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 1y5n_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKIRSQVGMV LNLDKCIGCH TCSVTCKNVW TSREGVEYAW FNNVETKPGQ DATA SEQUENCE GFPTDWENQE KYKGGWIRKI NGKLQPRMGN RAMLLGKIFA NPHLPGIDDY DATA SEQUENCE YEPFDFDYQN LHTAPEGSKS QPIARPRSLI TGERMAKIEK GPNWEDDLGG DATA SEQUENCE EFDKLAKDKN FDNIQKAMYS QFENTFMMYL PRLCEHCLNP ACVATCPSGA DATA SEQUENCE IYKREEDGIV LIDQDKCRGW RMCITGCPYK KIYFNWKSGK SEKCIFCYPR DATA SEQUENCE IEAGQPTVCS ETCVGRIRYL GVLLYDADAI ERAASTENEK DLYQRQLDVF DATA SEQUENCE LDPNDPKVIE QAIKDGIPLS VIEAAQQSPV YKMAMEWKLA LPLHPEYRTL DATA SEQUENCE PMVWYVPPLS PIQSAADAGE LGSNGILPDV ESLRIPVQYL ANLLTAGDTK DATA SEQUENCE PVLRALKRML AMRHYKRAET VDGKVDTRAL EEVGLTEAQA QEMYRYLAIA DATA SEQUENCE NYEDRFVVPS SHRELAREAF PEKNGCGFTF GDGCHGSDTK FNLFNSRRID DATA SEQUENCE AIDVTSKTE 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 0.000 176.278 176.300 -0.036 0.000 1.140 1 M CA 0.000 55.287 55.300 -0.022 0.000 0.988 1 M CB 0.000 32.587 32.600 -0.021 0.000 1.302 2 K N 5.125 125.496 120.400 -0.049 0.000 2.559 2 K HA 0.609 4.929 4.320 0.000 0.000 0.249 2 K C -0.934 175.586 176.600 -0.133 0.000 0.958 2 K CA -0.546 55.696 56.287 -0.074 0.000 0.901 2 K CB 1.767 34.231 32.500 -0.059 0.000 1.124 2 K HN 0.652 nan 8.250 nan 0.000 0.437 3 I N 3.285 123.771 120.570 -0.140 0.000 2.474 3 I HA 0.235 4.405 4.170 0.000 0.000 0.287 3 I C 0.323 176.274 176.117 -0.276 0.000 1.048 3 I CA -0.093 61.086 61.300 -0.202 0.000 1.383 3 I CB 0.699 38.619 38.000 -0.132 0.000 1.412 3 I HN 0.395 nan 8.210 nan 0.000 0.531 4 R N 3.412 123.618 120.500 -0.490 0.000 2.808 4 R HA 0.522 4.862 4.340 0.000 0.000 0.272 4 R C -1.009 175.062 176.300 -0.382 0.000 0.995 4 R CA -0.722 55.092 56.100 -0.477 0.000 0.917 4 R CB 2.472 32.382 30.300 -0.651 0.000 1.217 4 R HN 0.751 nan 8.270 nan 0.000 0.471 5 S N 0.577 116.204 115.700 -0.122 0.000 2.578 5 S HA 0.574 5.044 4.470 0.000 0.000 0.301 5 S C -0.731 173.930 174.600 0.102 0.000 1.091 5 S CA -0.787 57.412 58.200 -0.001 0.000 1.032 5 S CB 2.374 65.562 63.200 -0.020 0.000 1.064 5 S HN 0.621 nan 8.310 nan 0.000 0.508 6 Q N 0.752 120.595 119.800 0.072 0.000 2.438 6 Q HA 0.462 4.802 4.340 0.000 0.000 0.272 6 Q C -2.241 173.705 176.000 -0.091 0.000 0.994 6 Q CA -0.754 55.044 55.803 -0.008 0.000 0.887 6 Q CB 1.981 30.719 28.738 -0.000 0.000 1.432 6 Q HN 0.661 nan 8.270 nan 0.000 0.392 7 V N 3.276 123.110 119.914 -0.133 0.000 2.353 7 V HA 0.517 4.637 4.120 0.000 0.000 0.264 7 V C 0.724 176.723 176.094 -0.159 0.000 1.049 7 V CA 0.263 62.516 62.300 -0.079 0.000 0.896 7 V CB 0.580 32.441 31.823 0.063 0.000 1.025 7 V HN 0.771 nan 8.190 nan 0.000 0.475 8 G N 4.244 112.959 108.800 -0.141 0.000 2.580 8 G HA2 0.614 4.574 3.960 0.000 0.000 0.278 8 G HA3 0.614 4.574 3.960 0.000 0.000 0.278 8 G C -0.665 174.246 174.900 0.018 0.000 1.212 8 G CA -0.590 44.420 45.100 -0.149 0.000 0.939 8 G HN 0.607 nan 8.290 nan 0.000 0.513 9 M N 0.293 119.924 119.600 0.051 0.000 2.386 9 M HA 0.587 5.067 4.480 0.000 0.000 0.293 9 M C -1.734 174.612 176.300 0.077 0.000 1.120 9 M CA -0.664 54.719 55.300 0.137 0.000 0.909 9 M CB 2.367 35.108 32.600 0.234 0.000 1.661 9 M HN 0.270 nan 8.290 nan 0.000 0.452 10 V N 5.438 125.424 119.914 0.120 0.000 2.531 10 V HA 0.510 4.630 