 4.340 0.006 0.000 0.208 67 L C -0.629 176.059 176.870 -0.305 0.000 1.073 67 L CA 1.754 56.456 54.840 -0.229 0.000 0.745 67 L CB -1.637 40.334 42.059 -0.147 0.000 0.894 67 L HN 0.554 nan 8.230 nan 0.000 0.432 68 P HA -0.228 nan 4.420 nan 0.000 0.217 68 P C 1.355 178.385 177.300 -0.449 0.000 1.148 68 P CA 1.313 64.121 63.100 -0.487 0.000 0.834 68 P CB -0.005 31.176 31.700 -0.866 0.000 0.783 69 Q N -0.805 118.688 119.800 -0.512 0.000 2.364 69 Q HA -0.105 4.238 4.340 0.006 0.000 0.209 69 Q C 1.663 177.562 176.000 -0.167 0.000 0.977 69 Q CA 0.856 56.474 55.803 -0.307 0.000 0.885 69 Q CB -0.516 28.051 28.738 -0.285 0.000 0.941 69 Q HN 0.427 nan 8.270 nan 0.000 0.464 70 I N -3.686 116.760 120.570 -0.207 0.000 3.904 70 I HA 0.382 4.556 4.170 0.006 0.000 0.333 70 I C 0.244 176.325 176.117 -0.060 0.000 1.361 70 I CA -0.723 60.468 61.300 -0.182 0.000 1.116 70 I CB 0.145 37.920 38.000 -0.375 0.000 1.028 70 I HN -0.193 nan 8.210 nan 0.000 0.398 71 A N 1.744 124.568 122.820 0.007 0.000 2.524 71 A HA 0.463 4.787 4.320 0.006 0.000 0.250 71 A C 1.491 179.158 177.584 0.138 0.000 1.078 71 A CA 0.660 52.736 52.037 0.065 0.000 0.761 71 A CB -0.566 18.399 19.000 -0.058 0.000 1.012 71 A HN 1.133 nan 8.150 nan 0.000 0.500 72 G N 1.863 110.808 108.800 0.242 0.000 2.157 72 G HA2 -0.203 3.761 3.960 0.006 0.000 0.248 72 G HA3 -0.203 3.761 3.960 0.006 0.000 0.248 72 G C 0.231 175.358 174.900 0.379 0.000 0.979 72 G CA 0.686 45.937 45.100 0.252 0.000 0.650 72 G HN 0.809 nan 8.290 nan 0.000 0.529 73 K N -0.053 120.559 120.400 0.354 0.000 2.211 73 K HA 0.777 5.101 4.320 0.006 0.000 0.237 73 K C 0.000 176.728 176.600 0.213 0.000 1.002 73 K CA -0.141 56.298 56.287 0.254 0.000 0.885 73 K CB 1.888 34.442 32.500 0.091 0.000 1.136 73 K HN 0.492 nan 8.250 nan 0.000 0.448 74 A N 1.850 124.740 122.820 0.117 0.000 2.271 74 A HA 0.422 4.746 4.320 0.006 0.000 0.317 74 A C -1.210 176.374 177.584 -0.001 0.000 1.245 74 A CA -0.576 51.447 52.037 -0.023 0.000 0.857 74 A CB 0.356 19.342 19.000 -0.022 0.000 1.175 74 A HN 0.492 nan 8.150 nan 0.000 0.512 75 L N 2.566 123.793 121.223 0.008 0.000 2.287 75 L HA 0.738 5.081 4.340 0.006 0.000 0.287 75 L C -0.136 176.744 176.870 0.016 0.000 1.022 75 L CA -0.252 54.592 54.840 0.008 0.000 0.814 75 L CB 1.174 43.240 42.059 0.012 0.000 1.217 75 L HN 0.680 nan 8.230 nan 0.000 0.420 76 R N 2.350 122.855 120.500 0.008 0.000 2.393 76 R HA 0.642 4.986 4.340 0.006 0.000 0.315 76 R C -0.334 175.972 176.300 0.009 0.000 0.952 76 R CA -0.114 55.998 56.100 0.021 0.000 0.842 76 R CB 1.316 31.634 30.300 0.030 0.000 1.163 76 R HN 0.854 nan 8.270 nan 0.000 0.450 77 T N 0.134 114.696 114.554 0.013 0.000 2.910 77 T HA 0.232 4.585 4.350 0.006 0.000 0.279 77 T C 1.223 175.925 174.700 0.004 0.000 0.989 77 T CA -0.747 61.353 62.100 -0.001 0.000 0.968 77 T CB 0.732 69.597 68.868 -0.004 0.000 1.135 77 T HN 0.420 nan 8.240 nan 0.000 0.562 78 I N 1.454 122.018 120.570 -0.010 0.000 2.264 78 I HA -0.163 4.011 4.170 0.006 0.000 0.248 78 I C 2.346 178.467 176.117 0.007 0.000 1.111 78 I CA 1.709 63.005 61.300 -0.007 0.000 1.382 78 I CB -0.634 37.353 38.000 -0.022 0.000 1.060 78 I HN 0.801 nan 8.210 nan 0.000 0.418 79 E N -0.156 120.045 120.200 0.002 0.000 2.463 79 E HA -0.081 4.273 4.350 0.006 0.000 0.201 79 E C 1.675 178.285 176.600 0.018 0.000 1.045 79 E CA 1.025 57.427 56.400 0.005 0.000 0.872 79 E CB -0.723 28.975 29.700 -0.003 0.000 0.797 79 E HN 0.606 nan 8.360 nan 0.000 0.538 80 G N 0.622 109.446 108.800 0.040 0.000 3.651 80 G HA2 0.195 4.159 3.960 0.006 0.000 0.279 80 G HA3 0.195 4.159 3.960 0.006 0.000 0.279 80 G C 1.097 176.089 174.900 0.153 0.000 1.024 80 G CA -0.364 44.780 45.100 0.073 0.000 0.813 80 G HN 0.032 nan 8.290 nan 0.000 0.518 81 I N 1.409 122.063 120.570 0.140 0.000 2.584 81 I HA 0.170 4.344 4.170 0.006 0.000 0.255 81 I C 1.924 178.289 176.117 0.413 0.000 1.145 81 I CA 0.041 61.478 61.300 0.228 0.000 1.462 81 I CB -0.759 37.290 38.000 0.082 0.000 1.102 81 I HN 0.155 nan 8.210 nan 0.000 0.433 82 A N 1.111 124.052 122.820 0.201 0.000 2.366 82 A HA 0.588 4.912 4.320 0.006 0.000 0.249 82 A C 0.635 178.015 177.584 -0.341 0.000 1.084 82 A CA 0.040 52.112 52.037 0.058 0.000 0.794 82 A CB 0.133 19.111 19.000 -0.037 0.000 1.034 82 A HN 0.292 nan 8.150 nan 0.000 0.491 83 A N 1.960 124.186 122.820 -0.990 0.000 2.406 83 A HA 0.508 4.832 4.320 0.006 0.000 0.243 83 A C -1.250 175.932 177.584 -0.670 0.000 1.082 83 A CA -0.855 50.237 52.037 -1.575 0.000 0.786 83 A CB -0.507 17.385 19.000 -1.848 0.000 1.029 83 A HN 0.599 nan 8.150 nan 0.000 0.495 84 P HA -0.181 nan 4.420 nan 0.000 0.216 84 P C 0.374 177.549 177.300 -0.208 0.000 1.150 84 P CA 1.921 64.872 63.100 -0.247 0.000 0.843 84 P CB -0.186 31.416 31.700 -0.163 0.000 0.787 85 D N -2.623 117.635 120.400 -0.237 0.000 2.324 85 D HA 0.197 4.841 4.640 0.006 0.000 0.235 85 D C 1.320 177.521 176.300 -0.165 0.000 1.095 85 D CA 0.481 54.381 54.000 -0.167 0.000 0.871 85 D CB -0.810 39.907 40.800 -0.140 0.000 0.906 85 D HN 0.202 nan 8.370 nan 0.000 0.522 86 G N 0.370 109.048 108.800 -0.203 0.000 2.199 86 G HA2 -0.380 3.583 3.960 0.006 0.000 0.254 86 G HA3 -0.380 3.583 3.960 0.006 0.000 0.254 86 G C 0.454 175.258 174.900 -0.159 0.000 0.982 86 G CA -0.211 44.795 45.100 -0.156 0.000 0.632 86 G HN 0.421 nan 8.290 nan 0.000 0.529 87 R N 0.505 120.877 120.500 -0.213 0.000 2.537 87 R HA 0.367 4.711 4.340 0.006 0.000 0.281 87 R C 1.134 177.361 176.300 -0.120 0.000 0.988 87 R CA 0.078 56.080 56.100 -0.163 0.000 1.077 87 R CB 0.098 30.279 30.300 -0.197 0.000 0.932 87 R HN 0.379 nan 8.270 nan 0.000 0.409 88 L N 3.449 124.667 121.223 -0.008 0.000 2.439 88 L HA 0.093 4.437 4.340 0.006 0.000 0.269 88 L C 1.043 178.038 176.870 0.207 0.000 1.179 88 L CA -0.296 54.591 54.840 0.078 0.000 0.828 88 L CB 0.385 42.482 42.059 0.063 0.000 1.106 88 L HN 0.553 nan 8.230 nan 0.000 0.467 89 H N 4.535 123.732 119.070 0.212 0.000 2.897 89 H HA 0.038 4.597 4.556 0.006 0.000 0.347 89 H C -1.818 173.548 175.328 0.063 0.000 1.068 89 H CA -1.464 54.733 56.048 0.247 0.000 1.426 89 H CB 1.552 31.433 29.762 0.197 0.000 1.410 89 H HN 0.331 nan 8.280 nan 0.000 0.597 90 P HA -0.215 nan 4.420 nan 0.000 0.218 90 P C 1.676 179.043 177.300 0.112 0.000 1.152 90 P CA 1.037 64.157 63.100 0.034 0.000 0.857 90 P CB 0.275 31.902 31.700 -0.121 0.000 0.787 91 V N -0.895 119.161 119.914 0.238 0.000 2.548 91 V HA -0.237 3.887 4.120 0.006 0.000 0.249 91 V C 2.481 178.604 176.094 0.049 0.000 1.055 91 V CA 1.687 64.027 62.300 0.066 0.000 1.065 91 V CB -0.995 30.787 31.823 -0.068 0.000 0.681 91 V HN 0.188 nan 8.190 nan 0.000 0.462 92 Q N -0.639 119.210 119.800 0.083 0.000 2.020 92 Q HA -0.302 4.042 4.340 0.006 0.000 0.202 92 Q C 2.346 178.373 176.000 0.045 0.000 0.982 92 Q CA 2.038 57.875 55.803 0.058 0.000 0.838 92 Q CB -0.225 28.565 28.738 0.087 0.000 0.899 92 Q HN 0.526 nan 8.270 nan 0.000 0.423 93 Q N 0.583 120.418 119.800 0.058 0.000 2.084 93 Q HA -0.114 4.230 4.340 0.006 0.000 0.202 93 Q C 1.826 177.844 176.000 0.029 0.000 0.978 93 Q CA 1.798 57.621 55.803 0.033 0.000 0.844 93 Q CB -0.390 28.372 28.738 0.040 0.000 0.898 93 Q HN 0.369 nan 8.270 nan 0.000 0.426 94 A N -0.034 122.821 122.820 0.057 0.000 1.933 94 A HA -0.144 4.180 4.320 0.006 0.000 0.218 94 A C 2.009 179.644 177.584 0.084 0.000 1.175 94 A CA 1.621 53.720 52.037 0.104 0.000 0.628 94 A CB -0.489 18.571 19.000 0.101 0.000 0.814 94 A HN 0.441 nan 8.150 nan 0.000 0.444 95 M N -0.639 118.978 119.600 0.028 0.000 2.229 95 M HA -0.038 4.446 4.480 0.006 0.000 0.264 95 M C 2.047 178.323 176.300 -0.040 0.000 1.063 95 M CA 1.162 56.461 55.300 -0.002 0.000 1.114 95 M CB -0.883 31.709 32.600 -0.014 0.000 1.387 95 M HN 0.438 nan 8.290 nan 0.000 0.420 96 I N 0.230 120.770 120.570 -0.051 0.000 2.202 96 I HA -0.275 3.898 4.170 0.006 0.000 0.242 96 I C 1.715 177.691 176.117 -0.235 0.000 1.091 96 I CA 1.120 62.356 61.300 -0.106 0.000 1.368 96 I CB -0.510 37.450 38.000 -0.067 0.000 1.058 96 I HN 0.201 nan 8.210 nan 0.000 0.410 97 D N -0.384 119.899 120.400 -0.196 0.000 2.264 97 D HA -0.138 4.506 4.640 0.006 0.000 0.208 97 D C 1.737 177.709 176.300 -0.546 0.000 0.966 97 D CA 1.265 55.064 54.000 -0.335 0.000 0.864 97 D CB -0.158 40.492 40.800 -0.250 0.000 0.933 97 D HN 0.439 nan 8.370 nan 0.000 0.499 98 H N -0.665 118.231 119.070 -0.291 0.000 2.755 98 H HA 0.086 4.645 4.556 0.006 0.000 0.273 98 H C -0.064 175.186 175.328 -0.129 0.000 1.055 98 H CA 0.059 56.001 56.048 -0.177 0.000 1.191 98 H CB 0.479 30.200 29.762 -0.069 0.000 1.536 98 H HN 0.244 nan 8.280 nan 0.000 0.529 99 H N -0.795 118.303 119.070 0.047 0.000 2.880 99 H HA -0.108 4.452 4.556 0.006 0.000 0.304 99 H C 1.503 176.823 175.328 -0.013 0.000 1.259 99 H CA 0.651 56.702 56.048 0.005 0.000 1.153 99 H CB -1.908 27.852 29.762 -0.002 0.000 1.395 99 H HN 0.549 nan 8.280 nan 0.000 0.420 100 G N 0.276 109.088 108.800 0.021 0.000 2.776 100 G HA2 0.147 4.111 3.960 0.006 0.000 0.209 100 G HA3 0.147 4.111 3.960 0.006 0.000 0.209 100 G C 0.667 175.514 174.900 -0.088 0.000 1.145 100 G CA 0.731 45.800 45.100 -0.051 0.000 0.791 100 G HN 0.594 nan 8.290 nan 0.000 0.530 101 S N -2.211 113.471 115.700 -0.031 0.000 2.564 101 S HA 0.649 5.122 4.470 0.006 0.000 0.274 101 S C -0.171 174.429 174.600 0.000 0.000 1.124 101 S CA -0.792 57.388 58.200 -0.033 0.000 0.869 101 S CB 2.450 65.641 63.200 -0.015 0.000 1.105 101 S HN 0.143 nan 8.310 nan 0.000 0.472 102 Q N -0.053 119.743 119.800 -0.006 0.000 2.274 102 Q HA 0.127 4.471 4.340 0.006 0.000 0.172 102 Q C 2.235 178.245 176.000 0.017 0.000 0.613 102 Q CA 0.625 56.430 55.803 0.002 0.000 0.789 102 Q CB -0.431 28.297 28.738 -0.017 0.000 1.125 102 Q HN 0.974 nan 8.270 nan 0.000 0.501 103 C N -0.056 119.257 119.300 0.023 0.000 2.432 103 C HA 0.346 4.810 4.460 0.006 0.000 0.280 103 C C 1.803 176.845 174.990 0.085 0.000 1.353 103 C CA 0.681 59.729 59.018 0.049 0.000 1.766 103 C CB -0.947 26.821 27.740 0.048 0.000 1.924 103 C HN 0.873 nan 8.230 nan 0.000 0.509 104 G N -0.405 108.447 108.800 0.086 0.000 2.284 104 G HA2 -0.349 3.615 3.960 0.006 0.000 0.230 104 G HA3 -0.349 3.615 3.960 0.006 0.000 0.230 104 G C 0.553 175.541 174.900 0.147 0.000 1.021 104 G CA 0.509 45.665 45.100 0.094 0.000 0.619 104 G HN 0.541 nan 8.290 nan 0.000 0.510 105 F N 1.945 121.915 119.950 0.033 0.000 2.293 105 F HA 0.019 4.547 4.527 0.002 0.000 0.300 105 F C 2.746 178.591 175.800 0.074 0.000 1.086 105 F CA 2.314 60.341 58.000 0.046 0.000 1.375 105 F CB -0.024 38.998 39.000 0.037 0.000 1.045 105 F HN 0.591 nan 8.300 nan 0.000 0.516 106 C N -2.141 117.305 119.300 0.243 0.000 2.791 106 C HA 0.221 4.685 4.460 0.006 0.000 0.270 106 C C 2.280 177.420 174.990 0.251 0.000 1.257 106 C CA 0.339 59.512 59.018 0.258 0.000 1.699 106 C CB -1.627 26.341 27.740 0.380 0.000 1.904 106 C HN 0.307 nan 8.230 nan 0.000 0.603 107 T N 3.065 117.698 114.554 0.130 0.000 2.701 107 T HA -0.040 4.314 4.350 0.006 0.000 0.263 107 T C -0.335 174.424 174.700 0.097 0.000 1.040 107 T CA 2.235 64.403 62.100 0.115 0.000 1.147 107 T CB -1.206 67.694 68.868 0.052 0.000 0.865 107 T HN 0.396 nan 8.240 nan 0.000 0.426 108 P HA -0.080 nan 4.420 nan 0.000 0.216 108 P C 1.701 179.003 177.300 0.005 0.000 1.153 108 P CA 1.273 64.368 63.100 -0.008 0.000 0.858 108 P CB -0.469 31.188 31.700 -0.071 0.000 0.789 109 G N -2.077 106.723 108.800 -0.000 0.000 2.422 109 G HA2 -0.224 3.740 3.960 0.006 0.000 0.218 109 G HA3 -0.224 3.740 3.960 0.006 0.000 0.218 109 G C 1.334 176.208 174.900 -0.043 0.000 1.140 109 G CA 0.197 45.271 45.100 -0.043 0.000 0.775 109 G HN 0.174 nan 8.290 nan 0.000 0.545 110 F N 0.597 120.545 119.950 -0.004 0.000 2.146 110 F HA 0.043 4.573 4.527 0.005 0.000 0.298 110 F C 2.579 178.368 175.800 -0.019 0.000 1.096 110 F CA 0.549 58.553 58.000 0.007 0.000 1.275 110 F CB 0.085 39.099 39.000 0.024 0.000 1.008 110 F HN -0.012 nan 8.300 nan 0.000 0.480 111 I N -0.534 120.124 120.570 0.147 0.000 2.226 111 I HA -0.234 3.940 4.170 0.006 0.000 0.245 111 I C 2.413 178.511 176.117 -0.032 0.000 1.100 111 I CA 1.159 62.480 61.300 0.034 0.000 1.374 111 I CB -1.349 36.655 38.000 0.007 0.000 1.057 111 I HN -0.034 nan 8.210 nan 0.000 0.413 112 V N 0.209 120.107 119.914 -0.027 0.000 2.307 112 V HA -0.236 3.887 4.120 0.006 0.000 0.245 112 V C 2.614 178.682 176.094 -0.044 0.000 1.045 112 V CA 1.801 64.072 62.300 -0.048 0.000 1.024 112 V CB -0.623 31.174 31.823 -0.043 0.000 0.651 112 V HN 0.353 nan 8.190 nan 0.000 0.449 113 S N -0.427 115.249 115.700 -0.040 0.000 2.365 113 S HA -0.260 4.214 4.470 0.006 0.000 0.225 113 S C 1.958 176.571 174.600 0.021 0.000 1.039 113 S CA 2.098 60.280 58.200 -0.028 0.000 1.033 113 S CB -0.365 62.794 63.200 -0.068 0.000 0.887 113 S HN 0.467 nan 8.310 nan 0.000 0.447 114 M N 0.609 120.233 119.600 0.039 0.000 2.175 114 M HA -0.089 4.394 4.480 0.006 0.000 0.264 114 M C 2.409 178.726 176.300 0.028 0.000 1.063 114 M CA 1.306 56.650 55.300 0.073 0.000 1.119 114 M CB -0.464 32.173 32.600 0.061 0.000 1.377 114 M HN 0.409 nan 8.290 nan 0.000 0.415 115 A N 0.288 123.054 122.820 -0.091 0.000 1.898 115 A HA -0.008 4.316 4.320 0.006 0.000 0.216 115 A C 2.340 179.922 177.584 -0.003 0.000 1.181 115 A CA 1.751 53.667 52.037 -0.200 0.000 0.620 115 A CB -0.850 17.923 19.000 -0.378 0.000 0.819 115 A