4.120 0.000 0.000 0.301 10 V C -1.175 175.012 176.094 0.156 0.000 1.034 10 V CA -0.665 61.696 62.300 0.102 0.000 0.865 10 V CB 1.926 33.806 31.823 0.095 0.000 0.995 10 V HN 0.739 nan 8.190 nan 0.000 0.424 11 L N 4.370 125.604 121.223 0.017 0.000 2.305 11 L HA 0.509 4.849 4.340 0.000 0.000 0.284 11 L C 0.344 177.330 176.870 0.194 0.000 1.013 11 L CA -0.223 54.683 54.840 0.109 0.000 0.819 11 L CB 1.230 43.298 42.059 0.015 0.000 1.227 11 L HN 0.504 nan 8.230 nan 0.000 0.417 12 N N 3.502 122.358 118.700 0.259 0.000 2.508 12 N HA 0.125 4.865 4.740 0.000 0.000 0.253 12 N C 0.879 176.520 175.510 0.219 0.000 1.145 12 N CA 0.130 53.316 53.050 0.226 0.000 0.973 12 N CB 0.474 39.109 38.487 0.247 0.000 1.305 12 N HN 0.664 nan 8.380 nan 0.000 0.506 13 L N 1.239 122.606 121.223 0.240 0.000 2.349 13 L HA -0.173 4.167 4.340 0.000 0.000 0.220 13 L C 1.496 178.473 176.870 0.178 0.000 1.130 13 L CA 0.960 55.940 54.840 0.233 0.000 0.791 13 L CB -0.206 41.993 42.059 0.233 0.000 0.918 13 L HN 0.466 nan 8.230 nan 0.000 0.444 14 D N 0.372 120.861 120.400 0.148 0.000 2.178 14 D HA -0.168 4.472 4.640 0.000 0.000 0.202 14 D C 1.974 178.349 176.300 0.125 0.000 0.974 14 D CA 1.212 55.283 54.000 0.118 0.000 0.841 14 D CB 0.223 41.081 40.800 0.096 0.000 0.953 14 D HN 0.158 nan 8.370 nan 0.000 0.478 15 K N -0.758 119.725 120.400 0.138 0.000 2.367 15 K HA 0.136 4.456 4.320 0.000 0.000 0.194 15 K C 0.108 176.787 176.600 0.130 0.000 1.027 15 K CA -0.279 56.083 56.287 0.126 0.000 1.075 15 K CB 0.334 32.907 32.500 0.123 0.000 0.845 15 K HN 0.123 nan 8.250 nan 0.000 0.529 16 C N 2.496 121.892 119.300 0.160 0.000 2.648 16 C HA 0.128 4.588 4.460 0.000 0.000 0.415 16 C C 1.514 176.602 174.990 0.163 0.000 1.366 16 C CA -0.651 58.460 59.018 0.154 0.000 1.756 16 C CB -0.970 26.889 27.740 0.197 0.000 2.549 16 C HN 0.503 nan 8.230 nan 0.000 0.597 17 I N 3.975 124.579 120.570 0.058 0.000 3.884 17 I HA 0.335 4.505 4.170 0.000 0.000 0.330 17 I C 1.407 177.375 176.117 -0.248 0.000 1.451 17 I CA 0.339 61.650 61.300 0.018 0.000 1.165 17 I CB -0.884 37.130 38.000 0.022 0.000 1.097 17 I HN 0.839 nan 8.210 nan 0.000 0.404 18 G N 2.486 110.924 108.800 -0.603 0.000 2.390 18 G HA2 -0.353 3.607 3.960 0.000 0.000 0.299 18 G HA3 -0.353 3.607 3.960 0.000 0.000 0.299 18 G C 0.852 175.482 174.900 -0.450 0.000 1.002 18 G CA 0.617 44.981 45.100 -1.227 0.000 0.979 18 G HN 0.879 nan 8.290 nan 0.000 0.513 19 C N -3.603 115.581 119.300 -0.193 0.000 2.512 19 C HA 0.351 4.811 4.460 0.000 0.000 0.276 19 C C 1.731 176.815 174.990 0.156 0.000 1.368 19 C CA 1.037 60.053 59.018 -0.004 0.000 1.755 19 C CB -0.556 27.177 27.740 -0.011 0.000 2.008 19 C HN 0.893 nan 8.230 nan 0.000 0.511 20 H N -0.255 118.772 119.070 -0.073 0.000 3.642 20 H HA -0.186 4.370 4.556 0.000 0.000 0.185 20 H C 1.455 176.796 175.328 0.023 0.000 0.992 20 H CA 1.312 57.348 56.048 -0.021 0.000 1.216 20 H CB -2.144 27.589 29.762 -0.047 0.000 1.055 20 H HN 0.582 nan 8.280 nan 0.000 0.351 21 T N 0.583 115.197 114.554 0.099 0.000 2.653 21 T HA -0.284 4.066 4.350 0.000 0.000 0.268 21 T C 2.377 177.124 174.700 0.079 0.000 1.035 21 T CA 2.288 64.434 62.100 0.076 0.000 1.154 21 T CB -0.806 68.088 68.868 0.045 0.000 0.862 21 T HN 0.780 nan 8.240 nan 0.000 0.441 22 C N 1.582 