HN 0.476 nan 8.150 nan 0.000 0.442 116 A N -0.099 122.722 122.820 0.001 0.000 1.902 116 A HA 0.177 4.501 4.320 0.006 0.000 0.217 116 A C 2.477 180.095 177.584 0.057 0.000 1.181 116 A CA 2.000 54.050 52.037 0.023 0.000 0.623 116 A CB -0.954 18.046 19.000 0.001 0.000 0.818 116 A HN 1.032 nan 8.150 nan 0.000 0.443 117 A N -1.485 121.386 122.820 0.084 0.000 1.933 117 A HA -0.206 4.118 4.320 0.006 0.000 0.218 117 A C 2.122 179.783 177.584 0.128 0.000 1.175 117 A CA 1.652 53.748 52.037 0.098 0.000 0.628 117 A CB -0.917 18.173 19.000 0.149 0.000 0.814 117 A HN 0.735 nan 8.150 nan 0.000 0.444 118 H N -0.421 118.695 119.070 0.077 0.000 2.353 118 H HA -0.171 4.389 4.556 0.007 0.000 0.300 118 H C 1.887 177.242 175.328 0.046 0.000 1.090 118 H CA 2.046 58.149 56.048 0.091 0.000 1.327 118 H CB -0.198 29.658 29.762 0.156 0.000 1.383 118 H HN 0.551 nan 8.280 nan 0.000 0.508 119 D N -0.025 120.479 120.400 0.173 0.000 2.203 119 D HA -0.157 4.487 4.640 0.006 0.000 0.199 119 D C 1.677 177.974 176.300 -0.006 0.000 0.997 119 D CA 1.265 55.306 54.000 0.068 0.000 0.863 119 D CB 0.057 40.889 40.800 0.052 0.000 0.928 119 D HN 0.278 nan 8.370 nan 0.000 0.458 120 R N -0.622 119.869 120.500 -0.014 0.000 2.472 120 R HA 0.078 4.422 4.340 0.006 0.000 0.279 120 R C -0.181 176.083 176.300 -0.060 0.000 0.953 120 R CA 0.208 56.286 56.100 -0.035 0.000 1.088 120 R CB 0.657 30.942 30.300 -0.026 0.000 1.197 120 R HN 0.020 nan 8.270 nan 0.000 0.536 121 D N 1.607 121.954 120.400 -0.087 0.000 2.772 121 D HA -0.168 4.476 4.640 0.006 0.000 0.233 121 D C -0.786 175.458 176.300 -0.093 0.000 1.143 121 D CA 0.741 54.672 54.000 -0.116 0.000 0.700 121 D CB -0.182 40.550 40.800 -0.113 0.000 1.076 121 D HN 0.113 nan 8.370 nan 0.000 0.430 122 R N 0.271 120.725 120.500 -0.077 0.000 2.404 122 R HA 0.334 4.678 4.340 0.006 0.000 0.291 122 R C 1.289 177.451 176.300 -0.229 0.000 1.025 122 R CA -0.242 55.786 56.100 -0.120 0.000 0.991 122 R CB 0.971 31.218 30.300 -0.089 0.000 1.053 122 R HN 0.145 nan 8.270 nan 0.000 0.479 123 K N 0.637 120.823 120.400 -0.356 0.000 2.447 123 K HA 0.040 4.364 4.320 0.006 0.000 0.205 123 K C -0.430 175.647 176.600 -0.873 0.000 1.059 123 K CA -0.017 55.840 56.287 -0.717 0.000 1.065 123 K CB 0.732 33.012 32.500 -0.367 0.000 0.885 123 K HN 0.515 nan 8.250 nan 0.000 0.545 124 D N 0.862 120.958 120.400 -0.507 0.000 2.551 124 D HA -0.029 4.615 4.640 0.006 0.000 0.223 124 D C 0.408 176.556 176.300 -0.253 0.000 1.144 124 D CA -0.225 53.586 54.000 -0.315 0.000 1.025 124 D CB -0.211 40.491 40.800 -0.162 0.000 1.085 124 D HN 0.161 nan 8.370 nan 0.000 0.506 125 Y N 0.852 121.154 120.300 0.005 0.000 2.114 125 Y HA -0.225 4.329 4.550 0.007 0.000 0.284 125 Y C 2.015 177.919 175.900 0.007 0.000 1.143 125 Y CA 1.000 59.110 58.100 0.016 0.000 1.135 125 Y CB -0.067 38.411 38.460 0.030 0.000 0.980 125 Y HN 0.196 nan 8.280 nan 0.000 0.499 126 D N 0.223 120.717 120.400 0.157 0.000 2.149 126 D HA -0.193 4.451 4.640 0.006 0.000 0.194 126 D C 1.462 177.783 176.300 0.035 0.000 1.001 126 D CA 1.790 55.829 54.000 0.065 0.000 0.849 126 D CB -0.363 40.455 40.800 0.030 0.000 0.939 126 D HN 0.494 nan 8.370 nan 0.000 0.449 127 D N -0.275 120.138 120.400 0.022 0.000 2.213 127 D HA -0.056 4.588 4.640 0.006 0.000 0.205 127 D C 2.126 178.434 176.300 0.013 0.000 0.961 127 D CA 0.032 54.037 54.000 0.008 0.000 0.853 127 D CB 0.129 40.926 40.800 -0.006 0.000 0.967 127 D HN 0.117 nan 8.370 nan 0.000 0.496 128 L N 0.479 121.720 121.223 0.030 0.000 2.217 128 L HA -0.001 4.342 4.340 0.006 0.000 0.211 128 L C 2.130 179.014 176.870 0.024 0.000 1.107 128 L CA 1.119 55.980 54.840 0.035 0.000 0.783 128 L CB -0.658 41.450 42.059 0.081 0.000 0.919 128 L HN 0.037 nan 8.230 nan 0.000 0.442 129 L N -1.829 119.420 121.223 0.044 0.000 2.693 129 L HA 0.214 4.558 4.340 0.006 0.000 0.235 129 L C 2.312 179.140 176.870 -0.070 0.000 1.127 129 L CA 0.224 55.051 54.840 -0.022 0.000 0.914 129 L CB -0.402 41.722 42.059 0.109 0.000 1.193 129 L HN 0.073 nan 8.230 nan 0.000 0.502 130 A N 1.024 123.820 122.820 -0.040 0.000 1.927 130 A HA -0.206 4.117 4.320 0.006 0.000 0.220 130 A C 2.047 179.600 177.584 -0.052 0.000 1.185 130 A CA 2.062 54.072 52.037 -0.046 0.000 0.639 130 A CB -0.932 18.063 19.000 -0.009 0.000 0.820 130 A HN 0.444 nan 8.150 nan 0.000 0.451 131 G N -0.987 107.775 108.800 -0.063 0.000 3.383 131 G HA2 0.314 4.278 3.960 0.006 0.000 0.251 131 G HA3 0.314 4.278 3.960 0.006 0.000 0.251 131 G C -0.155 174.670 174.900 -0.125 0.000 1.203 131 G CA -0.235 44.827 45.100 -0.063 0.000 0.852 131 G HN 0.517 nan 8.290 nan 0.000 0.531 132 N N 0.214 118.776 118.700 -0.229 0.000 2.479 132 N HA 0.466 5.210 4.740 0.006 0.000 0.261 132 N C -0.616 174.854 175.510 -0.067 0.000 0.979 132 N CA -0.437 52.368 53.050 -0.409 0.000 0.930 132 N CB 2.175 39.877 38.487 -1.308 0.000 1.172 132 N HN -0.019 nan 8.380 nan 0.000 0.499 133 L N 1.352 122.664 121.223 0.149 0.000 2.334 133 L HA 0.541 4.884 4.340 0.006 0.000 0.277 133 L C -0.298 176.868 176.870 0.493 0.000 1.075 133 L CA -0.727 54.322 54.840 0.350 0.000 0.804 133 L CB 1.137 43.327 42.059 0.218 0.000 1.174 133 L HN 0.534 nan 8.230 nan 0.000 0.438 134 C N 3.235 122.825 119.300 0.484 0.000 2.397 134 C HA 0.437 4.901 4.460 0.006 0.000 0.325 134 C C 1.026 175.959 174.990 -0.095 0.000 1.201 134 C CA -0.685 58.417 59.018 0.139 0.000 1.377 134 C CB 1.406 29.112 27.740 -0.057 0.000 2.038 134 C HN 0.962 nan 8.230 nan 0.000 0.457 135 R N 2.549 123.033 120.500 -0.028 0.000 2.276 135 R HA 0.206 4.550 4.340 0.006 0.000 0.196 135 R C 1.400 177.638 176.300 -0.103 0.000 0.961 135 R CA 1.491 57.558 56.100 -0.056 0.000 1.024 135 R CB -0.596 29.700 30.300 -0.007 0.000 0.940 135 R HN 0.891 nan 8.270 nan 0.000 0.480 136 C N -1.989 117.240 119.300 -0.119 0.000 2.513 136 C HA 0.168 4.632 4.460 0.006 0.000 0.292 136 C C 2.145 177.046 174.990 -0.148 0.000 1.359 136 C CA 0.715 59.669 59.018 -0.107 0.000 1.778 136 C CB -0.195 27.504 27.740 -0.068 0.000 2.180 136 C HN 0.597 nan 8.230 nan 0.000 0.509 137 T N -2.306 112.114 114.554 -0.223 0.000 3.044 137 T HA 0.365 4.719 4.350 0.006 0.000 0.250 137 T C 1.601 176.180 174.700 -0.202 0.000 1.081 137 T CA 1.153 63.140 62.100 -0.188 0.000 1.040 137 T CB -0.074 68.673 68.868 -0.202 0.000 0.962 137 T HN 0.948 nan 8.240 nan 0.000 0.506 138 G N 0.843 109.447 108.800 -0.327 0.000 2.148 138 G HA2 -0.364 3.600 3.960 0.006 0.000 0.254 138 G HA3 -0.364 3.600 3.960 0.006 0.000 0.254 138 G C 0.576 175.422 174.900 -0.090 0.000 0.981 138 G CA 0.489 45.456 45.100 -0.223 0.000 0.670 138 G HN 0.642 nan 8.290 nan 0.000 0.528 139 Y N -2.743 117.534 120.300 -0.038 0.000 2.884 139 Y HA -0.413 4.141 4.550 0.007 0.000 0.483 139 Y C 2.875 178.744 175.900 -0.052 0.000 1.209 139 Y CA 2.604 60.676 58.100 -0.046 0.000 2.681 139 Y CB -1.925 36.552 38.460 0.028 0.000 0.894 139 Y HN 1.194 nan 8.280 nan 0.000 0.529 140 A N 0.584 123.471 122.820 0.112 0.000 1.896 140 A HA -0.241 4.082 4.320 0.006 0.000 0.220 140 A C -0.006 177.583 177.584 0.007 0.000 1.206 140 A CA 2.580 54.650 52.037 0.055 0.000 0.647 140 A CB -1.829 17.198 19.000 0.046 0.000 0.828 140 A HN 0.542 nan 8.150 nan 0.000 0.455 141 P HA -0.110 nan 4.420 nan 0.000 0.218 141 P C 1.502 178.763 177.300 -0.065 0.000 1.149 141 P CA 1.091 64.190 63.100 -0.001 0.000 0.817 141 P CB -0.210 31.506 31.700 0.028 0.000 0.785 142 I N -0.605 119.906 120.570 -0.099 0.000 2.252 142 I HA -0.190 3.983 4.170 0.006 0.000 0.245 142 I C 2.747 178.773 176.117 -0.152 0.000 1.102 142 I CA 0.939 62.149 61.300 -0.150 0.000 1.385 142 I CB -0.690 37.160 38.000 -0.249 0.000 1.064 142 I HN -0.115 nan 8.210 nan 0.000 0.414 143 L N 0.806 121.962 121.223 -0.111 0.000 2.012 143 L HA -0.262 4.081 4.340 0.006 0.000 0.210 143 L C 2.909 179.646 176.870 -0.221 0.000 1.073 143 L CA 1.711 56.451 54.840 -0.166 0.000 0.748 143 L CB -0.318 41.705 42.059 -0.060 0.000 0.891 143 L HN 0.222 nan 8.230 nan 0.000 0.431 144 R N -0.684 119.693 120.500 -0.205 0.000 2.091 144 R HA -0.179 4.165 4.340 0.006 0.000 0.238 144 R C 2.262 178.232 176.300 -0.550 0.000 1.136 144 R CA 1.406 57.294 56.100 -0.352 0.000 0.959 144 R CB -0.431 29.651 30.300 -0.362 0.000 0.856 144 R HN 0.450 nan 8.270 nan 0.000 0.437 145 A N 0.973 123.539 122.820 -0.423 0.000 1.930 145 A HA -0.060 4.264 4.320 0.006 0.000 0.217 145 A C 2.321 179.776 177.584 -0.216 0.000 1.175 145 A CA 1.521 53.376 52.037 -0.303 0.000 0.627 145 A CB -0.501 18.429 19.000 -0.118 0.000 0.815 145 A HN 0.397 nan 8.150 nan 0.000 0.443 146 A N -0.224 122.422 122.820 -0.290 0.000 1.930 146 A HA -0.141 4.182 4.320 0.006 0.000 0.217 146 A C 1.905 179.365 177.584 -0.207 0.000 1.175 146 A CA 1.585 53.413 52.037 -0.349 0.000 0.627 146 A CB -0.443 17.991 19.000 -0.943 0.000 0.815 146 A HN 0.620 nan 8.150 nan 0.000 0.443 147 E N -0.433 119.641 120.200 -0.209 0.000 2.150 147 E HA -0.046 4.307 4.350 0.006 0.000 0.193 147 E C 2.141 178.736 176.600 -0.007 0.000 0.985 147 E CA 0.813 57.188 56.400 -0.042 0.000 0.814 147 E CB -0.190 29.481 29.700 -0.048 0.000 0.752 147 E HN 0.620 nan 8.360 nan 0.000 0.466 148 A N 0.824 123.609 122.820 -0.059 0.000 2.067 148 A HA 0.114 4.437 4.320 0.006 0.000 0.217 148 A C 2.182 179.812 177.584 0.077 0.000 1.156 148 A CA 1.109 53.162 52.037 0.027 0.000 0.683 148 A CB -0.095 18.951 19.000 0.078 0.000 0.808 148 A HN 0.253 nan 8.150 nan 0.000 0.455 149 A N -0.482 122.387 122.820 0.082 0.000 2.072 149 A HA 0.436 4.760 4.320 0.006 0.000 0.216 149 A C 2.265 180.014 177.584 0.276 0.000 1.156 149 A CA 1.189 53.315 52.037 0.149 0.000 0.701 149 A CB -0.566 18.501 19.000 0.112 0.000 0.816 149 A HN 0.822 nan 8.150 nan 0.000 0.458 150 A N -0.040 122.910 122.820 0.218 0.000 1.972 150 A HA 0.167 4.491 4.320 0.006 0.000 0.219 150 A C 1.922 179.566 177.584 0.101 0.000 1.169 150 A CA 1.369 53.513 52.037 0.178 0.000 0.635 150 A CB -0.976 18.123 19.000 0.166 0.000 0.810 150 A HN 0.786 nan 8.150 nan 0.000 0.446 151 G N 0.140 109.001 108.800 0.101 0.000 3.452 151 G HA2 0.396 4.360 3.960 0.006 0.000 0.258 151 G HA3 0.396 4.360 3.960 0.006 0.000 0.258 151 G C -0.188 174.763 174.900 0.086 0.000 1.305 151 G CA -0.186 44.956 45.100 0.070 0.000 1.514 151 G HN 0.344 nan 8.290 nan 0.000 0.593 152 E N 0.942 121.225 120.200 0.137 0.000 2.292 152 E HA 0.264 4.618 4.350 0.006 0.000 0.272 152 E C -2.653 174.027 176.600 0.133 0.000 0.881 152 E CA -1.811 54.669 56.400 0.133 0.000 0.754 152 E CB 2.719 32.506 29.700 0.144 0.000 1.201 152 E HN 0.017 nan 8.360 nan 0.000 0.425 153 P HA 0.076 nan 4.420 nan 0.000 0.264 153 P C -2.448 174.886 177.300 0.058 0.000 1.183 153 P CA -0.880 62.236 63.100 0.027 0.000 0.763 153 P CB -0.550 31.154 31.700 0.008 0.000 0.807 154 P HA 0.018 nan 4.420 nan 0.000 0.266 154 P C -0.165 177.006 177.300 -0.216 0.000 1.193 154 P CA 0.209 63.314 63.100 0.009 0.000 0.770 154 P CB 0.195 31.865 31.700 -0.050 0.000 0.836 155 A N 2.415 124.934 122.820 -0.502 0.000 2.522 155 A HA 0.059 4.383 4.320 0.006 0.000 0.256 155 A C 1.144 178.309 177.584 -0.698 0.000 1.086 155 A CA 0.066 51.482 52.037 -1.035 0.000 0.763 155 A CB -0.485 17.434 19.000 -1.803 0.000 1.024 155 A HN 0.689 nan 8.150 nan 0.000 0.502 156 D N 1.908 122.073 120.400 -0.392 0.000 2.144 156 D HA -0.253 4.391 4.640 0.006 0.000 0.200 156 D C 1.339 177.604 176.300 -0.059 0.000 0.978 156 D CA 1.580 55.508 54.000 -0.119 0.000 0.833 156 D CB -0.520 40.307 40.800 0.045 0.000 0.961 156 D HN 0.840 nan 8.370 nan 0.000 0.470 157 W N 0.931 122.239 121.300 0.014 0.000 2.421 157 W HA 0.098 4.762 4.660 0.007 0.000 0.270 157 W C 1.393 177.933 176.519 0.035 0.000 1.233 157 W CA 0.164 57.522 57.345 0.021 0.000 1.226 157 W CB -0.487 28.983 29.460 0.016 0.000 1.121 157 W HN -0.025 nan 8.180 nan 0.000 0.579 158 L N 0.613 121.603 121.223 -0.388 0.000 2.162 158 L HA -0.079 4.265 4.340 0.006 0.000 0.205 158 L C 2.842 179.671 176.870 -0.068 0.000 1.086 158 L CA 1.266 56.002 54.840 -0.173 0.000 0.778 158 L CB -0.754 41.162 42.059 -0.239 0.000 0.928 158 L HN 0.072 nan 8.230 nan 0.000 0.446 159 Q N 0.047 119.792 119.800 -0.093 0.000 2.124 159 Q HA -0.165 4.178 4.340 0.006 0.000 0.202 159 Q C 2.324 178.330 176.000 0.010 0.000 0.977 159 Q CA 1.424 57.206 55.803 -0.034 0.000 0.850 159 Q CB -0.283 28.428 28.738 -0.045 0.000 0.901 159 Q HN 0.513 nan 8.270 nan 0.000 0.429 160 A N 1.423 124.261 122.820 0.031 0.000 2.139 160 A HA -0.223 4.101 4.320 0.006 0.000 0.221 160 A C 1.224 178.851 177.584 0.072 0.000 1.159 160 A CA 1.636 53.709 52.037 0.059 0.000 0.662 160 A CB -0.316 18.735 19.000 0.084 0.000 0.796 160 A HN 0.227 nan 8.150 nan 0.000 0.463 161 D N -0.191 120.250 120.400 0.067 0.000 2.348 161 D HA 0.105 4.749 4.640 0.006 0.000 0.216 161 D C 2.051 178.418 176.300 0.112 0.000 0.970 161 D CA 0.930 54.979 54.000 0.082 0.000 0.889 161 D CB -0.252 40.580 40.800 0.053 0.000 0.912 161 D HN 0.453 nan 8.370 nan 0.000 0.524 162 A N 1.128 123.996 122.820 0.080 0.000 1.986 162 A HA -0.136 4.188 4.320 0.006 0.000 0.220 162 A C 2.095 179.734 177.584 0.092 0.000 1.171 162 A CA 1.688 53.770 52.037 0.075 0.000 0.640 162 A CB -0.564 18.462 19.000 0.042 0.000 0.811 162 A HN 0.220 nan 8.150 nan 0.000 0.451 163 A N -1.661 121.216 122.820 0.096 0.000 2.236 163 A HA 0.368 4.692 4.320 0.006 0.000 0.214 163 A C 0.368 178.032 177.584 0.133 0.000 1.287 163 A CA -0.099 51.991 52.037 0.088 0.000 0.909 163 A CB -0.864 18.181 19.000 0.075 0.000 0.839 163 A HN 0.488 nan 8.150 nan 0.000 0.486 164 F N -0.984 118.975 119.950 0.016 0.000 2.397 164 F HA 0.431 4.963 4.527 0.007 0.000 0.331 164 F C 1.316 177.125 175.800 0.014 0.000 1.090 164 F CA 0.359 58.369 58.000 0.017 0.000 1.065 164 F CB 1.116 40.132 39.000 0.027 0.000 1.184 164 F HN 0.091 nan 8.300 nan 0.000 0.499 165 T N 3.887 117.612 114.554 -1.382 0.000 4.093 165 T HA -0.200 4.153 4.350 0.006 0.000 0.334 165 T C -0.488 173.982 174.700 -0.383 0.000 0.773 165 T CA 1.523 63.051 62.100 -0.954 0.000 1.900 165 T CB -1.509 66.802 68.868 -0.929 0.000 1.911 165 T HN 0.501 nan 8.240 nan 0.000 0.844 180 A N -0.040 122.852 122.820 0.119 0.000 1.338 180 A HA 0.369 4.693 4.320 0.006 0.000 0.355 180 A C -1.535 176.123 177.584 0.123 0.000 0.351 180 A CA -0.721 51.398 52.037 0.137 0.000 0.387 180 A CB -1.107 18.016 19.000 0.205 0.000 1.868 180 A HN 0.260 nan 8.150 nan 0.000 0.382 181 F N 3.326 123.161 119.950 -0.192 0.000 2.396 181 F HA 0.719 5.250 4.527 0.006 0.000 0.343 181 F C -0.296 175.339 175.800 -0.275 0.000 1.104 181 F CA -1.039 56.725 58.000 -0.394 0.000 1.161 181 F CB 1.118 39.487 39.000 -1.051 0.000 1.146 181 F HN 0.393 nan 8.300 nan 0.000 0.522 182 L N 8.626 129.371 121.223 -0.797 0.000 2.502 182 L HA 0.367 4.711 4.340 0.006 0.000 0.247 182 L C -2.149 174.211 176.870 -0.850 0.000 1.180 182 L CA -1.724 52.713 54.840 -0.670 0.000 0.956 182 L CB 0.463 42.326 42.059 -0.326 0.000 1.282 182 L HN 0.445 nan 8.230 nan 0.000 0.470 183 P HA 0.057 nan 4.420 nan 0.000 0.266 183 P C -0.105 177.019 177.300 -0.293 0.000 1.195 183 P CA 0.062 62.734 63.100 -0.713 0.000 0.768 183 P CB 1.374 32.737 31.700 -0.561 0.000 0.838 184 E N 0.380 120.488 120.200 -0.153 0.000 2.431 184 E HA 0.057 4.411 4.350 0.006 0.000 0.200 184 E C 0.640 177.222 176.600 -0.030 0.000 0.995 184 E CA 0.672 57.028 56.400 -0.074 0.000 0.915 184 E CB 0.519 30.186 29.700 -0.055 0.000 0.930 184 E HN 0.622 nan 8.360 nan 0.000 0.496 185 T N -2.859 111.689 114.554 -0.010 0.000 2.883 185 T HA 0.341 4.695 4.350 0.006 0.000 0.296 185 T C 0.915 175.644 174.700 0.049 0.000 1.117 185 T CA -0.650 61.466 62.100 0.026 0.000 1.006 185 T CB 1.865 70.760 68.868 0.045 0.000 1.191 185 T HN -0.293 nan 8.240 nan 0.000 0.508 186 S N 0.600 116.347 115.700 0.078 0.000 2.399 186 S HA -0.094 4.380 4.470 0.006 0.000 0.231 186 S C 1.399 176.112 174.600 0.188 0.000 1.022 186 S CA 1.366 59.651 58.200 0.142 0.000 0.983 186 S CB -0.518 62.787 63.200 0.175 0.000 0.803 186 S HN 0.793 nan 8.310 nan 0.000 0.480 187 D N 2.073 122.563 120.400 0.150 0.000 2.084 187 D HA -0.013 4.631 4.640 0.006 0.000 0.194 187 D C 2.202 178.614 176.300 0.187 0.000 0.990 187 D CA 1.355 55.450 54.000 0.159 0.000 0.826 187 D CB -0.620 40.249 40.800 0.115 0.000 0.971 187 D HN 0.368 nan 8.370 nan 0.000 0.453 188 A N 0.568 123.493 122.820 0.176 0.000 1.940 188 A HA -0.158 4.166 4.320 0.006 0.000 0.219 188 A C 2.140 179.931 177.584 0.345 0.000 1.176 188 A CA 1.352 53.536 52.037 0.245 0.000 0.631 188 A CB -0.779 18.364 19.000 0.237 0.000 0.814 188 A HN 0.273 nan 8.150 nan 0.000 0.446 189 L N -0.221 121.157 121.223 0.258 0.000 1.976 189 L HA -0.034 4.310 4.340 0.006 0.000 0.209 189 L C 2.665 179.737 176.870 0.338 0.000 1.071 189 L CA 2.477 57.469 54.840 0.253 0.000 0.746 189 L CB -1.031 40.987 42.059 -0.069 0.000 0.890 189 L HN 0.328 nan 8.230 nan 0.000 0.432 190 A N -0.404 122.619 122.820 0.339 0.000 1.903 190 A HA -0.310 4.014 4.320 0.006 0.000 0.219 190 A C 1.976 179.783 177.584 0.371 0.000 1.191 190 A CA 2.267 54.601 52.037 0.494 0.000 0.638 190 A CB -1.195 18.074 19.000 0.448 0.000 0.823 190 A HN 0.636 nan 8.150 nan 0.000 0.451 191 D N -1.559 119.020 120.400 0.298 0.000 2.095 191 D HA -0.207 4.437 4.640 0.006 0.000 0.192 191 D C 1.578 178.030 176.300 0.252 0.000 0.990 191 D CA 1.576 55.713 54.000 0.228 0.000 0.836 191 D CB -0.750 40.166 40.800 0.194 0.000 0.979 191 D HN 0.741 nan 8.370 nan 0.000 0.447 192 W N 0.366 121.733 121.300 0.110 0.000 2.321 192 W HA -0.320 4.344 4.660 0.006 0.000 0.306 192 W C 2.289 178.976 176.519 0.281 0.000 1.217 192 W CA 1.457 58.853 57.345 0.085 0.000 1.257 192 W CB -0.440 28.879 29.460 -0.234 0.000 1.145 192 W HN 0.033 nan 8.180 nan 0.000 0.509 193 Y N 0.264 120.774 120.300 0.349 0.000 2.242 193 Y HA -0.171 4.383 4.550 0.006 0.000 0.291 193 Y C 2.209 178.111 175.900 0.004 0.000 1.137 193 Y CA 1.630 59.831 58.100 0.168 0.000 1.181 193 Y CB -1.205 37.432 38.460 0.295 0.000 0.989 193 Y HN 0.008 nan 8.280 nan 0.000 0.527 194 L N 0.509 121.756 121.223 0.040 0.000 2.127 194 L HA -0.135 4.209 4.340 0.006 0.000 0.211 194 L C 2.256 178.995 176.870 -0.220 0.000 1.089 194 L CA 2.188 56.962 54.840 -0.109 0.000 0.757 194 L CB -1.320 40.732 42.059 -0.011 0.000 0.899 194 L HN 0.255 nan 8.230 nan 0.000 0.434 195 A N -2.250 120.394 122.820 -0.294 0.000 2.021 195 A HA -0.018 4.305 4.320 0.006 0.000 0.216 195 A C 0.806 177.919 177.584 -0.785 0.000 1.163 195 A CA 0.521 52.235 52.037 -0.538 0.000 0.676 195 A CB -0.403 18.200 19.000 -0.662 0.000 0.818 195 A HN 0.632 nan 8.150 nan 0.000 0.453 196 H N -0.343 118.419 119.070 -0.514 0.000 2.340 196 H HA 0.183 4.743 4.556 0.007 0.000 0.233 196 H C -2.052 173.106 175.328 -0.283 0.000 1.435 196 H CA -1.561 54.202 56.048 -0.475 0.000 1.389 196 H CB 0.491 29.766 29.762 -0.813 0.000 1.491 196 H HN 0.364 nan 8.280 nan 0.000 0.518 197 P HA -0.179 nan 4.420 nan 0.000 0.219 197 P C 1.163 178.454 177.300 -0.014 0.000 1.146 197 P CA 1.154 64.082 63.100 -0.286 0.000 0.808 197 P CB 0.629 32.196 31.700 -0.222 0.000 0.779 198 E N -0.333 119.887 120.200 0.034 0.000 2.489 198 E HA 0.238 4.592 4.350 0.006 0.000 0.193 198 E C 0.693 177.388 176.600 0.158 0.000 1.057 198 E CA -0.273 56.180 56.400 0.088 0.000 0.866 198 E CB -0.562 29.161 29.700 0.038 0.000 0.916 198 E HN 0.168 nan 8.360 nan 0.000 0.500 199 A N -0.194 122.760 122.820 0.224 0.000 2.448 199 A HA 0.201 4.524 4.320 0.006 0.000 0.239 199 A C 0.254 177.980 177.584 0.236 0.000 1.080 199 A CA 0.148 52.331 52.037 0.243 0.000 0.779 199 A CB 0.297 19.482 19.000 0.308 0.000 1.026 199 A HN 0.141 nan 8.150 nan 0.000 0.499 200 T N 2.751 117.411 114.554 0.177 0.000 2.738 200 T HA 0.443 4.797 4.350 0.006 0.000 0.298 200 T C -0.048 174.655 174.700 0.004 0.000 0.962 200 T CA -0.053 62.120 62.100 0.122 0.000 0.972 200 T CB -0.026 68.925 68.868 0.138 0.000 0.928 200 T HN 0.402 nan 8.240 nan 0.000 0.474 201 L N 4.822 126.021 121.223 -0.040 0.000 2.331 201 L HA 0.508 4.852 4.340 0.006 0.000 0.278 201 L C -0.064 176.695 176.870 -0.185 0.000 1.106 201 L CA -0.463 54.278 54.840 -0.164 0.000 0.824 201 L CB 0.643 42.572 42.059 -0.217 0.000 1.142 201 L HN 0.517 nan 8.230 nan 0.000 0.443 202 I N 2.532 122.929 120.570 -0.290 0.000 2.410 202 I HA 0.361 4.535 4.170 0.006 0.000 0.286 202 I C 0.515 176.551 176.117 -0.135 0.000 1.009 202 I CA -0.140 61.007 61.300 -0.255 0.000 1.111 202 I CB 1.886 39.633 38.000 -0.423 0.000 1.262 202 I HN 0.772 nan 8.210 nan 0.000 0.443 203 A N 4.960 127.729 122.820 -0.085 0.000 2.984 203 A HA 0.431 4.755 4.320 0.006 0.000 0.212 203 A C 1.874 179.441 177.584 -0.027 0.000 2.164 203 A CA 0.893 52.900 52.037 -0.051 0.000 0.982 203 A CB -1.199 17.771 19.000 -0.050 0.000 1.352 203 A HN 0.709 nan 8.150 nan 0.000 0.491 204 G N -1.920 106.857 108.800 -0.038 0.000 2.403 204 G HA2 0.318 4.282 3.960 0.006 0.000 0.216 204 G HA3 0.318 4.282 3.960 0.006 0.000 0.216 204 G C 1.298 176.177 174.900 -0.035 0.000 1.154 204 G CA 1.201 46.280 45.100 -0.036 0.000 0.784 204 G HN 2.016 nan 8.290 nan 0.000 0.538 205 G N -0.772 107.992 108.800 -0.060 0.000 2.175 205 G HA2 -0.320 3.643 3.960 0.006 0.000 0.244 205 G HA3 -0.320 3.643 3.960 0.006 0.000 0.244 205 G C 1.413 176.242 174.900 -0.118 0.000 0.982 205 G CA 1.403 46.447 45.100 -0.093 0.000 0.641 205 G HN 1.290 nan 8.290 nan 0.000 0.527 206 T N -2.775 111.732 114.554 -0.078 0.000 3.007 206 T HA 0.062 4.416 4.350 0.006 0.000 0.270 206 T C 1.506 176.148 174.700 -0.097 0.000 1.107 206 T CA 1.880 63.944 62.100 -0.061 0.000 1.118 206 T CB 0.037 68.903 68.868 -0.003 0.000 0.889 206 T HN 0.267 nan 8.240 nan 0.000 0.506 207 D N 0.457 120.763 120.400 -0.158 0.000 2.323 207 D HA 0.135 4.778 4.640 0.006 0.000 0.218 207 D C 2.225 178.200 176.300 -0.543 0.000 0.973 207 D CA 0.475 54.352 54.000 -0.205 0.000 0.890 207 D CB 0.395 41.135 40.800 -0.100 0.000 1.011 207 D HN 0.305 nan 8.370 nan 0.000 0.499 208 V N 1.801 121.295 119.914 -0.701 0.000 2.453 208 V HA -0.181 3.943 4.120 0.006 0.000 0.247 208 V C 2.487 178.201 176.094 -0.633 0.000 1.048 208 V CA 1.728 63.334 62.300 -1.157 0.000 1.049 208 V CB -0.534 30.815 31.823 -0.790 0.000 0.672 208 V HN 0.167 nan 8.190 nan 0.000 0.457 209 S N 0.895 116.408 115.700 -0.312 0.000 2.419 209 S HA -0.097 4.377 4.470 0.006 0.000 0.233 209 S C 1.849 176.412 174.600 -0.061 0.000 1.016 209 S CA 1.223 59.344 58.200 -0.131 0.000 0.974 209 S CB -0.579 62.580 63.200 -0.068 0.000 0.786 209 S HN 0.543 nan 8.310 nan 0.000 0.492 210 L N -0.722 120.453 121.223 -0.080 0.000 2.362 210 L HA -0.023 4.320 4.340 0.006 0.000 0.219 210 L C 2.226 179.224 176.870 0.213 0.000 1.134 210 L CA 0.788 55.658 54.840 0.050 0.000 0.807 210 L CB -0.792 41.308 42.059 0.068 0.000 0.927 210 L HN 0.415 nan 8.230 nan 0.000 0.447 211 W N -0.134 121.183 121.300 0.028 0.000 2.436 211 W HA -0.046 4.617 4.660 0.006 0.000 0.284 211 W C 2.510 179.045 176.519 0.026 0.000 1.225 211 W CA 0.870 58.231 57.345 0.026 0.000 1.271 211 W CB -1.138 28.337 29.460 0.025 0.000 1.114 211 W HN 0.079 nan 8.180 nan 0.000 0.559 212 V N 0.505 120.561 119.914 0.237 0.000 2.446 212 V HA -0.143 3.981 4.120 0.006 0.000 0.244 212 V C 2.224 178.380 176.094 0.104 0.000 1.039 212 V CA 2.837 65.226 62.300 0.149 0.000 1.045 212 V CB -0.744 31.145 31.823 0.110 0.000 0.681 212 V HN 0.160 nan 8.190 nan 0.000 0.459 213 T N -2.121 112.484 114.554 0.085 0.000 2.857 213 T HA -0.044 4.309 4.350 0.006 0.000 0.266 213 T C 1.937 176.680 174.700 0.071 0.000 1.048 213 T CA 1.347 63.486 62.100 0.066 0.000 1.139 213 T CB -0.237 68.660 68.868 0.049 0.000 0.874 213 T HN 0.487 nan 8.240 nan 0.000 0.455 214 K N 1.044 121.497 120.400 0.088 0.000 2.240 214 K HA 0.448 4.771 4.320 0.006 0.000 0.202 214 K C 2.635 179.285 176.600 0.084 0.000 1.053 214 K CA 0.899 57.234 56.287 0.081 0.000 0.973 214 K CB -0.484 32.064 32.500 0.081 0.000 0.924 214 K HN 0.385 nan 8.250 nan 0.000 0.477 215 A N 1.497 124.384 122.820 0.112 0.000 2.168 215 A HA 0.068 4.392 4.320 0.006 0.000 0.215 215 A C 0.997 178.624 177.584 0.073 0.000 1.152 215 A CA 0.348 52.436 52.037 0.086 0.000 0.716 215 A CB -0.569 18.483 19.000 0.087 0.000 0.794 215 A HN 0.402 nan 8.150 nan 0.000 0.465 216 L N -1.671 119.603 121.223 0.086 0.000 3.717 216 L HA -0.237 4.107 4.340 0.006 0.000 0.414 216 L C 0.770 177.683 176.870 0.073 0.000 1.228 216 L CA 0.147 55.030 54.840 0.072 0.000 0.918 216 L CB -1.584 40.506 42.059 0.052 0.000 1.865 216 L HN 0.535 nan 8.230 nan 0.000 0.922 217 R N 0.358 120.918 120.500 0.100 0.000 2.531 217 R HA 0.417 4.760 4.340 0.006 0.000 0.260 217 R C 0.023 176.384 176.300 0.102 0.000 1.144 217 R CA -0.482 55.673 56.100 0.092 0.000 1.171 217 R CB 0.826 31.190 30.300 0.107 0.000 1.199 217 R HN 0.110 nan 8.270 nan 0.000 0.594 218 D N 1.244 121.698 120.400 0.090 0.000 2.788 218 D HA 0.225 4.869 4.640 0.006 0.000 0.247 218 D C -1.467 174.890 176.300 0.095 0.000 1.236 218 D CA -0.438 53.615 54.000 0.088 0.000 0.898 218 D CB 1.103 41.942 40.800 0.064 0.000 1.401 218 D HN 0.300 nan 8.370 nan 0.000 0.549 219 L N 4.800 126.089 121.223 0.111 0.000 2.295 219 L HA 0.505 4.849 4.340 0.006 0.000 0.281 219 L C -2.152 174.774 176.870 0.092 0.000 1.018 219 L CA -1.576 53.334 54.840 0.117 0.000 0.841 219 L CB 1.382 43.530 42.059 0.149 0.000 1.218 219 L HN 0.165 nan 8.230 nan 0.000 0.424 220 P HA 0.355 nan 4.420 nan 0.000 0.283 220 P C -0.888 176.467 177.300 0.093 0.000 1.271 220 P CA -0.737 62.411 63.100 0.081 0.000 0.841 220 P CB 1.008 32.750 31.700 0.069 0.000 1.122 221 E N -0.832 119.430 120.200 0.103 0.000 4.220 221 E HA -0.052 4.302 4.350 0.006 0.000 0.160 221 E C -1.775 174.926 176.600 0.167 0.000 1.630 221 E CA 0.205 56.690 56.400 0.141 0.000 0.960 221 E CB -1.172 28.598 29.700 0.117 0.000 1.061 221 E HN 0.145 nan 8.360 nan 0.000 0.360 222 V N 2.074 122.077 119.914 0.148 0.000 2.709 222 V HA 0.925 5.049 4.120 0.006 0.000 0.308 222 V C -0.122 175.897 176.094 -0.125 0.000 1.062 222 V CA -0.041 62.253 62.300 -0.011 0.000 0.901 222 V CB 1.987 33.732 31.823 -0.131 0.000 1.003 222 V HN 0.703 nan 8.190 nan 0.000 0.425 223 A N 4.160 126.808 122.820 -0.287 0.000 2.393 223 A HA 0.908 5.231 4.320 0.006 0.000 0.306 223 A C -1.374 175.880 177.584 -0.551 0.000 1.050 223 A CA -0.392 51.390 52.037 -0.426 0.000 0.724 223 A CB 1.098 19.831 19.000 -0.445 0.000 1.248 223 A HN 0.615 nan 8.150 nan 0.000 0.424 224 F N 2.228 122.020 119.950 -0.264 0.000 2.404 224 F HA 0.354 4.885 4.527 0.006 0.000 0.354 224 F C 1.077 176.736 175.800 -0.234 0.000 1.122 224 F CA -0.355 57.526 58.000 -0.199 0.000 1.080 224 F CB 1.586 40.511 39.000 -0.124 0.000 1.131 224 F HN 0.497 nan 8.300 nan 0.000 0.471 225 L N 1.486 122.664 