120.923 119.300 0.069 0.000 2.401 22 C HA -0.092 4.368 4.460 0.000 0.000 0.276 22 C C 2.961 178.023 174.990 0.120 0.000 1.233 22 C CA 0.750 59.813 59.018 0.076 0.000 1.753 22 C CB -1.621 26.159 27.740 0.067 0.000 2.029 22 C HN 0.412 nan 8.230 nan 0.000 0.478 23 S N 1.179 116.981 115.700 0.169 0.000 2.368 23 S HA -0.067 4.403 4.470 0.000 0.000 0.224 23 S C 1.993 176.765 174.600 0.288 0.000 1.029 23 S CA 1.526 59.899 58.200 0.288 0.000 0.988 23 S CB -0.373 63.054 63.200 0.379 0.000 0.838 23 S HN 0.609 nan 8.310 nan 0.000 0.462 24 V N 2.404 122.457 119.914 0.232 0.000 2.307 24 V HA -0.172 3.948 4.120 0.000 0.000 0.245 24 V C 2.901 179.014 176.094 0.031 0.000 1.045 24 V CA 2.068 64.461 62.300 0.155 0.000 1.024 24 V CB -1.585 30.311 31.823 0.122 0.000 0.651 24 V HN 0.739 nan 8.190 nan 0.000 0.449 25 T N -2.476 112.093 114.554 0.025 0.000 2.788 25 T HA -0.292 4.058 4.350 0.000 0.000 0.268 25 T C 2.000 176.667 174.700 -0.055 0.000 1.044 25 T CA 1.672 63.754 62.100 -0.031 0.000 1.139 25 T CB -1.147 67.710 68.868 -0.018 0.000 0.867 25 T HN 0.480 nan 8.240 nan 0.000 0.454 26 C N 1.647 120.959 119.300 0.021 0.000 2.432 26 C HA 0.059 4.519 4.460 0.000 0.000 0.277 26 C C 2.800 177.742 174.990 -0.081 0.000 1.249 26 C CA 1.447 60.516 59.018 0.085 0.000 1.725 26 C CB -1.057 26.789 27.740 0.177 0.000 2.028 26 C HN 0.662 nan 8.230 nan 0.000 0.477 27 K N 1.624 121.906 120.400 -0.197 0.000 2.063 27 K HA -0.116 4.205 4.320 0.000 0.000 0.208 27 K C 1.801 178.193 176.600 -0.347 0.000 1.048 27 K CA 2.126 58.158 56.287 -0.425 0.000 0.928 27 K CB -0.711 31.420 32.500 -0.614 0.000 0.713 27 K HN 0.529 nan 8.250 nan 0.000 0.442 28 N N 0.021 118.568 118.700 -0.255 0.000 2.069 28 N HA -0.138 4.602 4.740 0.000 0.000 0.191 28 N C 1.767 177.079 175.510 -0.330 0.000 1.031 28 N CA 1.769 54.670 53.050 -0.247 0.000 0.852 28 N CB -0.395 37.977 38.487 -0.191 0.000 1.018 28 N HN 0.076 nan 8.380 nan 0.000 0.423 29 V N -0.768 118.884 119.914 -0.436 0.000 2.283 29 V HA -0.138 3.982 4.120 0.000 0.000 0.243 29 V C 1.693 177.297 176.094 -0.817 0.000 1.039 29 V CA 1.415 63.269 62.300 -0.743 0.000 1.016 29 V CB -0.522 30.626 31.823 -1.125 0.000 0.650 29 V HN 0.360 nan 8.190 nan 0.000 0.449 30 W N 0.095 121.264 121.300 -0.219 0.000 2.735 30 W HA 0.107 4.767 4.660 0.000 0.000 0.264 30 W C 1.637 177.929 176.519 -0.378 0.000 1.233 30 W CA 0.864 58.068 57.345 -0.234 0.000 1.408 30 W CB -0.123 29.266 29.460 -0.119 0.000 1.038 30 W HN 0.258 nan 8.180 nan 0.000 0.603 31 T N -4.254 110.090 114.554 -0.349 0.000 3.355 31 T HA 0.272 4.622 4.350 0.000 0.000 0.276 31 T C 0.643 175.077 174.700 -0.443 0.000 1.003 31 T CA -0.282 61.511 62.100 -0.512 0.000 0.943 31 T CB 0.101 68.430 68.868 -0.897 0.000 1.158 31 T HN -0.217 nan 8.240 nan 0.000 0.513 32 S N 1.253 116.756 115.700 -0.328 0.000 2.593 32 S HA 0.217 4.687 4.470 0.000 0.000 0.217 32 S C 0.978 175.448 174.600 -0.217 0.000 0.966 32 S CA -0.464 57.573 58.200 -0.272 0.000 0.914 32 S CB 0.040 63.102 63.200 -0.230 0.000 0.776 32 S HN 0.551 nan 8.310 nan 0.000 0.523 33 R N 2.126 122.489 120.500 -0.228 0.000 2.679 33 R HA 0.218 4.558 4.340 0.000 0.000 0.269 33 R C 0.371 176.532 176.300 -0.232 0.000 1.076 33 R CA -0.226 55.750 56.100 -0.208 0.000 1.160 33 R CB 0.476 30.651 30.300 -0.209 0.000 1.054 33 R HN 0.296 nan 8.270 nan 0.000 0.507 34 E N 0.484 120.546 120.200 -0.231 0.000 2.324 34 E HA 0.124 4.474 4.350 0.000 0.000 0.271 34 E C 0.400 176.638 176.600 -0.605 0.000 1.028 34 E CA 0.676 56.906 56.400 -0.284 0.000 0.890 34 E CB 0.458 30.032 29.700 -0.209 0.000 1.004 34 E HN 0.744 nan 8.360 nan 0.000 0.431 35 G N 2.655 110.932 108.800 -0.872 0.000 2.391 35 G HA2 -0.275 3.685 3.960 0.000 0.000 0.204 35 G HA3 -0.275 3.685 3.960 0.000 0.000 0.204 35 G C 0.517 175.069 174.900 -0.580 0.000 1.012 35 G CA 0.071 44.319 45.100 -1.421 0.000 0.651 35 G HN 1.044 nan 8.290 nan 0.000 0.494 36 V N -0.735 118.970 119.914 -0.348 0.000 3.111 36 V HA 0.491 4.612 4.120 0.000 0.000 0.343 36 V C 1.561 177.410 176.094 -0.407 0.000 1.417 36 V CA 0.978 63.065 62.300 -0.355 0.000 1.142 36 V CB 0.688 32.282 31.823 -0.382 0.000 1.114 36 V HN 0.455 nan 8.190 nan 0.000 0.520 37 E N 1.877 121.976 120.200 -0.169 0.000 2.409 37 E HA -0.210 4.141 4.350 0.000 0.000 0.198 37 E C 1.596 178.147 176.600 -0.082 0.000 1.024 37 E CA 1.657 57.963 56.400 -0.157 0.000 0.861 37 E CB -0.470 29.225 29.700 -0.009 0.000 0.788 37 E HN 0.916 nan 8.360 nan 0.000 0.521 38 Y N 0.038 120.304 120.300 -0.057 0.000 2.458 38 Y HA 0.610 5.160 4.550 0.000 0.000 0.254 38 Y C 0.966 177.009 175.900 0.239 0.000 1.120 38 Y CA -0.306 57.849 58.100 0.092 0.000 1.282 38 Y CB -0.018 38.356 38.460 -0.144 0.000 1.109 38 Y HN 0.041 nan 8.280 nan 0.000 0.526 39 A N 0.771 122.962 122.820 -1.047 0.000 2.401 39 A HA 0.374 4.694 4.320 0.000 0.000 0.259 39 A C -1.529 175.465 177.584 -0.984 0.000 1.103 39 A CA -0.297 51.019 52.037 -1.202 0.000 0.789 39 A CB -0.222 17.974 19.000 -1.339 0.000 1.035 39 A HN 0.541 nan 8.150 nan 0.000 0.491 40 W N 3.439 124.370 121.300 -0.614 0.000 2.433 40 W HA 0.428 5.088 4.660 0.000 0.000 0.288 40 W C 0.472 176.996 176.519 0.008 0.000 0.986 40 W CA -0.754 56.463 57.345 -0.214 0.000 1.680 40 W CB 0.074 29.526 29.460 -0.013 0.000 1.615 40 W HN 0.835 nan 8.180 nan 0.000 0.416 41 F N 0.992 120.883 119.950 -0.098 0.000 2.063 41 F HA -0.339 4.189 4.527 0.000 0.000 0.297 41 F C 1.464 177.380 175.800 0.194 0.000 1.099 41 F CA 1.126 59.170 58.000 0.073 0.000 1.220 41 F CB -0.231 38.777 39.000 0.013 0.000 0.972 41 F HN 0.151 nan 8.300 nan 0.000 0.487 42 N N 0.693 119.630 118.700 0.394 0.000 2.421 42 N HA 0.160 4.900 4.740 0.000 0.000 0.285 42 N C -1.235 174.491 175.510 0.359 0.000 1.027 42 N CA -0.623 52.618 53.050 0.318 0.000 0.918 42 N CB 0.661 39.293 38.487 0.242 0.000 1.152 42 N HN 0.142 nan 8.380 nan 0.000 0.485 43 N N 1.784 120.666 118.700 0.303 0.000 2.396 43 N HA 0.325 5.065 4.740 0.000 0.000 0.275 43 N C -1.892 173.705 175.510 0.146 0.000 1.218 43 N CA -0.588 52.611 53.050 0.249 0.000 0.812 43 N CB 1.490 40.172 38.487 0.326 0.000 1.592 43 N HN 0.158 nan 8.380 nan 0.000 0.480 44 V N 0.505 120.431 119.914 0.019 0.000 2.581 44 V HA 0.507 4.627 4.120 0.000 0.000 0.303 44 V C -0.174 175.992 176.094 0.119 0.000 1.041 44 V CA -0.629 61.637 62.300 -0.057 0.000 0.907 44 V CB 1.550 33.036 31.823 -0.562 0.000 0.994 44 V HN 0.700 nan 8.190 nan 0.000 0.442 45 E N 1.322 121.651 120.200 0.215 0.000 2.266 45 E HA 0.502 4.852 4.350 0.000 0.000 0.268 45 E C -1.115 175.673 176.600 0.313 