121.223 -0.075 0.000 2.492 225 L HA -0.039 4.305 4.340 0.006 0.000 0.223 225 L C 1.954 178.764 176.870 -0.100 0.000 1.132 225 L CA 0.370 55.135 54.840 -0.124 0.000 0.850 225 L CB -0.530 41.443 42.059 -0.143 0.000 0.966 225 L HN 0.646 nan 8.230 nan 0.000 0.454 226 S N -1.591 114.044 115.700 -0.109 0.000 2.500 226 S HA -0.136 4.338 4.470 0.006 0.000 0.239 226 S C 1.394 175.787 174.600 -0.344 0.000 0.989 226 S CA 0.719 58.776 58.200 -0.239 0.000 0.951 226 S CB -0.495 62.515 63.200 -0.317 0.000 0.759 226 S HN 0.501 nan 8.310 nan 0.000 0.523 227 H N -0.262 118.747 119.070 -0.100 0.000 2.520 227 H HA 0.305 4.864 4.556 0.006 0.000 0.284 227 H C -0.370 174.897 175.328 -0.102 0.000 1.037 227 H CA -0.473 55.512 56.048 -0.105 0.000 1.168 227 H CB -0.130 29.555 29.762 -0.129 0.000 1.497 227 H HN 0.386 nan 8.280 nan 0.000 0.547 228 C N 2.790 122.077 119.300 -0.023 0.000 2.158 228 C HA 0.147 4.611 4.460 0.006 0.000 0.350 228 C C 1.822 176.799 174.990 -0.023 0.000 1.064 228 C CA -0.831 58.171 59.018 -0.028 0.000 1.507 228 C CB -0.211 27.504 27.740 -0.042 0.000 1.934 228 C HN 0.442 nan 8.230 nan 0.000 0.479 229 K N 1.824 122.216 120.400 -0.013 0.000 2.160 229 K HA -0.193 4.131 4.320 0.006 0.000 0.206 229 K C 1.529 178.120 176.600 -0.014 0.000 1.047 229 K CA 1.833 58.110 56.287 -0.017 0.000 0.930 229 K CB -0.004 32.489 32.500 -0.010 0.000 0.720 229 K HN 0.791 nan 8.250 nan 0.000 0.450 230 D N 0.727 121.126 120.400 -0.003 0.000 2.347 230 D HA -0.136 4.508 4.640 0.006 0.000 0.215 230 D C 1.616 177.923 176.300 0.012 0.000 0.976 230 D CA 0.526 54.529 54.000 0.006 0.000 0.884 230 D CB -0.238 40.573 40.800 0.018 0.000 0.915 230 D HN 0.157 nan 8.370 nan 0.000 0.526 231 L N -0.322 120.906 121.223 0.008 0.000 2.558 231 L HA 0.255 4.598 4.340 0.006 0.000 0.225 231 L C 1.290 178.155 176.870 -0.008 0.000 1.128 231 L CA 0.488 55.339 54.840 0.019 0.000 0.868 231 L CB 0.053 42.123 42.059 0.019 0.000 1.006 231 L HN 0.088 nan 8.230 nan 0.000 0.454 232 A N -0.966 121.838 122.820 -0.027 0.000 2.701 232 A HA 0.266 4.590 4.320 0.006 0.000 0.297 232 A C 0.006 177.557 177.584 -0.055 0.000 1.197 232 A CA -0.366 51.644 52.037 -0.046 0.000 0.963 232 A CB 0.037 19.004 19.000 -0.054 0.000 1.175 232 A HN 0.150 nan 8.150 nan 0.000 0.531 233 Q N 0.009 119.779 119.800 -0.051 0.000 2.235 233 Q HA 0.523 4.867 4.340 0.006 0.000 0.256 233 Q C -0.739 175.203 176.000 -0.097 0.000 0.951 233 Q CA -0.155 55.612 55.803 -0.061 0.000 0.890 233 Q CB 1.887 30.602 28.738 -0.038 0.000 1.279 233 Q HN 0.505 nan 8.270 nan 0.000 0.444 234 I N 2.523 123.016 120.570 -0.129 0.000 2.312 234 I HA 0.354 4.528 4.170 0.006 0.000 0.290 234 I C 0.135 176.190 176.117 -0.103 0.000 1.008 234 I CA -0.391 60.785 61.300 -0.206 0.000 1.226 234 I CB 0.865 38.628 38.000 -0.394 0.000 1.371 234 I HN 0.196 nan 8.210 nan 0.000 0.468 235 R N 4.583 125.051 120.500 -0.052 0.000 2.445 235 R HA 0.338 4.681 4.340 0.006 0.000 0.308 235 R C -0.530 175.823 176.300 0.088 0.000 0.961 235 R CA -0.787 55.322 56.100 0.015 0.000 0.862 235 R CB 2.092 32.393 30.300 0.001 0.000 1.144 235 R HN 0.515 nan 8.270 nan 0.000 0.447 236 E N 1.500 121.769 120.200 0.115 0.000 2.316 236 E HA 0.071 4.424 4.350 0.006 0.000 0.275 236 E C -0.721 175.873 176.600 -0.011 0.000 1.029 236 E CA 0.255 56.713 56.400 0.097 0.000 0.871 236 E CB 1.034 30.803 29.700 0.116 0.000 1.022 236 E HN 0.328 nan 8.360 nan 0.000 0.418 237 T N 3.891 118.392 114.554 -0.088 0.000 2.940 237 T HA 0.352 4.705 4.350 0.006 0.000 0.288 237 T C -1.866 172.770 174.700 -0.106 0.000 1.045 237 T CA -1.966 60.089 62.100 -0.076 0.000 1.018 237 T CB 1.235 70.069 68.868 -0.056 0.000 1.151 237 T HN 0.425 nan 8.240 nan 0.000 0.529 238 P HA -0.005 nan 4.420 nan 0.000 0.217 238 P C -0.279 176.975 177.300 -0.077 0.000 1.150 238 P CA 1.198 64.259 63.100 -0.064 0.000 0.832 238 P CB -0.027 31.649 31.700 -0.041 0.000 0.787 239 D N -1.089 119.265 120.400 -0.075 0.000 2.607 239 D HA 0.519 5.163 4.640 0.006 0.000 0.318 239 D C 0.645 176.898 176.300 -0.079 0.000 1.212 239 D CA -0.625 53.334 54.000 -0.067 0.000 0.861 239 D CB 0.529 41.306 40.800 -0.038 0.000 1.064 239 D HN 0.270 nan 8.370 nan 0.000 0.500 240 G N -0.181 108.524 108.800 -0.158 0.000 2.396 240 G HA2 0.020 3.983 3.960 0.006 0.000 0.254 240 G HA3 0.020 3.983 3.960 0.006 0.000 0.254 240 G C -1.635 173.080 174.900 -0.308 0.000 1.248 240 G CA -1.224 43.767 45.100 -0.182 0.000 1.033 240 G HN 0.197 nan 8.290 nan 0.000 0.502 241 Y N 0.108 120.453 120.300 0.076 0.000 2.425 241 Y HA 0.589 5.143 4.550 0.006 0.000 0.344 241 Y C 0.870 176.753 175.900 -0.028 0.000 0.969 241 Y CA -0.017 58.105 58.100 0.037 0.000 1.052 241 Y CB 2.556 41.078 38.460 0.103 0.000 1.215 241 Y HN 0.947 nan 8.280 nan 0.000 0.451 242 G N 3.843 112.695 108.800 0.087 0.000 2.335 242 G HA2 0.621 4.585 3.960 0.006 0.000 0.314 242 G HA3 0.621 4.585 3.960 0.006 0.000 0.314 242 G C -0.990 173.879 174.900 -0.051 0.000 1.129 242 G CA -0.513 44.593 45.100 0.009 0.000 0.912 242 G HN 0.589 nan 8.290 nan 0.000 0.443 243 I N 2.769 123.298 120.570 -0.069 0.000 2.354 243 I HA 0.300 4.474 4.170 0.006 0.000 0.286 243 I C 1.125 177.196 176.117 -0.077 0.000 1.007 243 I CA -0.783 60.447 61.300 -0.116 0.000 1.167 243 I CB 1.705 39.626 38.000 -0.132 0.000 1.320 243 I HN 0.543 nan 8.210 nan 0.000 0.458 244 G N 3.640 112.397 108.800 -0.072 0.000 2.559 244 G HA2 0.241 4.205 3.960 0.006 0.000 0.235 244 G HA3 0.241 4.205 3.960 0.006 0.000 0.235 244 G C 1.028 175.909 174.900 -0.031 0.000 1.266 244 G CA 0.187 45.264 45.100 -0.039 0.000 0.847 244 G HN 0.842 nan 8.290 nan 0.000 0.583 245 A N 1.507 124.327 122.820 0.001 0.000 1.940 245 A HA 0.050 4.373 4.320 0.006 0.000 0.219 245 A C 2.426 180.004 177.584 -0.009 0.000 1.176 245 A CA 2.062 54.105 52.037 0.009 0.000 0.631 245 A CB -0.492 18.546 19.000 0.063 0.000 0.814 245 A HN 1.148 nan 8.150 nan 0.000 0.446 246 G N -0.931 107.858 108.800 -0.018 0.000 3.026 246 G HA2 0.340 4.304 3.960 0.006 0.000 0.208 246 G HA3 0.340 4.304 3.960 0.006 0.000 0.208 246 G C 0.292 175.158 174.900 -0.057 0.000 1.169 246 G CA 0.135 45.211 45.100 -0.040 0.000 0.788 246 G HN 0.232 nan 8.290 nan 0.000 0.533 247 V N 2.395 122.272 119.914 -0.062 0.000 2.521 247 V HA 0.208 4.332 4.120 0.006 0.000 0.286 247 V C 1.206 177.249 176.094 -0.084 0.000 1.034 247 V CA -0.107 62.145 62.300 -0.080 0.000 1.045 247 V CB 0.535 32.299 31.823 -0.099 0.000 0.974 247 V HN 0.426 nan 8.190 nan 0.000 0.480 248 T N 3.617 118.120 114.554 -0.086 0.000 2.898 248 T HA 0.254 4.607 4.350 0.006 0.000 0.301 248 T C 1.321 175.944 174.700 -0.129 0.000 1.049 248 T CA -0.705 61.337 62.100 -0.096 0.000 1.095 248 T CB 0.709 69.527 68.868 -0.083 0.000 0.976 248 T HN 0.308 nan 8.240 nan 0.000 0.539 249 I N 1.382 121.839 120.570 -0.189 0.000 2.335 249 I HA -0.159 4.014 4.170 0.006 0.000 0.251 249 I C 2.841 178.841 176.117 -0.195 0.000 1.129 249 I CA 1.703 62.825 61.300 -0.297 0.000 1.402 249 I CB -2.135 35.501 38.000 -0.607 0.000 1.069 249 I HN 0.896 nan 8.210 nan 0.000 0.424 250 A N 0.856 123.599 122.820 -0.128 0.000 1.930 250 A HA -0.005 4.318 4.320 0.006 0.000 0.217 250 A C 2.563 180.110 177.584 -0.061 0.000 1.175 250 A CA 1.639 53.627 52.037 -0.081 0.000 0.627 250 A CB -0.576 18.390 19.000 -0.058 0.000 0.815 250 A HN 0.405 nan 8.150 nan 0.000 0.443 251 A N -0.644 122.138 122.820 -0.063 0.000 1.968 251 A HA 0.085 4.409 4.320 0.006 0.000 0.217 251 A C 2.044 179.619 177.584 -0.015 0.000 1.169 251 A CA 1.516 53.529 52.037 -0.040 0.000 0.638 251 A CB -0.457 18.511 19.000 -0.053 0.000 0.812 251 A HN 0.660 nan 8.150 nan 0.000 0.446 252 L N -0.007 121.190 121.223 -0.044 0.000 2.109 252 L HA -0.015 4.329 4.340 0.006 0.000 0.207 252 L C 2.283 179.183 176.870 0.050 0.000 1.086 252 L CA 2.171 57.010 54.840 -0.002 0.000 0.760 252 L CB -0.701 41.319 42.059 -0.065 0.000 0.910 252 L HN 0.466 nan 8.230 nan 0.000 0.437 253 R N -0.451 120.038 120.500 -0.018 0.000 2.075 253 R HA -0.102 4.241 4.340 0.006 0.000 0.232 253 R C 2.165 178.463 176.300 -0.004 0.000 1.126 253 R CA 1.321 57.409 56.100 -0.019 0.000 0.963 253 R CB -0.360 29.912 30.300 -0.047 0.000 0.858 253 R HN 0.464 nan 8.270 nan 0.000 0.435 254 A N 0.771 123.593 122.820 0.003 0.000 1.883 254 A HA -0.217 4.107 4.320 0.006 0.000 0.217 254 A C 2.012 179.601 177.584 0.009 0.000 1.186 254 A CA 1.482 53.518 52.037 -0.001 0.000 0.624 254 A CB -0.905 18.096 19.000 0.001 0.000 0.822 254 A HN 0.573 nan 8.150 nan 0.000 0.444 255 F N 1.159 121.055 119.950 -0.091 0.000 2.126 255 F HA -0.092 4.438 4.527 0.006 0.000 0.299 255 F C 2.345 178.073 175.800 -0.120 0.000 1.096 255 F CA 1.476 59.405 58.000 -0.119 0.000 1.255 255 F CB -0.403 38.512 39.000 -0.141 0.000 0.997 255 F HN 0.217 nan 8.300 nan 0.000 0.479 256 A N -0.396 122.321 122.820 -0.171 0.000 2.119 256 A HA -0.123 4.201 4.320 0.006 0.000 0.217 256 A C 1.997 179.443 177.584 -0.229 0.000 1.153 256 A CA 1.281 53.174 52.037 -0.241 0.000 0.692 256 A CB -0.902 18.108 19.000 0.017 0.000 0.799 256 A HN 0.547 nan 8.150 nan 0.000 0.458 257 E N -0.073 120.015 120.200 -0.186 0.000 2.130 257 E HA -0.136 4.218 4.350 0.006 0.000 0.196 257 E C 1.943 178.438 176.600 -0.175 0.000 0.998 257 E CA 1.482 57.797 56.400 -0.141 0.000 0.806 257 E CB -0.361 29.275 29.700 -0.107 0.000 0.738 257 E HN 0.555 nan 8.360 nan 0.000 0.459 258 G N 0.544 109.189 108.800 -0.259 0.000 2.547 258 G HA2 -0.137 3.826 3.960 0.006 0.000 0.214 258 G HA3 -0.137 3.826 3.960 0.006 0.000 0.214 258 G C -0.783 173.946 174.900 -0.285 0.000 1.254 258 G CA 0.682 45.629 45.100 -0.255 0.000 0.817 258 G HN 0.305 nan 8.290 nan 0.000 0.551 259 P HA 0.091 nan 4.420 nan 0.000 0.236 259 P C -0.100 176.774 177.300 -0.710 0.000 1.177 259 P CA 0.890 63.673 63.100 -0.528 0.000 0.773 259 P CB 0.298 31.613 31.700 -0.641 0.000 0.878 260 H N -2.010 116.958 119.070 -0.171 0.000 2.695 260 H HA 0.201 4.761 4.556 0.006 0.000 0.222 260 H C -2.005 173.268 175.328 -0.091 0.000 1.412 260 H CA -1.406 54.584 56.048 -0.096 0.000 1.347 260 H CB 0.904 30.627 29.762 -0.066 0.000 1.858 260 H HN 0.043 nan 8.280 nan 0.000 0.519 261 P HA -0.128 nan 4.420 nan 0.000 0.216 261 P C 1.627 178.927 177.300 0.000 0.000 1.150 261 P CA 1.507 64.593 63.100 -0.024 0.000 0.837 261 P CB 0.356 32.032 31.700 -0.040 0.000 0.786 262 A N -0.188 122.642 122.820 0.016 0.000 1.902 262 A HA -0.174 4.150 4.320 0.006 0.000 0.217 262 A C 2.168 179.752 177.584 -0.001 0.000 1.181 262 A CA 1.667 53.705 52.037 0.000 0.000 0.623 262 A CB -1.698 17.299 19.000 -0.006 0.000 0.818 262 A HN 0.217 nan 8.150 nan 0.000 0.443 263 L N -0.535 120.698 121.223 0.016 0.000 2.201 263 L HA 0.013 4.357 4.340 0.006 0.000 0.212 263 L C 2.493 179.368 176.870 0.007 0.000 1.105 263 L CA 1.906 56.747 54.840 0.001 0.000 0.775 263 L CB -0.504 41.547 42.059 -0.013 0.000 0.913 263 L HN 0.319 nan 8.230 nan 0.000 0.440 264 A N -0.489 122.335 122.820 0.007 0.000 1.897 264 A HA 0.032 4.356 4.320 0.006 0.000 0.215 264 A C 2.321 179.903 177.584 -0.002 0.000 1.181 264 A CA 1.200 53.233 52.037 -0.007 0.000 0.620 264 A CB -1.449 17.534 19.000 -0.029 0.000 0.821 264 A HN 0.487 nan 8.150 nan 0.000 0.443 265 G N -0.223 108.578 108.800 0.001 0.000 2.408 265 G HA2 -0.097 3.867 3.960 0.006 0.000 0.217 265 G HA3 -0.097 3.867 3.960 0.006 0.000 0.217 265 G C 1.476 176.393 174.900 0.028 0.000 1.150 265 G CA 1.173 46.278 45.100 0.008 0.000 0.776 265 G HN 0.443 nan 8.290 nan 0.000 0.542 266 L N 0.704 121.946 121.223 0.031 0.000 1.976 266 L HA 0.091 4.434 4.340 0.006 0.000 0.209 266 L C 2.653 179.579 176.870 0.093 0.000 1.071 266 L CA 1.462 56.337 54.840 0.059 0.000 0.746 266 L CB -0.618 41.466 42.059 0.043 0.000 0.890 266 L HN 0.188 nan 8.230 nan 0.000 0.432 267 L N -0.480 120.783 121.223 0.066 0.000 2.349 267 L HA -0.207 4.137 4.340 0.006 0.000 0.220 267 L C 2.690 179.611 176.870 0.084 0.000 1.130 267 L CA 0.815 55.694 54.840 0.066 0.000 0.791 267 L CB -0.708 41.322 42.059 -0.048 0.000 0.918 267 L HN 0.367 nan 8.230 nan 0.000 0.444 268 R N 0.897 121.434 120.500 0.060 0.000 2.127 268 R HA -0.129 4.215 4.340 0.006 0.000 0.238 268 R C 1.400 177.754 176.300 0.090 0.000 1.134 268 R CA 1.295 57.426 56.100 0.052 0.000 0.975 268 R CB 0.055 30.371 30.300 0.026 0.000 0.865 268 R HN 0.365 nan 8.270 nan 0.000 0.447 269 R N -0.844 119.730 120.500 0.122 0.000 2.609 269 R HA 0.096 4.440 4.340 0.006 0.000 0.326 269 R C -0.648 175.753 176.300 0.168 0.000 1.090 269 R CA -0.338 55.840 56.100 0.130 0.000 1.072 269 R CB 0.261 30.638 30.300 0.128 0.000 1.330 269 R HN 0.022 nan 8.270 nan 0.000 0.572 270 F N 1.642 121.608 119.950 0.027 0.000 2.390 270 F HA 0.393 4.923 4.527 0.006 0.000 0.361 270 F C 0.851 176.662 175.800 0.017 0.000 1.124 270 F CA -0.139 57.875 58.000 0.024 0.000 1.149 270 F CB 0.378 39.389 39.000 0.017 0.000 1.160 270 F HN 0.296 nan 8.300 nan 0.000 0.501 271 A N 3.262 126.074 122.820 -0.013 0.000 5.695 271 A HA -0.214 4.109 4.320 0.006 0.000 0.297 271 A C 0.266 177.903 177.584 0.089 0.000 1.947 271 A CA 1.045 53.101 52.037 0.032 0.000 0.717 271 A CB -2.084 16.985 19.000 0.115 0.000 1.252 271 A HN 1.594 nan 8.150 nan 0.000 0.378 272 S N -1.480 114.272 115.700 0.086 0.000 2.715 272 S HA 0.624 5.098 4.470 0.006 0.000 0.307 272 S C 0.525 175.158 174.600 0.054 0.000 1.119 272 S CA 0.701 58.934 