0.000 0.879 45 E CA -0.729 55.845 56.400 0.290 0.000 0.762 45 E CB 2.293 32.203 29.700 0.350 0.000 1.199 45 E HN 0.619 nan 8.360 nan 0.000 0.422 46 T N 3.053 117.786 114.554 0.298 0.000 2.806 46 T HA 0.282 4.632 4.350 0.000 0.000 0.290 46 T C -0.215 174.558 174.700 0.122 0.000 0.966 46 T CA -0.665 61.571 62.100 0.227 0.000 1.060 46 T CB 0.570 69.561 68.868 0.205 0.000 0.927 46 T HN 0.061 nan 8.240 nan 0.000 0.485 47 K N 3.460 123.879 120.400 0.032 0.000 2.259 47 K HA 0.479 4.799 4.320 0.000 0.000 0.252 47 K C -2.741 173.748 176.600 -0.185 0.000 0.936 47 K CA -2.690 53.612 56.287 0.025 0.000 0.810 47 K CB 1.696 34.285 32.500 0.149 0.000 1.143 47 K HN 0.253 nan 8.250 nan 0.000 0.427 48 P HA 0.241 nan 4.420 nan 0.000 0.269 48 P C -0.297 177.025 177.300 0.038 0.000 1.209 48 P CA 0.055 63.104 63.100 -0.085 0.000 0.776 48 P CB 0.686 32.345 31.700 -0.069 0.000 0.876 49 G N 0.973 109.842 108.800 0.115 0.000 2.328 49 G HA2 0.109 4.069 3.960 0.000 0.000 0.295 49 G HA3 0.109 4.069 3.960 0.000 0.000 0.295 49 G C -0.676 174.314 174.900 0.150 0.000 1.413 49 G CA -0.508 44.672 45.100 0.134 0.000 0.817 49 G HN 0.363 nan 8.290 nan 0.000 0.546 50 Q N -0.378 119.522 119.800 0.166 0.000 2.282 50 Q HA 0.379 4.719 4.340 0.000 0.000 0.206 50 Q C 1.360 177.516 176.000 0.260 0.000 0.878 50 Q CA 0.373 56.266 55.803 0.149 0.000 0.944 50 Q CB 0.979 29.796 28.738 0.133 0.000 1.100 50 Q HN 1.702 nan 8.270 nan 0.000 0.509 51 G N 2.149 111.168 108.800 0.365 0.000 2.697 51 G HA2 -0.314 3.646 3.960 0.000 0.000 0.240 51 G HA3 -0.314 3.646 3.960 0.000 0.000 0.240 51 G C -0.923 174.338 174.900 0.601 0.000 1.346 51 G CA -0.229 45.210 45.100 0.566 0.000 0.887 51 G HN 0.317 nan 8.290 nan 0.000 0.569 52 F N 2.595 122.799 119.950 0.423 0.000 2.536 52 F HA 0.669 5.196 4.527 0.000 0.000 0.322 52 F C -2.020 173.936 175.800 0.260 0.000 1.144 52 F CA -2.033 56.169 58.000 0.336 0.000 0.924 52 F CB 2.282 41.470 39.000 0.312 0.000 1.181 52 F HN 0.541 nan 8.300 nan 0.000 0.438 53 P HA 0.083 nan 4.420 nan 0.000 0.274 53 P C -0.534 176.838 177.300 0.120 0.000 1.237 53 P CA -0.133 62.776 63.100 -0.320 0.000 0.793 53 P CB 0.708 31.886 31.700 -0.870 0.000 0.977 54 T N 2.060 116.720 114.554 0.177 0.000 2.800 54 T HA -0.078 4.272 4.350 0.000 0.000 0.283 54 T C 0.628 175.509 174.700 0.301 0.000 0.999 54 T CA 1.164 63.411 62.100 0.245 0.000 1.176 54 T CB -0.982 67.994 68.868 0.179 0.000 0.973 54 T HN 0.642 nan 8.240 nan 0.000 0.519 55 D N 1.516 122.062 120.400 0.245 0.000 2.800 55 D HA -0.144 4.496 4.640 0.000 0.000 0.232 55 D C 1.052 177.504 176.300 0.253 0.000 1.137 55 D CA 0.826 54.919 54.000 0.156 0.000 0.718 55 D CB -0.913 39.951 40.800 0.106 0.000 1.084 55 D HN 0.877 nan 8.370 nan 0.000 0.432 56 W N -0.208 121.157 121.300 0.109 0.000 2.387 56 W HA -0.079 4.582 4.660 0.000 0.000 0.272 56 W C 1.212 177.706 176.519 -0.041 0.000 1.224 56 W CA 0.955 58.230 57.345 -0.117 0.000 1.210 56 W CB -0.805 28.544 29.460 -0.186 0.000 1.125 56 W HN 0.237 nan 8.180 nan 0.000 0.572 57 E N 0.728 120.422 120.200 -0.843 0.000 2.482 57 E HA -0.118 4.232 4.350 0.000 0.000 0.196 57 E C 0.588 176.965 176.600 -0.371 0.000 1.047 57 E CA 0.097 55.983 56.400 -0.857 0.000 0.869 57 E CB -0.297 28.767 29.700 -1.060 0.000 0.836 57 E HN 0.002 nan 8.360 nan 0.000 0.520 58 N N 1.646 120.246 118.700 -0.167 0.000 2.663 58 N HA -0.032 4.708 4.740 0.000 0.000 0.250 58 N C 0.503 175.967 175.510 -0.077 0.000 1.129 58 N CA 0.084 53.070 53.050 -0.107 0.000 0.995 58 N CB 0.530 38.962 38.487 -0.093 0.000 1.324 58 N HN -0.007 nan 8.380 nan 0.000 0.512 59 Q N 1.213 120.926 119.800 -0.146 0.000 2.364 59 Q HA -0.072 4.268 4.340 0.000 0.000 0.207 59 Q C 0.859 176.771 176.000 -0.147 0.000 0.970 59 Q CA 0.871 56.572 55.803 -0.170 0.000 0.888 59 Q CB 0.247 28.837 28.738 -0.247 0.000 0.951 59 Q HN 0.527 nan 8.270 nan 0.000 0.469 60 E N 0.646 120.768 120.200 -0.130 0.000 2.150 60 E HA -0.126 4.224 4.350 0.000 0.000 0.193 60 E C 1.773 178.278 176.600 -0.159 0.000 0.985 60 E CA 1.091 57.415 56.400 -0.127 0.000 0.814 60 E CB 0.046 29.686 29.700 -0.099 0.000 0.752 60 E HN 0.367 nan 8.360 nan 0.000 0.466 61 K N -1.013 119.269 120.400 -0.196 0.000 2.078 61 K HA -0.031 4.289 4.320 0.000 0.000 0.203 61 K C 1.625 178.041 176.600 -0.305 0.000 1.043 61 K CA 0.708 56.823 56.287 -0.287 0.000 0.960 61 K CB -0.190 32.049 32.500 -0.436 0.000 0.761 61 K HN 0.148 nan 8.250 nan 0.000 0.448 62 Y N 1.039 121.250 120.300 -0.150 0.000 2.475 62 Y HA 0.091 4.641 4.550 0.000 0.000 0.289 62 Y C 0.103 175.856 175.900 -0.245 0.000 1.121 62 Y CA 0.124 58.132 58.100 -0.154 0.000 1.257 62 Y CB 0.616 39.003 38.460 -0.122 0.000 1.026 62 Y HN -0.012 nan 8.280 nan 0.000 0.555 63 K N -0.188 120.111 120.400 -0.167 0.000 3.251 63 K HA -0.134 4.186 4.320 0.000 0.000 0.282 63 K C 0.110 176.575 176.600 -0.225 0.000 1.201 63 K CA 0.730 56.852 56.287 -0.274 0.000 0.827 63 K CB -2.092 30.088 32.500 -0.532 0.000 1.286 63 K HN 0.473 nan 8.250 nan 0.000 0.503 64 G N -0.388 108.274 108.800 -0.230 0.000 2.528 64 G HA2 0.621 4.581 3.960 0.000 0.000 0.289 64 G HA3 0.621 4.581 3.960 0.000 0.000 0.289 64 G C 0.778 175.478 174.900 -0.333 0.000 1.192 64 G CA 0.761 45.691 45.100 -0.282 0.000 0.921 64 G HN 0.756 nan 8.290 nan 0.000 0.512 65 G N -1.018 107.599 108.800 -0.305 0.000 2.645 65 G HA2 -0.142 3.818 3.960 0.000 0.000 0.246 65 G HA3 -0.142 3.818 3.960 0.000 0.000 0.246 65 G C -0.395 174.381 174.900 -0.206 0.000 1.322 65 G CA 0.235 45.217 45.100 -0.196 0.000 0.898 65 G HN 0.869 nan 8.290 nan 0.000 0.573 66 W N -0.095 121.212 121.300 0.012 0.000 2.647 66 W HA 0.741 5.401 4.660 0.000 0.000 0.353 66 W C 0.819 177.346 176.519 0.013 0.000 1.080 66 W CA -0.476 56.879 57.345 0.017 0.000 1.208 66 W CB 1.067 30.553 29.460 0.042 0.000 1.396 66 W HN 0.665 nan 8.180 nan 0.000 0.573 67 I N -0.446 120.297 120.570 0.288 0.000 2.846 67 I HA 0.682 4.853 4.170 0.000 0.000 0.307 67 I C -0.676 175.532 176.117 0.153 0.000 1.053 67 I CA -1.639 59.758 61.300 0.161 0.000 1.050 67 I CB 2.272 40.324 38.000 0.087 0.000 1.239 67 I HN 0.452 nan 8.210 nan 0.000 0.439 68 R N 3.612 124.167 120.500 0.092 0.000 2.310 68 R HA 0.445 4.785 4.340 0.000 0.000 0.324 68 R C -0.621 175.707 176.300 0.046 0.000 0.955 68 R CA -0.568 55.568 56.100 0.060 0.000 0.830 68 R CB 1.259 31.580 30.300 0.034 0.000 1.154 68 R HN 0.717 nan 8.270 nan 0.000 0.458 69 K N 2.687 123.114 120.400 0.045 0.000 2.143 69 K HA 0.074 4.394 4.320 0.000 0.000 0.239 69 K C 1.326 177.939 176.600 0.021 0.000 1.048 69 K CA 0.010 56.317 