58.200 0.055 0.000 0.937 272 S CB 1.814 65.022 63.200 0.014 0.000 1.150 272 S HN 1.427 nan 8.310 nan 0.000 0.521 273 E N 0.844 121.058 120.200 0.024 0.000 2.070 273 E HA -0.226 4.128 4.350 0.006 0.000 0.197 273 E C 1.859 178.460 176.600 0.002 0.000 1.004 273 E CA 2.139 58.544 56.400 0.009 0.000 0.805 273 E CB -0.621 29.076 29.700 -0.006 0.000 0.744 273 E HN 0.710 nan 8.360 nan 0.000 0.451 274 Q N -0.505 119.289 119.800 -0.009 0.000 2.077 274 Q HA -0.146 4.197 4.340 0.006 0.000 0.206 274 Q C 2.294 178.293 176.000 -0.002 0.000 0.989 274 Q CA 2.045 57.838 55.803 -0.017 0.000 0.853 274 Q CB -0.308 28.411 28.738 -0.032 0.000 0.907 274 Q HN 0.225 nan 8.270 nan 0.000 0.418 275 V N 0.207 120.135 119.914 0.024 0.000 2.323 275 V HA -0.210 3.914 4.120 0.006 0.000 0.244 275 V C 2.071 178.201 176.094 0.061 0.000 1.041 275 V CA 1.656 63.985 62.300 0.049 0.000 1.025 275 V CB -0.445 31.426 31.823 0.081 0.000 0.656 275 V HN 0.288 nan 8.190 nan 0.000 0.451 276 R N -0.063 120.483 120.500 0.076 0.000 2.185 276 R HA -0.211 4.133 4.340 0.006 0.000 0.247 276 R C 2.156 178.437 176.300 -0.032 0.000 1.159 276 R CA 1.303 57.411 56.100 0.013 0.000 0.988 276 R CB -0.236 30.063 30.300 -0.002 0.000 0.871 276 R HN 0.528 nan 8.270 nan 0.000 0.458 277 Q N -0.228 119.559 119.800 -0.023 0.000 2.482 277 Q HA -0.037 4.307 4.340 0.006 0.000 0.209 277 Q C 1.686 177.658 176.000 -0.046 0.000 0.961 277 Q CA 1.049 56.829 55.803 -0.039 0.000 0.945 277 Q CB 0.860 29.577 28.738 -0.035 0.000 1.012 277 Q HN 0.418 nan 8.270 nan 0.000 0.515 278 V N -5.397 114.495 119.914 -0.037 0.000 3.332 278 V HA 0.454 4.578 4.120 0.006 0.000 0.263 278 V C 0.837 176.910 176.094 -0.036 0.000 1.562 278 V CA 0.113 62.385 62.300 -0.047 0.000 1.040 278 V CB -0.183 31.610 31.823 -0.050 0.000 0.857 278 V HN -0.005 nan 8.190 nan 0.000 0.428 279 A N 2.471 125.285 122.820 -0.010 0.000 2.498 279 A HA 0.573 4.897 4.320 0.006 0.000 0.239 279 A C 0.638 178.204 177.584 -0.031 0.000 1.068 279 A CA 0.927 52.972 52.037 0.012 0.000 0.766 279 A CB -0.193 18.874 19.000 0.111 0.000 1.003 279 A HN 1.013 nan 8.150 nan 0.000 0.497 280 T N 0.082 114.627 114.554 -0.016 0.000 2.912 280 T HA 0.501 4.855 4.350 0.006 0.000 0.288 280 T C 1.087 175.775 174.700 -0.021 0.000 1.030 280 T CA -0.429 61.649 62.100 -0.037 0.000 1.020 280 T CB 1.098 69.949 68.868 -0.028 0.000 1.056 280 T HN 0.533 nan 8.240 nan 0.000 0.480 281 I N 1.659 122.201 120.570 -0.046 0.000 2.179 281 I HA 0.023 4.197 4.170 0.006 0.000 0.242 281 I C 2.469 178.599 176.117 0.021 0.000 1.088 281 I CA 1.921 63.208 61.300 -0.023 0.000 1.357 281 I CB -0.775 37.195 38.000 -0.050 0.000 1.051 281 I HN 0.957 nan 8.210 nan 0.000 0.409 282 G N 0.188 108.993 108.800 0.009 0.000 2.529 282 G HA2 -0.316 3.648 3.960 0.006 0.000 0.219 282 G HA3 -0.316 3.648 3.960 0.006 0.000 0.219 282 G C 1.609 176.548 174.900 0.064 0.000 1.177 282 G CA 0.872 45.989 45.100 0.029 0.000 0.773 282 G HN 0.543 nan 8.290 nan 0.000 0.573 283 G N 0.348 109.182 108.800 0.056 0.000 2.442 283 G HA2 -0.306 3.657 3.960 0.006 0.000 0.219 283 G HA3 -0.306 3.657 3.960 0.006 0.000 0.219 283 G C 1.645 176.623 174.900 0.130 0.000 1.141 283 G CA 1.159 46.306 45.100 0.078 0.000 0.763 283 G HN 0.555 nan 8.290 nan 0.000 0.554 284 N N 0.082 118.869 118.700 0.146 0.000 2.188 284 N HA -0.032 4.711 4.740 0.006 0.000 0.184 284 N C 2.221 177.871 175.510 0.234 0.000 1.018 284 N CA 0.671 53.843 53.050 0.204 0.000 0.858 284 N CB -0.083 38.546 38.487 0.237 0.000 0.989 284 N HN 0.377 nan 8.380 nan 0.000 0.426 285 I N 0.989 121.696 120.570 0.227 0.000 2.193 285 I HA -0.147 4.026 4.170 0.006 0.000 0.240 285 I C 2.524 178.881 176.117 0.399 0.000 1.084 285 I CA 0.836 62.331 61.300 0.326 0.000 1.365 285 I CB -0.327 37.776 38.000 0.171 0.000 1.064 285 I HN 0.098 nan 8.210 nan 0.000 0.410 286 A N 0.739 123.728 122.820 0.282 0.000 1.978 286 A HA -0.277 4.047 4.320 0.006 0.000 0.220 286 A C 1.997 179.767 177.584 0.311 0.000 1.170 286 A CA 2.267 54.500 52.037 0.327 0.000 0.636 286 A CB -0.909 18.233 19.000 0.237 0.000 0.810 286 A HN 0.480 nan 8.150 nan 0.000 0.448 287 N N -0.408 118.451 118.700 0.265 0.000 2.205 287 N HA -0.022 4.721 4.740 0.006 0.000 0.186 287 N C 1.160 176.832 175.510 0.270 0.000 1.015 287 N CA 1.735 54.935 53.050 0.250 0.000 0.862 287 N CB -0.369 38.239 38.487 0.202 0.000 0.986 287 N HN 0.740 nan 8.380 nan 0.000 0.429 288 G N -0.634 108.373 108.800 0.346 0.000 2.198 288 G HA2 -0.275 3.689 3.960 0.006 0.000 0.260 288 G HA3 -0.275 3.689 3.960 0.006 0.000 0.260 288 G C -0.076 174.973 174.900 0.248 0.000 1.025 288 G CA 0.704 46.045 45.100 0.402 0.000 0.769 288 G HN 0.627 nan 8.290 nan 0.000 0.507 289 S N 0.506 116.316 115.700 0.183 0.000 2.545 289 S HA 0.597 5.070 4.470 0.006 0.000 0.275 289 S C -0.140 174.493 174.600 0.054 0.000 1.299 289 S CA -0.707 57.574 58.200 0.134 0.000 1.048 289 S CB 1.381 64.650 63.200 0.116 0.000 0.938 289 S HN 0.149 nan 8.310 nan 0.000 0.496 290 P HA 0.113 nan 4.420 nan 0.000 0.242 290 P C 0.485 177.771 177.300 -0.024 0.000 1.197 290 P CA 0.662 63.756 63.100 -0.010 0.000 0.765 290 P CB -0.095 31.614 31.700 0.015 0.000 0.936 291 I N -1.724 118.843 120.570 -0.004 0.000 4.081 291 I HA 0.205 4.379 4.170 0.006 0.000 0.333 291 I C 1.226 177.331 176.117 -0.020 0.000 1.413 291 I CA -0.445 60.846 61.300 -0.016 0.000 1.110 291 I CB 0.125 38.117 38.000 -0.014 0.000 1.082 291 I HN -0.153 nan 8.210 nan 0.000 0.402 292 G N 1.180 109.978 108.800 -0.003 0.000 2.464 292 G HA2 -0.063 3.900 3.960 0.006 0.000 0.231 292 G HA3 -0.063 3.900 3.960 0.006 0.000 0.231 292 G C 0.280 175.198 174.900 0.030 0.000 1.267 292 G CA 0.039 45.153 45.100 0.023 0.000 0.863 292 G HN 0.219 nan 8.290 nan 0.000 0.559 293 D N 1.396 121.845 120.400 0.083 0.000 2.355 293 D HA -0.001 4.642 4.640 0.006 0.000 0.206 293 D C 2.402 178.795 176.300 0.154 0.000 1.010 293 D CA 0.830 54.898 54.000 0.113 0.000 0.875 293 D CB 0.175 41.064 40.800 0.148 0.000 0.966 293 D HN 0.502 nan 8.370 nan 0.000 0.512 294 G N 2.570 111.501 108.800 0.220 0.000 2.511 294 G HA2 -0.209 3.755 3.960 0.006 0.000 0.216 294 G HA3 -0.209 3.755 3.960 0.006 0.000 0.216 294 G C -0.730 174.225 174.900 0.092 0.000 1.218 294 G CA 0.633 45.823 45.100 0.150 0.000 0.788 294 G HN 0.229 nan 8.290 nan 0.000 0.560 295 P HA -0.104 nan 4.420 nan 0.000 0.216 295 P C -1.272 176.050 177.300 0.037 0.000 1.157 295 P CA 2.299 65.448 63.100 0.083 0.000 0.880 295 P CB -0.771 30.915 31.700 -0.023 0.000 0.791 296 P HA -0.190 nan 4.420 nan 0.000 0.214 296 P C 1.498 178.781 177.300 -0.029 0.000 1.163 296 P CA 2.147 65.233 63.100 -0.023 0.000 0.883 296 P CB -0.729 30.945 31.700 -0.044 0.000 0.788 297 A N -0.233 122.574 122.820 -0.021 0.000 1.873 297 A HA -0.211 4.113 4.320 0.006 0.000 0.218 297 A C 2.316 179.880 177.584 -0.033 0.000 1.193 297 A CA 1.853 53.868 52.037 -0.036 0.000 0.629 297 A CB -1.786 17.201 19.000 -0.021 0.000 0.826 297 A HN 0.104 nan 8.150 nan 0.000 0.447 298 L N -0.774 120.445 121.223 -0.006 0.000 2.083 298 L HA -0.191 4.152 4.340 0.006 0.000 0.209 298 L C 2.541 179.418 176.870 0.010 0.000 1.083 298 L CA 1.283 56.120 54.840 -0.005 0.000 0.752 298 L CB -0.598 41.476 42.059 0.026 0.000 0.899 298 L HN 0.408 nan 8.230 nan 0.000 0.433 299 I N 0.100 120.692 120.570 0.035 0.000 2.179 299 I HA -0.272 3.902 4.170 0.006 0.000 0.242 299 I C 2.761 178.884 176.117 0.010 0.000 1.088 299 I CA 1.231 62.559 61.300 0.046 0.000 1.357 299 I CB -0.414 37.629 38.000 0.072 0.000 1.051 299 I HN 0.190 nan 8.210 nan 0.000 0.409 300 A N 0.966 123.772 122.820 -0.022 0.000 2.070 300 A HA -0.197 4.126 4.320 0.006 0.000 0.220 300 A C 2.300 179.865 177.584 -0.032 0.000 1.159 300 A CA 1.743 53.754 52.037 -0.044 0.000 0.656 300 A CB -0.620 18.327 19.000 -0.089 0.000 0.800 300 A HN 0.635 nan 8.150 nan 0.000 0.453 301 M N -2.775 116.805 119.600 -0.033 0.000 2.428 301 M HA 0.411 4.895 4.480 0.006 0.000 0.239 301 M C 0.948 177.241 176.300 -0.011 0.000 1.121 301 M CA 0.936 56.216 55.300 -0.033 0.000 1.019 301 M CB 0.310 32.859 32.600 -0.085 0.000 1.485 301 M HN 0.701 nan 8.290 nan 0.000 0.484 302 G N 1.758 110.558 108.800 -0.000 0.000 2.248 302 G HA2 -0.060 3.904 3.960 0.006 0.000 0.252 302 G HA3 -0.060 3.904 3.960 0.006 0.000 0.252 302 G C -0.047 174.862 174.900 0.015 0.000 1.085 302 G CA 0.063 45.172 45.100 0.014 0.000 0.845 302 G HN 0.956 nan 8.290 nan 0.000 0.494 303 A N -0.410 122.418 122.820 0.013 0.000 2.257 303 A HA 0.974 5.297 4.320 0.006 0.000 0.289 303 A C 0.817 178.410 177.584 0.015 0.000 1.095 303 A CA 0.610 52.654 52.037 0.012 0.000 0.836 303 A CB 1.056 20.059 19.000 0.004 0.000 1.111 303 A HN 2.090 nan 8.150 nan 0.000 0.497 304 S N -0.863 114.839 115.700 0.003 0.000 2.634 304 S HA 0.738 5.212 4.470 0.006 0.000 0.296 304 S C -1.000 173.577 174.600 -0.038 0.000 1.104 304 S CA -0.622 57.572 58.200 -0.011 0.000 0.920 304 S CB 1.298 64.491 63.200 -0.012 0.000 1.111 304 S HN 1.336 nan 8.310 nan 0.000 0.493 305 L N 1.030 122.211 121.223 -0.070 0.000 2.362 305 L HA 0.746 5.090 4.340 0.006 0.000 0.271 305 L C -0.852 175.936 176.870 -0.136 0.000 1.002 305 L CA 0.058 54.818 54.840 -0.133 0.000 0.818 305 L CB 2.227 44.150 42.059 -0.226 0.000 1.298 305 L HN 0.905 nan 8.230 nan 0.000 0.420 306 T N 5.719 120.185 114.554 -0.146 0.000 2.809 306 T HA 0.532 4.886 4.350 0.006 0.000 0.296 306 T C -0.027 174.562 174.700 -0.185 0.000 1.015 306 T CA -0.352 61.665 62.100 -0.137 0.000 0.954 306 T CB 0.469 69.274 68.868 -0.106 0.000 0.950 306 T HN 0.417 nan 8.240 nan 0.000 0.450 307 L N 2.847 123.961 121.223 -0.182 0.000 2.431 307 L HA 0.748 5.092 4.340 0.006 0.000 0.260 307 L C 0.448 177.161 176.870 -0.261 0.000 1.098 307 L CA -1.069 53.643 54.840 -0.213 0.000 0.800 307 L CB 0.948 42.934 42.059 -0.121 0.000 1.210 307 L HN 0.525 nan 8.230 nan 0.000 0.465 308 R N 1.020 121.289 120.500 -0.386 0.000 2.536 308 R HA 0.372 4.716 4.340 0.006 0.000 0.269 308 R C -1.444 174.668 176.300 -0.313 0.000 1.113 308 R CA -0.703 55.154 56.100 -0.404 0.000 0.948 308 R CB 1.412 31.368 30.300 -0.574 0.000 1.237 308 R HN 0.613 nan 8.270 nan 0.000 0.441 309 R N 3.568 124.007 120.500 -0.102 0.000 2.521 309 R HA 0.346 4.689 4.340 0.006 0.000 0.295 309 R C 0.020 176.346 176.300 0.043 0.000 1.183 309 R CA 0.621 56.727 56.100 0.011 0.000 0.957 309 R CB 1.250 31.544 30.300 -0.011 0.000 1.171 309 R HN 0.986 nan 8.270 nan 0.000 0.494 310 G N 3.096 111.969 108.800 0.121 0.000 2.687 310 G HA2 -0.400 3.564 3.960 0.006 0.000 0.303 310 G HA3 -0.400 3.564 3.960 0.006 0.000 0.303 310 G C 0.484 175.437 174.900 0.088 0.000 1.209 310 G CA 0.536 45.702 45.100 0.110 0.000 0.968 310 G HN 0.581 nan 8.290 nan 0.000 0.549 311 Q N 0.428 120.256 119.800 0.047 0.000 2.246 311 Q HA 0.198 4.542 4.340 0.006 0.000 0.222 311 Q C 0.368 176.372 176.000 0.007 0.000 0.851 311 Q CA -0.233 55.590 55.803 0.033 0.000 0.945 311 Q CB 0.447 29.204 28.738 0.031 0.000 1.122 311 Q HN 0.560 nan 8.270 nan 0.000 0.508 312 E N 1.127 121.325 120.200 -0.004 0.000 2.409 312 E HA 0.173 4.527 4.350 0.006 0.000 0.257 312 E C -0.413 176.161 176.600 -0.043 0.000 1.150 312 E CA 0.323 56.711 56.400 -0.020 0.000 0.942 312 E CB 0.687 30.375 29.700 -0.020 0.000 0.979 312 E HN 0.020 nan 8.360 nan 0.000 0.447 313 R N 1.389 121.861 120.500 -0.046 0.000 2.605 313 R HA 0.220 4.564 4.340 0.006 0.000 0.291 313 R C -0.329 175.937 176.300 -0.056 0.000 1.226 313 R CA -0.321 55.740 56.100 -0.066 0.000 0.981 313 R CB 1.058 31.324 30.300 -0.057 0.000 1.215 313 R HN 0.382 nan 8.270 nan 0.000 0.428 314 R N 1.106 121.568 120.500 -0.063 0.000 2.571 314 R HA 0.464 4.807 4.340 0.006 0.000 0.259 314 R C -0.023 176.245 176.300 -0.052 0.000 1.226 314 R CA -0.549 55.524 56.100 -0.046 0.000 1.157 314 R CB 0.714 30.994 30.300 -0.033 0.000 1.220 314 R HN 0.350 nan 8.270 nan 0.000 0.605 315 R N 1.323 121.800 120.500 -0.039 0.000 2.980 315 R HA 0.085 4.428 4.340 0.006 0.000 0.211 315 R C -1.025 175.260 176.300 -0.026 0.000 1.542 315 R CA -0.134 55.941 56.100 -0.042 0.000 0.924 315 R CB 0.334 30.611 30.300 -0.038 0.000 1.492 315 R HN 0.617 nan 8.270 nan 0.000 0.436 316 M N 0.502 120.088 119.600 -0.023 0.000 2.513 316 M HA 0.698 5.181 4.480 0.006 0.000 0.291 316 M C -2.536 173.763 176.300 -0.001 0.000 1.190 316 M CA -2.101 53.199 55.300 -0.000 0.000 0.960 316 M CB 0.767 33.382 32.600 0.025 0.000 1.517 316 M HN -0.036 nan 8.290 nan 0.000 0.499 317 P HA 0.120 nan 4.420 nan 0.000 0.271 317 P C 0.646 177.981 177.300 0.058 0.000 1.216 317 P CA -0.387 62.733 63.100 0.034 0.000 0.771 317 P CB 0.504 32.230 31.700 0.044 0.000 0.864 318 L N 4.336 125.599 121.223 0.067 0.000 2.021 318 L HA -0.258 4.086 4.340 0.006 0.000 0.215 318 L C 2.129 179.145 176.870 0.243 0.000 1.074 318 L CA 2.035 56.944 54.840 0.114 0.000 0.760 318 L CB -1.141 40.999 42.059 0.135 0.000 0.889 318 L HN 0.476 nan 8.230 nan 0.000 0.433 319 E N -0.919 119.430 120.200 0.248 0.000 2.171 319 E HA -0.304 4.050 4.350 0.006 0.000 0.197 319 E C 1.442 178.219 176.600 0.296 0.000 0.997 319 E CA 1.985 58.578 56.400 0.323 0.000 0.810 319 E CB -0.938 28.885 29.700 0.206 0.000 0.738 319 E HN 0.609 nan 8.360 nan 0.000 0.467 320 D N -0.252 120.257 120.400 0.181 0.000 2.371 320 D HA -0.029 4.615 4.640 0.006 0.000 0.221 320 D C 1.129 177.497 176.300 0.113 0.000 0.986 320 D CA 