56.287 0.033 0.000 0.867 69 K CB 0.486 33.006 32.500 0.034 0.000 1.088 69 K HN 0.539 nan 8.250 nan 0.000 0.510 70 I N 1.090 121.670 120.570 0.016 0.000 2.394 70 I HA -0.234 3.936 4.170 0.000 0.000 0.251 70 I C 1.449 177.571 176.117 0.009 0.000 1.136 70 I CA 0.850 62.157 61.300 0.011 0.000 1.425 70 I CB -0.485 37.520 38.000 0.009 0.000 1.079 70 I HN 0.593 nan 8.210 nan 0.000 0.425 71 N N 1.592 120.297 118.700 0.010 0.000 2.515 71 N HA -0.016 4.724 4.740 0.000 0.000 0.191 71 N C 1.376 176.889 175.510 0.005 0.000 1.182 71 N CA 0.951 54.005 53.050 0.007 0.000 0.879 71 N CB -0.096 38.396 38.487 0.009 0.000 0.984 71 N HN 0.411 nan 8.380 nan 0.000 0.453 72 G N -0.569 108.234 108.800 0.005 0.000 2.205 72 G HA2 -0.288 3.673 3.960 0.000 0.000 0.261 72 G HA3 -0.288 3.673 3.960 0.000 0.000 0.261 72 G C -0.046 174.852 174.900 -0.004 0.000 0.980 72 G CA 0.241 45.341 45.100 -0.001 0.000 0.632 72 G HN 0.374 nan 8.290 nan 0.000 0.533 73 K N -0.047 120.357 120.400 0.006 0.000 2.154 73 K HA 0.554 4.874 4.320 0.000 0.000 0.264 73 K C 0.214 176.827 176.600 0.023 0.000 1.008 73 K CA -0.800 55.491 56.287 0.007 0.000 0.937 73 K CB 1.321 33.832 32.500 0.019 0.000 1.002 73 K HN 0.115 nan 8.250 nan 0.000 0.469 74 L N 2.152 123.379 121.223 0.006 0.000 2.326 74 L HA 0.252 4.592 4.340 0.000 0.000 0.278 74 L C 0.091 177.101 176.870 0.233 0.000 1.092 74 L CA 0.460 55.322 54.840 0.036 0.000 0.810 74 L CB 0.675 42.596 42.059 -0.230 0.000 1.153 74 L HN 0.556 nan 8.230 nan 0.000 0.439 75 Q N 4.972 125.014 119.800 0.403 0.000 2.309 75 Q HA 0.469 4.809 4.340 0.000 0.000 0.273 75 Q C -2.722 173.479 176.000 0.335 0.000 1.040 75 Q CA -1.832 54.199 55.803 0.381 0.000 0.834 75 Q CB 2.789 31.629 28.738 0.170 0.000 1.345 75 Q HN 0.299 nan 8.270 nan 0.000 0.414 76 P HA 0.045 nan 4.420 nan 0.000 0.267 76 P C -0.147 177.074 177.300 -0.132 0.000 1.205 76 P CA 0.141 63.050 63.100 -0.319 0.000 0.765 76 P CB 0.514 31.944 31.700 -0.450 0.000 0.828 77 R N 3.648 124.067 120.500 -0.136 0.000 2.170 77 R HA -0.161 4.179 4.340 0.000 0.000 0.242 77 R C 1.617 177.846 176.300 -0.118 0.000 1.145 77 R CA 1.638 57.678 56.100 -0.099 0.000 0.984 77 R CB -0.325 29.900 30.300 -0.125 0.000 0.869 77 R HN 0.479 nan 8.270 nan 0.000 0.455 78 M N -0.567 118.949 119.600 -0.140 0.000 2.213 78 M HA -0.003 4.477 4.480 0.000 0.000 0.263 78 M C 0.808 177.086 176.300 -0.036 0.000 1.062 78 M CA 1.321 56.568 55.300 -0.088 0.000 1.105 78 M CB 0.190 32.744 32.600 -0.077 0.000 1.385 78 M HN 0.423 nan 8.290 nan 0.000 0.417 79 G N 0.190 108.960 108.800 -0.051 0.000 2.339 79 G HA2 -0.048 3.912 3.960 0.000 0.000 0.381 79 G HA3 -0.048 3.912 3.960 0.000 0.000 0.381 79 G C -1.282 173.602 174.900 -0.027 0.000 1.400 79 G CA -0.727 44.358 45.100 -0.025 0.000 1.002 79 G HN 0.455 nan 8.290 nan 0.000 0.633 80 N N -0.356 118.339 118.700 -0.008 0.000 2.263 80 N HA 0.318 5.058 4.740 0.000 0.000 0.239 80 N C 1.544 177.044 175.510 -0.018 0.000 1.317 80 N CA 0.244 53.295 53.050 0.002 0.000 0.909 80 N CB 0.423 38.917 38.487 0.012 0.000 1.171 80 N HN 0.746 nan 8.380 nan 0.000 0.492 81 R N -0.992 119.501 120.500 -0.011 0.000 2.113 81 R HA -0.211 4.129 4.340 0.000 0.000 0.244 81 R C 2.049 178.318 176.300 -0.053 0.000 1.142 81 R CA 2.101 58.183 56.100 -0.029 0.000 