0.341 54.419 54.000 0.130 0.000 0.899 320 D CB -0.328 40.524 40.800 0.087 0.000 0.902 320 D HN 0.181 nan 8.370 nan 0.000 0.530 321 F N 0.194 120.058 119.950 -0.143 0.000 2.367 321 F HA 0.155 4.685 4.527 0.006 0.000 0.298 321 F C -0.018 175.528 175.800 -0.424 0.000 1.094 321 F CA 0.211 57.991 58.000 -0.367 0.000 1.409 321 F CB -0.003 38.603 39.000 -0.657 0.000 1.064 321 F HN -0.248 nan 8.300 nan 0.000 0.528 322 F N 1.222 121.191 119.950 0.030 0.000 2.391 322 F HA 0.289 4.820 4.527 0.006 0.000 0.359 322 F C 0.767 176.552 175.800 -0.026 0.000 1.122 322 F CA -0.511 57.456 58.000 -0.054 0.000 1.120 322 F CB 0.790 39.831 39.000 0.068 0.000 1.142 322 F HN -0.202 nan 8.300 nan 0.000 0.483 323 L N 1.148 122.412 121.223 0.068 0.000 2.379 323 L HA 0.316 4.659 4.340 0.006 0.000 0.190 323 L C 0.296 177.216 176.870 0.084 0.000 1.111 323 L CA 0.442 55.312 54.840 0.050 0.000 0.820 323 L CB 0.031 42.081 42.059 -0.015 0.000 1.046 323 L HN 0.486 nan 8.230 nan 0.000 0.485 324 E N -1.256 118.992 120.200 0.079 0.000 2.416 324 E HA 0.212 4.566 4.350 0.006 0.000 0.273 324 E C -1.590 175.107 176.600 0.162 0.000 0.935 324 E CA -0.977 55.493 56.400 0.116 0.000 0.784 324 E CB 1.937 31.687 29.700 0.083 0.000 1.301 324 E HN -0.030 nan 8.360 nan 0.000 0.454 325 Y N 2.709 123.037 120.300 0.046 0.000 2.916 325 Y HA -0.213 4.340 4.550 0.006 0.000 0.344 325 Y C 0.602 176.524 175.900 0.038 0.000 1.282 325 Y CA 0.658 58.784 58.100 0.043 0.000 1.604 325 Y CB -0.065 38.414 38.460 0.032 0.000 1.207 325 Y HN 0.597 nan 8.280 nan 0.000 0.561 326 R N 2.050 122.437 120.500 -0.189 0.000 3.774 326 R HA -0.223 4.120 4.340 0.006 0.000 0.320 326 R C -0.694 175.519 176.300 -0.145 0.000 1.175 326 R CA 1.088 57.008 56.100 -0.301 0.000 0.849 326 R CB -1.531 28.391 30.300 -0.629 0.000 1.365 326 R HN 0.726 nan 8.270 nan 0.000 0.502 327 K N 0.759 121.122 120.400 -0.062 0.000 2.571 327 K HA 0.305 4.629 4.320 0.006 0.000 0.252 327 K C -1.300 175.229 176.600 -0.119 0.000 0.956 327 K CA -0.454 55.788 56.287 -0.076 0.000 0.822 327 K CB 1.490 33.953 32.500 -0.061 0.000 1.286 327 K HN -0.026 nan 8.250 nan 0.000 0.439 328 Q N 1.078 120.744 119.800 -0.222 0.000 2.458 328 Q HA 0.295 4.638 4.340 0.006 0.000 0.282 328 Q C -1.285 174.455 176.000 -0.434 0.000 1.106 328 Q CA -0.871 54.620 55.803 -0.521 0.000 0.814 328 Q CB 1.571 29.721 28.738 -0.981 0.000 1.425 328 Q HN 0.506 nan 8.270 nan 0.000 0.437 329 D N 1.231 121.299 120.400 -0.552 0.000 2.600 329 D HA 0.076 4.719 4.640 0.006 0.000 0.226 329 D C -0.938 175.346 176.300 -0.027 0.000 1.119 329 D CA 0.145 54.033 54.000 -0.187 0.000 1.051 329 D CB -0.074 40.692 40.800 -0.056 0.000 1.106 329 D HN 0.278 nan 8.370 nan 0.000 0.491 330 R N 1.748 122.231 120.500 -0.028 0.000 2.575 330 R HA 0.383 4.727 4.340 0.006 0.000 0.293 330 R C -0.494 175.839 176.300 0.055 0.000 0.983 330 R CA -0.818 55.342 56.100 0.099 0.000 0.887 330 R CB 1.176 31.573 30.300 0.161 0.000 1.184 330 R HN 0.036 nan 8.270 nan 0.000 0.445 331 R N 4.040 124.574 120.500 0.057 0.000 2.486 331 R HA 0.348 4.692 4.340 0.006 0.000 0.286 331 R C -2.403 173.896 176.300 -0.002 0.000 0.999 331 R CA -2.279 53.830 56.100 0.015 0.000 0.993 331 R CB 0.910 31.211 30.300 0.001 0.000 1.084 331 R HN 0.473 nan 8.270 nan 0.000 0.487 332 P HA -0.122 nan 4.420 nan 0.000 0.257 332 P C 0.748 177.941 177.300 -0.178 0.000 1.153 332 P CA 1.415 64.458 63.100 -0.094 0.000 0.762 332 P CB 0.124 31.772 31.700 -0.085 0.000 0.743 333 G N 1.876 110.444 108.800 -0.387 0.000 2.179 333 G HA2 -0.281 3.683 3.960 0.006 0.000 0.260 333 G HA3 -0.281 3.683 3.960 0.006 0.000 0.260 333 G C 0.104 174.825 174.900 -0.298 0.000 0.977 333 G CA 0.060 44.774 45.100 -0.643 0.000 0.641 333 G HN 0.623 nan 8.290 nan 0.000 0.533 334 E N 0.019 120.208 120.200 -0.017 0.000 2.216 334 E HA 0.663 5.016 4.350 0.006 0.000 0.279 334 E C 0.149 177.035 176.600 0.478 0.000 0.997 334 E CA -1.108 55.398 56.400 0.177 0.000 0.817 334 E CB 0.552 30.299 29.700 0.079 0.000 1.096 334 E HN 0.538 nan 8.360 nan 0.000 0.393 335 F N 1.231 121.358 119.950 0.295 0.000 2.664 335 F HA 0.629 5.160 4.527 0.007 0.000 0.329 335 F C -1.326 174.534 175.800 0.100 0.000 1.090 335 F CA -1.299 56.847 58.000 0.243 0.000 0.978 335 F CB 0.587 39.724 39.000 0.228 0.000 1.378 335 F HN 0.071 nan 8.300 nan 0.000 0.495 336 V N 1.433 121.495 119.914 0.247 0.000 2.461 336 V HA 0.193 4.317 4.120 0.006 0.000 0.275 336 V C 0.505 176.647 176.094 0.080 0.000 1.047 336 V CA 0.142 62.449 62.300 0.012 0.000 0.955 336 V CB 0.922 32.736 31.823 -0.014 0.000 0.988 336 V HN 1.017 nan 8.190 nan 0.000 0.471 337 E N 3.826 123.975 120.200 -0.086 0.000 2.434 337 E HA 0.218 4.571 4.350 0.006 0.000 0.207 337 E C 0.450 177.047 176.600 -0.004 0.000 0.929 337 E CA 0.666 57.066 56.400 -0.001 0.000 1.001 337 E CB 0.790 30.416 29.700 -0.124 0.000 1.016 337 E HN 0.830 nan 8.360 nan 0.000 0.502 338 S N -1.184 114.484 115.700 -0.053 0.000 2.701 338 S HA 0.402 4.876 4.470 0.006 0.000 0.267 338 S C -1.177 173.381 174.600 -0.070 0.000 1.034 338 S CA -0.492 57.679 58.200 -0.048 0.000 0.867 338 S CB 0.891 64.069 63.200 -0.037 0.000 1.123 338 S HN 0.465 nan 8.310 nan 0.000 0.470 339 V N -1.538 118.343 119.914 -0.055 0.000 3.007 339 V HA 0.954 5.078 4.120 0.006 0.000 0.311 339 V C -0.656 175.423 176.094 -0.024 0.000 1.120 339 V CA -0.580 61.691 62.300 -0.049 0.000 0.980 339 V CB 1.379 33.177 31.823 -0.042 0.000 1.033 339 V HN 1.125 nan 8.190 nan 0.000 0.429 340 T N 4.338 118.886 114.554 -0.010 0.000 2.841 340 T HA 0.744 5.097 4.350 0.006 0.000 0.283 340 T C -0.524 174.201 174.700 0.043 0.000 1.000 340 T CA -0.411 61.700 62.100 0.019 0.000 0.977 340 T CB 1.338 70.210 68.868 0.007 0.000 0.979 340 T HN 0.684 nan 8.240 nan 0.000 0.446 341 L N 4.359 125.645 121.223 0.104 0.000 2.334 341 L HA 0.550 4.894 4.340 0.006 0.000 0.273 341 L C -2.122 174.867 176.870 0.199 0.000 1.013 341 L CA -2.677 52.244 54.840 0.136 0.000 0.816 341 L CB 1.753 43.926 42.059 0.189 0.000 1.278 341 L HN 0.332 nan 8.230 nan 0.000 0.431 342 P HA 0.045 nan 4.420 nan 0.000 0.270 342 P C -0.276 177.196 177.300 0.286 0.000 1.223 342 P CA -0.344 62.852 63.100 0.159 0.000 0.785 342 P CB 0.918 32.701 31.700 0.138 0.000 0.923 343 K N -0.423 120.049 120.400 0.121 0.000 2.362 343 K HA 0.025 4.348 4.320 0.006 0.000 0.200 343 K C 1.102 177.788 176.600 0.142 0.000 1.046 343 K CA 0.992 57.342 56.287 0.104 0.000 0.952 343 K CB -0.006 32.450 32.500 -0.073 0.000 0.753 343 K HN 0.464 nan 8.250 nan 0.000 0.466 344 S N -1.484 114.310 115.700 0.157 0.000 2.567 344 S HA 0.602 5.075 4.470 0.006 0.000 0.270 344 S C -2.006 172.706 174.600 0.187 0.000 1.152 344 S CA -0.288 57.968 58.200 0.093 0.000 0.835 344 S CB 1.994 65.201 63.200 0.011 0.000 1.115 344 S HN 0.104 nan 8.310 nan 0.000 0.459 345 A N 3.253 126.170 122.820 0.162 0.000 2.881 345 A HA 0.537 4.861 4.320 0.006 0.000 0.265 345 A C -2.796 174.847 177.584 0.098 0.000 1.297 345 A CA -0.626 51.492 52.037 0.135 0.000 0.989 345 A CB 0.279 19.377 19.000 0.164 0.000 1.421 345 A HN 0.533 nan 8.150 nan 0.000 0.688 346 P HA 0.070 nan 4.420 nan 0.000 0.237 346 P C 1.457 178.776 177.300 0.032 0.000 1.178 346 P CA 1.543 64.659 63.100 0.027 0.000 0.766 346 P CB 0.318 32.019 31.700 0.001 0.000 0.876 347 G N -0.531 108.298 108.800 0.049 0.000 2.683 347 G HA2 0.004 3.968 3.960 0.006 0.000 0.213 347 G HA3 0.004 3.968 3.960 0.006 0.000 0.213 347 G C 0.385 175.374 174.900 0.148 0.000 1.142 347 G CA -0.100 45.051 45.100 0.085 0.000 0.793 347 G HN 0.209 nan 8.290 nan 0.000 0.534 348 L N 0.786 122.064 121.223 0.091 0.000 2.559 348 L HA 0.450 4.794 4.340 0.006 0.000 0.282 348 L C 0.112 177.020 176.870 0.064 0.000 1.232 348 L CA 0.261 55.140 54.840 0.065 0.000 0.885 348 L CB 0.470 42.548 42.059 0.032 0.000 1.131 348 L HN 0.100 nan 8.230 nan 0.000 0.498 349 R N 3.028 123.542 120.500 0.023 0.000 2.522 349 R HA 0.499 4.843 4.340 0.006 0.000 0.283 349 R C -1.663 174.395 176.300 -0.403 0.000 1.074 349 R CA -0.272 55.753 56.100 -0.125 0.000 0.925 349 R CB 1.196 31.516 30.300 0.033 0.000 1.205 349 R HN 0.754 nan 8.270 nan 0.000 0.436 350 C N 4.094 123.143 119.300 -0.418 0.000 2.351 350 C HA 0.584 5.048 4.460 0.006 0.000 0.326 350 C C -0.902 173.882 174.990 -0.344 0.000 1.272 350 C CA -0.845 57.961 59.018 -0.354 0.000 1.650 350 C CB 0.079 27.740 27.740 -0.132 0.000 2.257 350 C HN 0.737 nan 8.230 nan 0.000 0.505 351 Y N 1.423 121.745 120.300 0.036 0.000 2.376 351 Y HA 0.568 5.122 4.550 0.006 0.000 0.340 351 Y C 0.137 176.069 175.900 0.053 0.000 0.965 351 Y CA -0.748 57.386 58.100 0.057 0.000 1.078 351 Y CB 1.446 39.946 38.460 0.066 0.000 1.193 351 Y HN 0.593 nan 8.280 nan 0.000 0.452 352 K N 3.556 124.099 120.400 0.237 0.000 2.324 352 K HA 0.711 5.035 4.320 0.006 0.000 0.253 352 K C -2.208 174.486 176.600 0.157 0.000 0.932 352 K CA -0.862 55.520 56.287 0.158 0.000 0.799 352 K CB 1.747 34.328 32.500 0.135 0.000 1.154 352 K HN 0.667 nan 8.250 nan 0.000 0.425 353 L N 3.083 124.368 121.223 0.103 0.000 2.381 353 L HA 0.575 4.918 4.340 0.006 0.000 0.274 353 L C -1.425 175.474 176.870 0.050 0.000 0.988 353 L CA 0.180 55.067 54.840 0.079 0.000 0.824 353 L CB 1.973 44.058 42.059 0.044 0.000 1.263 353 L HN 0.911 nan 8.230 nan 0.000 0.410 354 S N 3.031 118.741 115.700 0.016 0.000 2.819 354 S HA 0.536 5.010 4.470 0.006 0.000 0.299 354 S C 0.323 174.880 174.600 -0.071 0.000 1.192 354 S CA -0.958 57.236 58.200 -0.009 0.000 0.847 354 S CB 1.408 64.601 63.200 -0.011 0.000 1.224 354 S HN 0.524 nan 8.310 nan 0.000 0.537 355 K N -0.037 120.318 120.400 -0.075 0.000 2.098 355 K HA 0.172 4.495 4.320 0.006 0.000 0.203 355 K C 0.714 177.205 176.600 -0.181 0.000 1.051 355 K CA 0.686 56.907 56.287 -0.110 0.000 0.957 355 K CB 0.071 32.528 32.500 -0.073 0.000 0.738 355 K HN 0.408 nan 8.250 nan 0.000 0.447 356 R N -0.535 119.872 120.500 -0.154 0.000 2.778 356 R HA 0.210 4.554 4.340 0.006 0.000 0.277 356 R C 0.567 176.776 176.300 -0.151 0.000 0.977 356 R CA -0.345 55.658 56.100 -0.162 0.000 0.950 356 R CB 0.882 31.157 30.300 -0.042 0.000 1.165 356 R HN -0.111 nan 8.270 nan 0.000 0.474 357 F N 0.152 120.117 119.950 0.025 0.000 2.163 357 F HA -0.047 4.483 4.527 0.006 0.000 0.297 357 F C 0.644 176.456 175.800 0.020 0.000 1.094 357 F CA 0.750 58.766 58.000 0.026 0.000 1.290 357 F CB 0.247 39.263 39.000 0.026 0.000 1.017 357 F HN 0.391 nan 8.300 nan 0.000 0.483 358 D N -0.043 120.484 120.400 0.212 0.000 2.193 358 D HA 0.099 4.743 4.640 0.006 0.000 0.249 358 D C -0.107 176.234 176.300 0.069 0.000 1.034 358 D CA -0.408 53.666 54.000 0.122 0.000 0.902 358 D CB 1.049 41.900 40.800 0.085 0.000 1.182 358 D HN -0.010 nan 8.370 nan 0.000 0.436 359 Q N 0.838 120.669 119.800 0.052 0.000 2.426 359 Q HA -0.260 4.084 4.340 0.006 0.000 0.359 359 Q C -1.235 174.771 176.000 0.009 0.000 1.381 359 Q CA 0.778 56.595 55.803 0.024 0.000 1.060 359 Q CB -0.541 28.208 28.738 0.019 0.000 1.253 359 Q HN 0.386 nan 8.270 nan 0.000 0.363 360 D N -0.001 120.401 120.400 0.003 0.000 2.531 360 D HA 0.584 5.228 4.640 0.006 0.000 0.244 360 D C -0.485 175.796 176.300 -0.033 0.000 1.090 360 D CA -0.631 53.363 54.000 -0.010 0.000 0.989 360 D CB 1.209 42.007 40.800 -0.002 0.000 1.433 360 D HN 0.323 nan 8.370 nan 0.000 0.492 361 I N 0.801 121.351 120.570 -0.033 0.000 2.488 361 I HA 0.221 4.395 4.170 0.006 0.000 0.299 361 I C 0.421 176.523 176.117 -0.024 0.000 0.984 361 I CA -0.553 60.719 61.300 -0.046 0.000 1.250 361 I CB 1.680 39.657 38.000 -0.040 0.000 1.389 361 I HN 0.143 nan 8.210 nan 0.000 0.488 362 S N 3.490 119.176 115.700 -0.024 0.000 2.549 362 S HA 0.200 4.673 4.470 0.006 0.000 0.279 362 S C 0.949 175.549 174.600 -0.001 0.000 1.321 362 S CA -0.371 57.828 58.200 -0.001 0.000 1.054 362 S CB 1.590 64.791 63.200 0.001 0.000 0.899 362 S HN 0.760 nan 8.310 nan 0.000 0.497 363 A N 3.427 126.255 122.820 0.014 0.000 1.930 363 A HA 0.326 4.649 4.320 0.006 0.000 0.215 363 A C 0.545 178.114 177.584 -0.025 0.000 1.176 363 A CA 0.678 52.722 52.037 0.012 0.000 0.632 363 A CB 0.172 19.212 19.000 0.067 0.000 0.819 363 A HN 0.587 nan 8.150 nan 0.000 0.445 364 V N -1.396 118.507 119.914 -0.019 0.000 2.777 364 V HA 0.369 4.493 4.120 0.006 0.000 0.306 364 V C -1.326 174.794 176.094 0.042 0.000 1.112 364 V CA -0.817 61.469 62.300 -0.023 0.000 0.917 364 V CB 1.343 33.115 31.823 -0.085 0.000 1.018 364 V HN 0.293 nan 8.190 nan 0.000 0.426 365 C N 3.805 123.149 119.300 0.074 0.000 2.340 365 C HA 0.890 5.353 4.460 0.006 0.000 0.323 365 C C 0.520 175.554 174.990 0.073 0.000 1.260 365 C CA -0.025 59.039 59.018 0.077 0.000 1.464 365 C CB 0.097 27.859 27.740 0.036 0.000 2.156 365 C HN 1.150 nan 8.230 nan 0.000 0.476 366 G N 4.564 113.385 108.800 0.035 0.000 2.557 366 G HA2 0.586 4.550 3.960 0.006 0.000 0.310 366 G HA3 0.586 4.550 3.960 0.006 0.000 0.310 366 G C -0.914 173.818 174.900 -0.279 0.000 1.328 366 G CA -0.162 44.770 45.100 -0.281 0.000 0.945 366 G HN 0.891 nan 8.290 nan 0.000 0.494 367 C N 2.811 121.869 119.300 -0.404 0.000 2.298 367 C HA 0.686 5.149 4.460 0.006 0.000 0.323 367 C C -0.231 174.570 174.990 -0.314 0.000 1.284 367 C CA -0.612 58.230 59.018 -0.294 0.000 1.577 367 C CB -0.229 27.394 27.740 -0.196 0.000 2.249 367 C HN 0.593 nan 8.230 nan 0.000 0.497 368 L N 4.234 125.279 121.223 -0.297 0.000 2.362 368 L HA 0.574 4.918 4.340 0.006 0.000 0.275 368 L C -0.200 176.508 176.870 -0.271 0.000 0.998 368 L CA 0.032 54.642 54.840 -0.383 0.000 0.820 368 L CB 1.182 42.796 42.059 -0.741 0.000 1.270 368 L HN 0.555 nan 8.230 nan 0.000 0.415 369 N N 3.469 122.044 118.700 -0.209 0.000 2.549 369 N HA 0.491 5.234 4.740 0.006 0.000 0.281 369 N C -1.805 173.670 175.510 -0.058 0.000 1.084 369 N CA -0.274 52.741 53.050 -0.059 0.000 0.862 369 N CB 1.058 39.524 38.487 -0.035 0.000 1.333 369 N HN 0.466 nan 8.380 nan 0.000 0.523 370 L N 2.230 123.457 121.223 0.008 0.000 2.322 370 L HA 0.543 4.887 4.340 0.006 0.000 0.281 370 L C 0.083 176.921 176.870 -0.053 0.000 1.014 370 L CA -0.696 54.124 54.840 -0.033 0.000 0.815 370 L CB 1.882 43.916 42.059 -0.040 0.000 1.247 370 L HN 0.331 nan 8.230 nan 0.000 0.421 371 T N 4.096 118.611 114.554 -0.065 0.000 2.867 371 T HA 0.628 4.982 4.350 0.006 0.000 0.282 371 T C -0.002 174.640 174.700 -0.098 0.000 1.000 371 T CA -0.454 61.605 62.100 -0.068 0.000 1.042 371 T CB 1.630 70.475 68.868 -0.038 0.000 0.973 371 T HN 0.290 nan 8.240 nan 0.000 0.465 372 L N 2.282 123.442 121.223 -0.104 0.000 2.334 372 L HA 0.647 4.990 4.340 0.006 0.000 0.273 372 L C 0.108 176.947 176.870 -0.051 0.000 1.013 372 L CA -1.169 53.611 54.840 -0.101 0.000 0.816 372 L CB 1.541 43.515 42.059 -0.142 0.000 1.278 372 L HN 0.382 nan 8.230 nan 0.000 0.431 373 K N 1.702 122.082 120.400 -0.033 0.000 2.533 373 K HA 0.386 4.709 4.320 0.006 0.000 0.207 373 K C -0.107 176.490 176.600 -0.005 0.000 1.052 373 K CA -0.323 55.955 56.287 -0.016 0.000 1.030 373 K CB 0.492 32.986 32.500 -0.009 0.000 1.522 373 K HN 0.695 nan 8.250 nan 0.000 0.543 374 G N 2.132 110.929 108.800 -0.005 0.000 2.527 374 G HA2 -0.260 3.704 3.960 0.006 0.000 0.183 374 G HA3 -0.260 3.704 3.960 0.006 0.000 0.183 374 G C 0.491 175.407 174.900 0.027 0.000 0.167 374 G CA 0.975 46.081 45.100 0.010 0.000 1.085 374 G HN 1.143 nan 8.290 nan 0.000 0.502 375 S N 0.331 116.061 115.700 0.051 0.000 2.580 375 S HA -0.272 4.202 4.470 0.006 0.000 0.251 375 S C 1.031 175.688 174.600 0.094 0.000 1.281 375 S CA 2.657 60.910 58.200 0.089 0.000 1.558 375 S CB -0.883 62.358 63.200 0.068 0.000 1.996 375 S HN 1.148 nan 8.310 nan 0.000 0.656 376 K N 0.743 121.174 120.400 0.051 0.000 2.207 376 K HA 0.568 4.892 4.320 0.006 0.000 0.255 376 K C -0.302 176.308 176.600 0.017 0.000 0.941 376 K CA -0.643 55.671 56.287 0.044 0.000 0.825 376 K CB 1.120 33.636 32.500 0.025 0.000 1.119 376 K HN 0.407 nan 8.250 nan 0.000 0.430 377 I N 3.952 124.538 120.570 0.027 0.000 2.308 377 I HA -0.011 4.162 4.170 0.006 0.000 0.293 377 I C 1.520 177.625 176.117 -0.019 0.000 1.078 377 I CA -0.055 61.240 61.300 -0.007 0.000 1.292 377 I CB 0.806 38.821 38.000 0.025 0.000 1.423 377 I HN 0.572 nan 8.210 nan 0.000 0.493 378 E N 3.942 124.122 120.200 -0.033 0.000 2.011 378 E HA 0.012 4.366 4.350 0.006 0.000 0.191 378 E C 0.402 176.986 176.600 -0.026 0.000 0.980 378 E CA 1.188 57.572 56.400 -0.026 0.000 0.814 378 E CB 0.297 29.981 29.700 -0.027 0.000 0.775 378 E HN 0.586 nan 8.360 nan 0.000 0.454 379 T N -0.519 114.016 114.554 -0.032 0.000 2.908 379 T HA 0.743 5.097 4.350 0.006 0.000 0.290 379 T C -0.692 173.985 174.700 -0.038 0.000 1.034 379 T CA -0.811 61.272 62.100 -0.029 0.000 1.010 379 T CB 2.161 71.017 68.868 -0.021 0.000 1.068 379 T HN 0.171 nan 8.240 nan 0.000 0.481 380 A N 2.187 124.986 122.820 -0.036 0.000 2.476 380 A HA 0.648 4.971 4.320 0.006 0.000 0.280 380 A C -0.506 177.059 177.584 -0.031 0.000 1.081 380 A CA -0.889 51.120 52.037 -0.047 0.000 0.753 380 A CB 0.958 19.918 19.000 -0.067 0.000 1.248 380 A HN 0.707 nan 8.150 nan 0.000 0.424 381 R N 2.296 122.774 120.500 -0.037 0.000 2.246 381 R HA 0.607 4.950 4.340 0.006 0.000 0.332 381 R C -1.256 175.015 176.300 -0.048 0.000 0.974 381 R CA -0.207 55.879 56.100 -0.023 0.000 0.837 381 R CB 1.246 31.533 30.300 -0.021 0.000 1.145 381 R HN 0.662 nan 8.270 nan 0.000 0.467 382 I N 2.445 123.013 120.570 -0.003 0.000 2.468 382 I HA 0.411 4.584 4.170 0.006 0.000 0.284 382 I C -0.481 175.633 176.117 -0.006 0.000 1.038 382 I CA -0.613 60.672 61.300 -0.026 0.000 1.083 382 I CB 1.983 40.061 38.000 0.130 0.000 1.223 382 I HN 0.585 nan 8.210 nan 0.000 0.443 383 A N 6.414 129.128 122.820 -0.176 0.000 2.374 383 A HA 0.929 5.252 4.320 0.006 0.000 0.317 383 A C -1.418 175.934 177.584 -0.387 0.000 1.094 383 A CA -0.345 51.626 52.037 -0.110 0.000 0.765 383 A CB 1.206 20.179 19.000 -0.045 0.000 1.268 383 A HN 0.541 nan 8.150 nan 0.000 0.438 384 F N 0.166 120.126 119.950 0.015 0.000 2.578 384 F HA 0.637 5.167 4.527 0.006 0.000 0.311 384 F C 0.736 176.467 175.800 -0.116 0.000 1.094 384 F CA -0.276 57.648 58.000 -0.127 0.000 0.923 384 F CB 2.865 41.618 39.000 -0.412 0.000 1.230 384 F HN 0.794 nan 8.300 nan 0.000 0.450 385 G N -0.158 108.685 108.800 0.071 0.000 2.453 385 G HA2 0.486 4.450 3.960 0.006 0.000 0.323 385 G HA3 0.486 4.450 3.960 0.006 0.000 0.323 385 G C 0.476 175.361 174.900 -0.024 0.000 1.198 385 G CA -0.376 44.727 45.100 0.004 0.000 0.959 385 G HN 1.305 nan 8.290 nan 0.000 0.482 386 G N 0.498 109.269 108.800 -0.049 0.000 2.179 386 G HA2 -0.251 3.712 3.960 0.006 0.000 0.260 386 G HA3 -0.251 3.712 3.960 0.006 0.000 0.260 386 G C 1.005 175.830 174.900 -0.125 0.000 0.977 386 G CA 0.806 45.863 45.100 -0.072 0.000 0.641 386 G HN 0.528 nan 8.290 nan 0.000 0.533 387 M N -0.043 119.447 119.600 -0.184 0.000 2.333 387 M HA 0.634 5.117 4.480 0.006 0.000 0.257 387 M C 0.880 177.140 176.300 -0.066 0.000 1.078 387 M CA 0.903 56.022 55.300 -0.302 0.000 1.005 387 M CB 0.090 32.140 32.600 -0.916 0.000 1.444 387 M HN 1.103 nan 8.290 nan 0.000 0.496 388 A N -1.475 121.346 122.820 0.002 0.000 2.564 388 A HA 0.664 4.988 4.320 0.006 0.000 0.291 388 A C 0.784 178.368 177.584 -0.000 0.000 1.102 388 A CA -0.112 51.970 52.037 0.075 0.000 0.660 388 A CB -0.379 18.762 19.000 0.237 0.000 1.283 388 A HN 0.220 nan 8.150 nan 0.000 0.430 389 G N -1.079 107.715 108.800 -0.009 0.000 2.653 389 G HA2 0.375 4.338 3.960 0.006 0.000 0.212 389 G HA3 0.375 4.338 3.960 0.006 0.000 0.212 389 G C 0.353 175.310 174.900 0.096 0.000 1.138 389 G CA 1.469 46.549 45.100 -0.032 0.000 0.782 389 G HN 1.645 nan 8.290 nan 0.000 0.535 390 V N -0.617 119.342 119.914 0.076 0.000 3.167 390 V HA 0.463 4.586 4.120 0.006 0.000 0.293 390 V C -2.586 173.517 176.094 0.014 0.000 1.379 390 V CA -1.850 60.481 62.300 0.052 0.000 1.019 390 V CB 2.842 34.740 31.823 0.126 0.000 1.115 390 V HN -0.067 nan 8.190 nan 0.000 0.442 391 P HA 0.433 nan 4.420 nan 0.000 0.271 391 P C -1.703 175.630 177.300 0.056 0.000 1.220 391 P CA -0.010 63.040 63.100 -0.083 0.000 0.768 391 P CB 0.250 31.767 31.700 -0.305 0.000 0.848 392 K N 1.188 121.704 120.400 0.193 0.000 2.568 392 K HA 0.514 4.838 4.320 0.006 0.000 0.273 392 K C -0.686 176.095 176.600 0.302 0.000 0.951 392 K CA -1.165 55.261 56.287 0.231 0.000 0.854 392 K CB 1.627 34.253 32.500 0.211 0.000 1.424 392 K HN 0.087 nan 8.250 nan 0.000 0.427 393 R N 0.529 121.151 120.500 0.205 0.000 2.679 393 R HA 0.346 4.690 4.340 0.006 0.000 0.269 393 R C -0.167 176.267 176.300 0.223 0.000 1.076 393 R CA -0.212 56.011 56.100 0.205 0.000 1.160 393 R CB 0.953 31.326 30.300 0.122 0.000 1.054 393 R HN 0.765 nan 8.270 nan 0.000 0.507 394 A N 1.596 124.592 122.820 0.292 0.000 3.095 394 A HA 0.372 4.696 4.320 0.006 0.000 0.301 394 A C 1.207 178.884 177.584 0.156 0.000 1.432 394 A CA 0.026 52.200 52.037 0.228 0.000 1.140 394 A CB -0.032 19.302 19.000 0.557 0.000 1.174 394 A HN 0.878 nan 8.150 nan 0.000 0.546 395 A N 1.731 124.581 122.820 0.050 0.000 1.870 395 A HA -0.077 4.246 4.320 0.006 0.000 0.219 395 A C 2.514 180.130 177.584 0.053 0.000 1.224 395 A CA 2.643 54.705 52.037 0.041 0.000 0.650 395 A CB -1.126 17.878 19.000 0.006 0.000 0.836 395 A HN 1.563 nan 8.150 nan 0.000 0.454 396 A N -1.624 121.222 122.820 0.043 0.000 1.892 396 A HA -0.141 4.182 4.320 0.006 0.000 0.218 396 A C 2.116 179.778 177.584 0.130 0.000 1.188 396 A CA 2.053 54.128 52.037 0.063 0.000 0.631 396 A CB -0.853 18.175 19.000 0.047 0.000 0.822 396 A HN 0.819 nan 8.150 nan 0.000 0.447 397 F N 0.826 120.793 119.950 0.028 0.000 2.102 397 F HA -0.152 4.379 4.527 0.006 0.000 0.298 397 F C 2.223 178.059 175.800 0.060 0.000 1.105 397 F CA 2.139 60.176 58.000 0.061 0.000 1.239 397 F CB -0.479 38.587 39.000 0.111 0.000 0.991 397 F HN 0.403 nan 8.300 nan 0.000 0.474 398 E N 0.195 120.394 120.200 -0.001 0.000 2.033 398 E HA -0.272 4.081 4.350 0.006 0.000 0.199 398 E C 2.404 178.937 176.600 -0.111 0.000 1.011 398 E CA 1.304 57.650 56.400 -0.090 0.000 0.815 398 E CB -0.608 29.098 29.700 0.010 0.000 0.755 398 E HN 0.478 nan 8.360 nan 0.000 0.451 399 A N 1.519 124.311 122.820 -0.047 0.000 1.873 399 A HA -0.208 4.116 4.320 0.006 0.000 0.218 399 A C 2.350 179.899 177.584 -0.057 0.000 1.193 399 A CA 2.045 54.060 52.037 -0.037 0.000 0.629 399 A CB -0.828 18.166 19.000 -0.011 0.000 0.826 399 A HN 0.319 nan 8.150 nan 0.000 0.447 400 A N -1.929 120.850 122.820 -0.069 0.000 2.248 400 A HA 0.248 4.572 4.320 0.006 0.000 0.210 400 A C 1.774 179.297 177.584 -0.103 0.000 1.174 400 A CA 1.184 53.184 52.037 -0.062 0.000 0.750 400 A CB -0.315 18.668 19.000 -0.029 0.000 0.780 400 A HN 0.413 nan 8.150 nan 0.000 0.478 401 L N -0.606 120.522 121.223 -0.158 0.000 2.357 401 L HA 0.356 4.699 4.340 0.006 0.000 0.211 401 L C 0.796 177.623 176.870 -0.071 0.000 1.075 401 L CA 0.480 55.223 54.840 -0.162 0.000 0.830 401 L CB -0.264 41.622 42.059 -0.288 0.000 0.996 401 L HN 0.324 nan 8.230 nan 0.000 0.467 402 I N -0.119 120.415 120.570 -0.060 0.000 2.815 402 I HA 0.181 4.355 4.170 0.006 0.000 0.291 402 I C 1.662 177.771 176.117 -0.014 0.000 1.209 402 I CA 1.004 62.285 61.300 -0.031 0.000 1.431 402 I CB -0.072 37.911 38.000 -0.028 0.000 1.351 402 I HN 0.455 nan 8.210 nan 0.000 0.585 403 G N 3.563 112.361 108.800 -0.003 0.000 2.304 403 G HA2 -0.229 3.735 3.960 0.006 0.000 0.252 403 G HA3 -0.229 3.735 3.960 0.006 0.000 0.252 403 G C 0.432 175.342 174.900 0.017 0.000 1.014 403 G CA -0.308 44.795 45.100 0.006 0.000 0.619 403 G HN 0.581 nan 8.290 nan 0.000 0.525 404 Q N 1.095 120.907 119.800 0.020 0.000 2.443 404 Q HA 0.343 4.687 4.340 0.006 0.000 0.232 404 Q C -0.255 175.783 176.000 0.065 0.000 1.026 404 Q CA -0.212 55.611 55.803 0.034 0.000 0.924 404 Q CB 0.504 29.257 28.738 0.026 0.000 1.256 404 Q HN 0.382 nan 8.270 nan 0.000 0.519 405 D N 0.650 121.091 120.400 0.070 0.000 2.341 405 D HA 0.069 4.712 4.640 0.006 0.000 0.245 405 D C -0.663 175.737 176.300 0.166 0.000 1.106 405 D CA -0.082 53.980 54.000 0.103 0.000 0.905 405 D CB 0.332 41.173 40.800 0.069 0.000 1.202 405 D HN 0.271 nan 8.370 nan 0.000 0.426 406 F N 3.618 123.585 119.950 0.028 0.000 2.605 406 F HA 0.221 4.752 4.527 0.006 0.000 0.352 406 F C 0.349 176.176 175.800 0.045 0.000 1.236 406 F CA -0.152 57.875 58.000 0.045 0.000 1.267 406 F CB -0.337 38.694 39.000 0.052 0.000 1.632 406 F HN 0.030 nan 8.300 nan 0.000 0.639 407 R N 2.119 122.520 120.500 -0.165 0.000 2.888 407 R HA 0.186 4.530 4.340 0.006 0.000 0.266 407 R C 1.193 177.369 176.300 -0.206 0.000 1.020 407 R CA -0.665 55.325 56.100 -0.184 0.000 0.963 407 R CB 1.775 32.040 30.300 -0.059 0.000 1.197 407 R HN 0.540 nan 8.270 nan 0.000 0.481 408 E N 0.976 121.078 120.200 -0.164 0.000 2.051 408 E HA -0.249 4.105 4.350 0.006 0.000 0.192 408 E C 0.787 177.364 176.600 -0.040 0.000 0.991 408 E CA 2.340 58.678 56.400 -0.104 0.000 0.799 408 E CB 0.038 29.695 29.700 -0.073 0.000 0.748 408 E HN 0.664 nan 8.360 nan 0.000 0.449 409 D N 0.149 120.533 120.400 -0.026 0.000 2.190 409 D HA -0.242 4.401 4.640 0.006 0.000 0.200 409 D C 2.075 178.384 176.300 0.015 0.000 0.992 409 D CA 2.167 56.167 54.000 -0.000 0.000 0.854 409 D CB -1.258 39.542 40.800 0.000 0.000 0.936 409 D HN 0.401 nan 8.370 nan 0.000 0.462 410 T N -1.260 113.299 114.554 0.009 0.000 2.821 410 T HA -0.077 4.277 4.350 0.006 0.000 0.267 410 T C 2.023 176.756 174.700 0.054 0.000 1.046 410 T CA 0.763 62.880 62.100 0.028 0.000 1.139 410 T CB -0.387 68.498 68.868 0.027 0.000 0.871 410 T HN 0.090 nan 8.240 nan 0.000 0.454 411 I N 2.480 123.086 120.570 0.060 0.000 2.252 411 I HA 0.006 4.180 4.170 0.006 0.000 0.245 411 I C 3.215 179.434 176.117 0.169 0.000 1.102 411 I CA 1.196 62.582 61.300 0.143 0.000 1.385 411 I CB -1.846 36.245 38.000 0.152 0.000 1.064 411 I HN 0.401 nan 8.210 nan 0.000 0.414 412 A N 1.032 123.909 122.820 0.096 0.000 1.948 412 A HA -0.164 4.160 4.320 0.006 0.000 0.220 412 A C 2.416 180.052 177.584 0.086 0.000 1.177 412 A CA 2.136 54.220 52.037 0.078 0.000 0.636 412 A CB -0.652 18.373 19.000 0.042 0.000 0.815 412 A HN 0.444 nan 8.150 nan 0.000 0.449 413 A N -1.330 121.541 122.820 0.085 0.000 2.169 413 A HA 0.503 4.827 4.320 0.006 0.000 0.212 413 A C 2.048 179.697 177.584 0.108 0.000 1.153 413 A CA 1.211 53.293 52.037 0.076 0.000 0.756 413 A CB -0.405 18.626 19.000 0.053 0.000 0.813 413 A HN 0.958 nan 8.150 nan 0.000 0.471 414 A N -0.540 122.385 122.820 0.174 0.000 2.220 414 A HA 0.337 4.660 4.320 0.006 0.000 0.211 414 A C 1.800 179.599 177.584 0.358 0.000 1.176 414 A CA 0.185 52.378 52.037 0.260 0.000 0.834 414 A CB -0.366 18.788 19.000 0.257 0.000 0.868 414 A HN 0.399 nan 8.150 nan 0.000 0.488 415 L N -0.104 121.264 121.223 0.241 0.000 2.051 415 L HA -0.171 4.172 4.340 0.006 0.000 0.214 415 L C -0.581 176.294 176.870 0.009 0.000 1.076 415 L CA 1.680 56.556 54.840 0.061 0.000 0.758 415 L CB -1.620 40.445 42.059 0.010 0.000 0.890 415 L HN 0.225 nan 8.230 nan 0.000 0.433 416 P HA -0.160 nan 4.420 nan 0.000 0.221 416 P C 1.746 179.069 177.300 0.038 0.000 1.145 416 P CA 1.180 64.294 63.100 0.025 0.000 0.795 416 P CB 0.025 31.744 31.700 0.033 0.000 0.775 417 L N -1.797 119.486 121.223 0.100 0.000 2.456 417 L HA -0.102 4.241 4.340 0.006 0.000 0.224 417 L C 2.165 179.083 176.870 0.081 0.000 1.148 417 L CA 0.742 55.655 54.840 0.121 0.000 0.825 417 L CB -0.642 41.551 42.059 0.224 0.000 0.937 417 L HN 0.008 nan 8.230 nan 0.000 0.450 418 L N -0.600 120.619 121.223 -0.006 0.000 2.156 418 L HA -0.106 4.238 4.340 0.006 0.000 0.208 418 L C 2.629 179.499 176.870 0.001 0.000 1.095 418 L CA 0.819 55.629 54.840 -0.051 0.000 0.770 418 L CB -0.420 41.494 42.059 -0.242 0.000 0.914 418 L HN 0.241 nan 8.230 nan 0.000 0.439 419 A N -1.103 121.706 122.820 -0.019 0.000 2.209 419 A HA -0.151 4.173 4.320 0.006 0.000 0.212 419 A C 2.107 179.684 177.584 -0.011 0.000 1.158 419 A CA 0.977 53.007 52.037 -0.011 0.000 0.742 419 A CB -0.185 18.804 19.000 -0.018 0.000 0.790 419 A HN 0.480 nan 8.150 nan 0.000 0.472 420 Q N -1.005 118.784 119.800 -0.019 0.000 2.349 420 Q HA -0.051 4.292 4.340 0.006 0.000 0.209 420 Q C 0.924 176.866 176.000 -0.097 0.000 0.920 420 Q CA 0.709 56.490 55.803 -0.035 0.000 0.901 420 Q CB 0.137 28.868 28.738 -0.012 0.000 1.021 420 Q HN 0.534 nan 8.270 nan 0.000 0.519 421 D N -0.326 119.982 120.400 -0.154 0.000 2.149 421 D HA -0.017 4.626 4.640 0.006 0.000 0.201 421 D C -0.223 175.662 176.300 -0.692 0.000 0.972 421 D CA 1.082 54.824 54.000 -0.429 0.000 0.835 421 D CB 0.332 40.840 40.800 -0.486 0.000 0.966 421 D HN 0.015 nan 8.370 nan 0.000 0.476 422 F N -0.830 119.076 119.950 -0.074 0.000 2.565 422 F HA 0.322 4.853 4.527 0.006 0.000 0.313 422 F C 0.130 175.875 175.800 -0.091 0.000 1.091 422 F CA -0.801 57.144 58.000 -0.092 0.000 0.915 422 F CB 2.299 41.203 39.000 -0.161 0.000 1.208 422 F HN -0.521 nan 8.300 nan 0.000 0.453 423 T N 3.390 118.014 114.554 0.116 0.000 3.250 423 T HA 0.361 4.714 4.350 0.006 0.000 0.391 423 T C -2.531 172.183 174.700 0.023 0.000 1.502 423 T CA -1.254 60.870 62.100 0.041 0.000 1.320 423 T CB 0.233 69.110 68.868 0.015 0.000 1.102 423 T HN 0.149 nan 8.240 nan 0.000 0.610 424 P HA 0.450 nan 4.420 nan 0.000 0.274 424 P C -0.509 176.768 177.300 -0.040 0.000 1.237 424 P CA -0.786 62.288 63.100 -0.042 0.000 0.793 424 P CB 0.741 32.383 31.700 -0.097 0.000 0.977 425 L N 0.478 121.672 121.223 -0.049 0.000 2.387 425 L HA 0.420 4.764 4.340 0.006 0.000 0.266 425 L C 0.521 177.372 176.870 -0.031 0.000 1.059 425 L CA 0.046 54.861 54.840 -0.042 0.000 0.801 425 L CB 1.177 43.200 42.059 -0.059 0.000 1.223 425 L HN 0.311 nan 8.230 nan 0.000 0.456 426 S N 0.276 115.962 115.700 -0.022 0.000 2.525 426 S HA 0.679 5.152 4.470 0.006 0.000 0.290 426 S C -0.971 173.620 174.600 -0.015 0.000 1.152 426 S CA -0.589 57.603 58.200 -0.012 0.000 1.072 426 S CB 1.364 64.558 63.200 -0.009 0.000 1.027 426 S HN 0.711 nan 8.310 nan 0.000 0.500 427 D N 0.751 121.145 120.400 -0.009 0.000 3.103 427 D HA 0.123 4.767 4.640 0.006 0.000 0.337 427 D C 0.847 177.142 176.300 -0.009 0.000 1.356 427 D CA -0.713 53.280 54.000 -0.011 0.000 0.951 427 D CB -0.290 40.502 40.800 -0.013 0.000 1.438 427 D HN 0.390 nan 8.370 nan 0.000 0.562 428 M N -0.332 119.263 119.600 -0.009 0.000 2.476 428 M HA 0.155 4.639 4.480 0.006 0.000 0.262 428 M C 0.725 177.016 176.300 -0.015 0.000 1.079 428 M CA 1.141 56.434 55.300 -0.013 0.000 1.104 428 M CB -0.593 32.002 32.600 -0.009 0.000 1.409 428 M HN 0.412 nan 8.290 nan 0.000 0.467 429 R N 0.903 121.399 120.500 -0.006 0.000 2.223 429 R HA 0.486 4.830 4.340 0.006 0.000 0.198 429 R C 0.424 176.731 176.300 0.012 0.000 0.984 429 R CA 0.689 56.788 56.100 -0.001 0.000 1.018 429 R CB 0.352 30.657 30.300 0.008 0.000 0.945 429 R HN 0.515 nan 8.270 nan 0.000 0.479 430 A N 0.131 122.965 122.820 0.024 0.000 2.583 430 A HA 0.360 4.684 4.320 0.006 0.000 0.292 430 A C -0.997 176.621 177.584 0.056 0.000 1.045 430 A CA -0.846 51.231 52.037 0.066 0.000 0.672 430 A CB 0.889 20.029 19.000 0.233 0.000 1.283 430 A HN 0.109 nan 8.150 nan 0.000 0.419 431 S N 0.907 116.646 115.700 0.066 0.000 2.586 431 S HA 0.588 5.061 4.470 0.006 0.000 0.274 431 S C 1.367 176.009 174.600 0.070 0.000 1.281 431 S CA 0.156 58.385 58.200 0.048 0.000 1.035 431 S CB 1.481 64.697 63.200 0.027 0.000 0.962 431 S HN 2.227 nan 8.310 nan 0.000 0.512 432 A N 3.072 125.905 122.820 0.022 0.000 1.915 432 A HA -0.084 4.240 4.320 0.006 0.000 0.220 432 A C 2.413 179.999 177.584 0.003 0.000 1.198 432 A CA 2.369 54.405 52.037 -0.002 0.000 0.647 432 A CB -1.747 17.245 19.000 -0.013 0.000 0.825 432 A HN 1.463 nan 8.150 nan 0.000 0.456 433 A N -1.780 121.055 122.820 0.025 0.000 1.883 433 A HA -0.153 4.171 4.320 0.006 0.000 0.217 433 A C 2.176 179.792 177.584 0.053 0.000 1.186 433 A CA 1.856 53.908 52.037 0.024 0.000 0.624 433 A CB -0.853 18.166 19.000 0.032 0.000 0.822 433 A HN 0.783 nan 8.150 nan 0.000 0.444 434 Y N 0.602 120.869 120.300 -0.055 0.000 2.181 434 Y HA -0.165 4.389 4.550 0.006 0.000 0.288 434 Y C 2.484 178.339 175.900 -0.075 0.000 1.146 434 Y CA 1.854 59.919 58.100 -0.058 0.000 1.164 434 Y CB -0.299 38.129 38.460 -0.052 0.000 0.982 434 Y HN 0.263 nan 8.280 nan 0.000 0.515 435 R N -1.091 119.324 120.500 -0.143 0.000 2.092 435 R HA -0.176 4.168 4.340 0.006 0.000 0.231 435 R C 2.216 178.338 176.300 -0.297 0.000 1.119 435 R CA 1.598 57.533 56.100 -0.275 0.000 0.970 435 R CB -0.421 29.779 30.300 -0.167 0.000 0.864 435 R HN 0.373 nan 8.270 nan 0.000 0.440 436 M N 1.379 120.856 119.600 -0.205 0.000 2.067 436 M HA -0.165 4.319 4.480 0.006 0.000 0.260 436 M C 1.834 178.003 176.300 -0.219 0.000 1.069 436 M CA 1.656 56.833 55.300 -0.206 0.000 1.117 436 M CB -0.597 31.930 32.600 -0.122 0.000 1.334 436 M HN 0.018 nan 8.290 nan 0.000 0.407 437 N N -0.220 118.375 118.700 -0.175 0.000 2.348 437 N HA -0.133 4.611 4.740 0.006 0.000 0.185 437 N C 1.287 176.665 175.510 -0.221 0.000 1.019 437 N CA 1.512 54.469 53.050 -0.155 0.000 0.880 437 N CB 0.044 38.483 38.487 -0.081 0.000 0.965 437 N HN 0.509 nan 8.380 nan 0.000 0.437 438 A N 0.105 122.719 122.820 -0.344 0.000 2.030 438 A HA 0.324 4.647 4.320 0.006 0.000 0.215 438 A C 2.292 179.742 177.584 -0.222 0.000 1.164 438 A CA 0.856 52.690 52.037 -0.338 0.000 0.697 438 A CB -0.328 18.351 19.000 -0.535 0.000 0.827 438 A HN 0.350 nan 8.150 nan 0.000 0.457 439 A N -0.068 122.573 122.820 -0.300 0.000 1.902 439 A HA -0.218 4.106 4.320 0.006 0.000 0.217 439 A C 2.091 179.567 177.584 -0.181 0.000 1.181 439 A CA 1.712 53.540 52.037 -0.349 0.000 0.623 439 A CB -0.581 17.920 19.000 -0.831 0.000 0.818 439 A HN 0.600 nan 8.150 nan 0.000 0.443 440 Q N -0.703 118.970 119.800 -0.212 0.000 2.096 440 Q HA -0.121 4.223 4.340 0.006 0.000 0.204 440 Q C 2.381 178.340 176.000 -0.068 0.000 0.982 440 Q CA 1.507 57.217 55.803 -0.155 0.000 0.850 440 Q CB -0.391 28.263 28.738 -0.140 0.000 0.901 440 Q HN 0.691 nan 8.270 nan 0.000 0.422 441 A N 0.340 123.117 122.820 -0.072 0.000 1.969 441 A HA -0.168 4.156 4.320 0.006 0.000 0.218 441 A C 1.990 179.558 177.584 -0.027 0.000 1.169 441 A CA 1.120 53.129 52.037 -0.048 0.000 0.635 441 A CB -0.424 18.532 19.000 -0.074 0.000 0.810 441 A HN 0.305 nan 8.150 nan 0.000 0.445 442 M N -0.482 119.123 119.600 0.009 0.000 2.108 442 M HA -0.191 4.293 4.480 0.006 0.000 0.261 442 M C 2.482 178.894 176.300 0.186 0.000 1.066 442 M CA 1.507 56.849 55.300 0.071 0.000 1.107 442 M CB -0.349 32.407 32.600 0.260 0.000 1.356 442 M HN 0.498 nan 8.290 nan 0.000 0.406 443 A N 0.286 123.221 122.820 0.192 0.000 1.865 443 A HA -0.187 4.137 4.320 0.006 0.000 0.217 443 A C 2.044 179.768 177.584 0.233 0.000 1.191 443 A CA 1.650 53.840 52.037 0.256 0.000 0.623 443 A CB -1.088 18.045 19.000 0.222 0.000 0.826 443 A HN 0.492 nan 8.150 nan 0.000 0.444 444 L N -1.229 120.069 121.223 0.124 0.000 2.191 444 L HA -0.155 4.188 4.340 0.006 0.000 0.212 444 L C 2.767 179.684 176.870 0.079 0.000 1.103 444 L CA 1.483 56.374 54.840 0.086 0.000 0.769 444 L CB -0.429 41.651 42.059 0.034 0.000 0.908 444 L HN 0.476 nan 8.230 nan 0.000 0.438 445 R N -0.673 119.859 120.500 0.054 0.000 2.066 445 R HA -0.230 4.114 4.340 0.006 0.000 0.232 445 R C 2.448 178.831 176.300 0.139 0.000 1.131 445 R CA 1.565 57.655 56.100 -0.016 0.000 0.955 445 R CB -0.431 29.696 30.300 -0.289 0.000 0.851 445 R HN 0.202 nan 8.270 nan 0.000 0.432 446 Y N 1.160 121.573 120.300 0.187 0.000 2.081 446 Y HA -0.318 4.236 4.550 0.006 0.000 0.280 446 Y C 2.110 178.156 175.900 0.244 0.000 1.163 446 Y CA 2.255 60.544 58.100 0.316 0.000 1.135 446 Y CB -0.449 38.225 38.460 0.358 0.000 0.970 446 Y HN -0.097 nan 8.280 nan 0.000 0.498 447 V N 0.427 120.503 119.914 0.270 0.000 2.255 447 V HA -0.361 3.763 4.120 0.006 0.000 0.247 447 V C 2.344 178.411 176.094 -0.046 0.000 1.051 447 V CA 2.396 64.683 62.300 -0.020 0.000 1.018 447 V CB -0.961 30.728 31.823 -0.224 0.000 0.641 447 V HN 0.319 nan 8.190 nan 0.000 0.445 448 R N -0.186 120.308 120.500 -0.010 0.000 2.105 448 R HA -0.200 4.143 4.340 0.006 0.000 0.239 448 R C 2.475 178.770 176.300 -0.008 0.000 1.135 448 R CA 1.853 57.942 56.100 -0.017 0.000 0.967 448 R CB -0.344 29.951 30.300 -0.009 0.000 0.861 448 R HN 0.692 nan 8.270 nan 0.000 0.442 449 E N 0.930 121.132 120.200 0.004 0.000 2.017 449 E HA -0.160 4.194 4.350 0.006 0.000 0.193 449 E C 1.907 178.490 176.600 -0.028 0.000 0.997 449 E CA 0.962 57.363 56.400 0.002 0.000 0.804 449 E CB 0.008 29.738 29.700 0.051 0.000 0.757 449 E HN 0.260 nan 8.360 nan 0.000 0.448 450 L N 0.698 121.876 121.223 -0.075 0.000 2.353 450 L HA -0.106 4.238 4.340 0.006 0.000 0.220 450 L C 2.338 179.233 176.870 0.041 0.000 1.133 450 L CA 0.811 55.630 54.840 -0.035 0.000 0.798 450 L CB -0.261 41.785 42.059 -0.022 0.000 0.922 450 L HN 0.119 nan 8.230 nan 0.000 0.445 451 S N -0.092 115.625 115.700 0.028 0.000 2.660 451 S HA 0.182 4.655 4.470 0.006 0.000 0.227 451 S C 1.368 175.974 174.600 0.010 0.000 0.948 451 S CA 0.333 58.548 58.200 0.025 0.000 0.948 451 S CB -0.206 62.983 63.200 -0.018 0.000 0.779 451 S HN 0.592 nan 8.310 nan 0.000 0.487 452 G N 1.061 109.865 108.800 0.007 0.000 2.160 452 G HA2 -0.267 3.696 3.960 0.006 0.000 0.251 452 G HA3 -0.267 3.696 3.960 0.006 0.000 0.251 452 G C -0.221 174.679 174.900 0.001 0.000 1.008 452 G CA 0.515 45.617 45.100 0.003 0.000 0.724 452 G HN 0.707 nan 8.290 nan 0.000 0.514 453 E N 0.108 120.307 120.200 -0.001 0.000 2.250 453 E HA 0.699 5.053 4.350 0.006 0.000 0.269 453 E C 0.646 177.246 176.600 0.002 0.000 1.018 453 E CA -0.350 56.050 56.400 -0.001 0.000 0.873 453 E CB 1.085 30.782 29.700 -0.005 0.000 1.134 453 E HN 0.703 nan 8.360 nan 0.000 0.403 454 A N 2.843 125.664 122.820 0.001 0.000 2.454 454 A HA 0.297 4.621 4.320 0.006 0.000 0.260 454 A C 0.143 177.728 177.584 0.002 0.000 1.106 454 A CA -0.276 51.763 52.037 0.003 0.000 0.780 454 A CB 0.798 19.799 19.000 0.003 0.000 1.044 454 A HN 0.464 nan 8.150 nan 0.000 0.498 455 V N 1.834 121.751 119.914 0.005 0.000 3.309 455 V HA 0.289 4.412 4.120 0.006 0.000 0.268 455 V C 0.881 176.976 176.094 0.001 0.000 1.631 455 V CA 0.869 63.168 62.300 -0.002 0.000 1.018 455 V CB 0.241 32.061 31.823 -0.006 0.000 0.841 455 V HN 1.071 nan 8.190 nan 0.000 0.418 456 A N -0.063 122.763 122.820 0.009 0.000 2.260 456 A HA 0.577 4.901 4.320 0.006 0.000 0.314 456 A C 0.939 178.521 177.584 -0.003 0.000 1.257 456 A CA -0.006 52.037 52.037 0.009 0.000 0.871 456 A CB 1.514 20.523 19.000 0.015 0.000 1.166 456 A HN 0.033 nan 8.150 nan 0.000 0.522 457 V N 3.215 123.136 119.914 0.011 0.000 2.490 457 V HA -0.202 3.922 4.120 0.006 0.000 0.250 457 V C 2.151 178.205 176.094 -0.067 0.000 1.061 457 V CA 2.038 64.347 62.300 0.014 0.000 1.064 457 V CB -0.570 31.320 31.823 0.111 0.000 0.670 457 V HN 0.856 nan 8.190 nan 0.000 0.461 458 L N -0.388 120.734 121.223 -0.169 0.000 2.633 458 L HA -0.061 4.283 4.340 0.006 0.000 0.235 458 L C 1.819 178.617 176.870 -0.120 0.000 1.163 458 L CA 1.001 55.701 54.840 -0.234 0.000 0.859 458 L CB -0.306 41.536 42.059 -0.361 0.000 0.973 458 L HN 0.423 nan 8.230 nan 0.000 0.451 459 E N -1.228 118.932 120.200 -0.068 0.000 2.526 459 E HA 0.113 4.466 4.350 0.006 0.000 0.208 459 E C -0.062 176.522 176.600 -0.026 0.000 0.997 459 E CA -0.208 56.166 56.400 -0.042 0.000 0.961 459 E CB 0.964 30.648 29.700 -0.026 0.000 1.030 459 E HN 0.106 nan 8.360 nan 0.000 0.483 460 V N 3.193 123.093 119.914 -0.023 0.000 2.508 460 V HA 0.091 4.215 4.120 0.006 0.000 0.281 460 V C 0.296 176.385 176.094 -0.009 0.000 1.041 460 V CA 0.132 62.426 62.300 -0.009 0.000 1.016 460 V CB 0.659 32.481 31.823 -0.000 0.000 0.984 460 V HN 0.208 nan 8.190 nan 0.000 0.478 461 M N 5.472 125.070 119.600 -0.004 0.000 2.409 461 M HA 0.522 5.005 4.480 0.006 0.000 0.329 461 M C -1.646 174.657 176.300 0.005 0.000 1.180 461 M CA -1.974 53.325 55.300 -0.001 0.000 1.053 461 M CB 0.191 32.791 32.600 -0.001 0.000 1.586 461 M HN 0.440 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 63.107 63.100 0.012 0.000 0.800 462 P CB 0.000 31.709 31.700 0.016 0.000 0.726