0.953 81 R CB -0.974 29.317 30.300 -0.016 0.000 0.860 81 R HN 0.733 nan 8.270 nan 0.000 0.438 82 A N 1.000 123.794 122.820 -0.044 0.000 1.873 82 A HA -0.154 4.166 4.320 0.000 0.000 0.215 82 A C 2.236 179.779 177.584 -0.068 0.000 1.186 82 A CA 1.421 53.423 52.037 -0.058 0.000 0.616 82 A CB -0.452 18.524 19.000 -0.040 0.000 0.823 82 A HN 0.199 nan 8.150 nan 0.000 0.442 83 M N -0.914 118.656 119.600 -0.049 0.000 2.108 83 M HA -0.152 4.328 4.480 0.000 0.000 0.261 83 M C 2.287 178.547 176.300 -0.067 0.000 1.066 83 M CA 1.766 57.038 55.300 -0.047 0.000 1.107 83 M CB -0.460 32.125 32.600 -0.025 0.000 1.356 83 M HN 0.523 nan 8.290 nan 0.000 0.406 84 L N 0.071 121.251 121.223 -0.072 0.000 2.046 84 L HA -0.221 4.119 4.340 0.000 0.000 0.208 84 L C 2.242 179.027 176.870 -0.142 0.000 1.077 84 L CA 1.052 55.840 54.840 -0.087 0.000 0.747 84 L CB -0.128 41.883 42.059 -0.081 0.000 0.896 84 L HN 0.210 nan 8.230 nan 0.000 0.432 85 L N 0.040 121.163 121.223 -0.165 0.000 2.083 85 L HA -0.089 4.251 4.340 0.000 0.000 0.209 85 L C 2.498 179.186 176.870 -0.303 0.000 1.083 85 L CA 1.952 56.642 54.840 -0.249 0.000 0.752 85 L CB -1.478 40.452 42.059 -0.215 0.000 0.899 85 L HN 0.307 nan 8.230 nan 0.000 0.433 86 G N -1.320 107.351 108.800 -0.215 0.000 2.498 86 G HA2 -0.212 3.748 3.960 0.000 0.000 0.219 86 G HA3 -0.212 3.748 3.960 0.000 0.000 0.219 86 G C 1.495 176.260 174.900 -0.225 0.000 1.119 86 G CA 0.355 45.330 45.100 -0.209 0.000 0.766 86 G HN 0.381 nan 8.290 nan 0.000 0.552 87 K N -0.394 119.880 120.400 -0.209 0.000 2.387 87 K HA 0.334 4.654 4.320 0.000 0.000 0.198 87 K C 1.700 178.178 176.600 -0.203 0.000 1.022 87 K CA -0.374 55.809 56.287 -0.173 0.000 1.128 87 K CB 0.342 32.766 32.500 -0.127 0.000 0.853 87 K HN 0.301 nan 8.250 nan 0.000 0.523 88 I N 0.474 120.834 120.570 -0.350 0.000 2.394 88 I HA -0.220 3.950 4.170 0.000 0.000 0.251 88 I C 1.053 177.052 176.117 -0.197 0.000 1.136 88 I CA 1.163 62.261 61.300 -0.335 0.000 1.425 88 I CB 0.139 37.821 38.000 -0.529 0.000 1.079 88 I HN 0.024 nan 8.210 nan 0.000 0.425 89 F N 1.651 121.581 119.950 -0.032 0.000 2.451 89 F HA 0.192 4.719 4.527 0.000 0.000 0.299 89 F C 1.033 176.831 175.800 -0.003 0.000 1.101 89 F CA 0.401 58.399 58.000 -0.003 0.000 1.436 89 F CB -0.689 38.303 39.000 -0.014 0.000 1.074 89 F HN 0.069 nan 8.300 nan 0.000 0.553 90 A N 0.100 122.983 122.820 0.106 0.000 2.512 90 A HA 0.244 4.564 4.320 0.000 0.000 0.290 90 A C -0.751 176.810 177.584 -0.038 0.000 1.041 90 A CA -0.850 51.210 52.037 0.038 0.000 0.911 90 A CB 0.057 19.082 19.000 0.043 0.000 1.407 90 A HN -0.040 nan 8.150 nan 0.000 0.398 91 N N 4.674 123.344 118.700 -0.049 0.000 2.406 91 N HA 0.121 4.861 4.740 0.000 0.000 0.274 91 N C -1.173 174.255 175.510 -0.136 0.000 1.249 91 N CA -1.213 51.787 53.050 -0.083 0.000 0.951 91 N CB 1.065 39.528 38.487 -0.040 0.000 1.241 91 N HN 0.453 nan 8.380 nan 0.000 0.485 92 P HA -0.085 nan 4.420 nan 0.000 0.230 92 P C 0.171 177.262 177.300 -0.348 0.000 1.158 92 P CA 1.216 64.102 63.100 -0.356 0.000 0.769 92 P CB 0.295 31.695 31.700 -0.500 0.000 0.807 93 H N -1.513 117.550 119.070 -0.012 0.000 2.885 93 H HA 0.182 4.738 4.556 0.000 0.000 0.260 93 H C 1.013 176.371 175.328 0.051 0.000 0.985 93 H CA -0.822 55.229 56.048 0.005 0.000 1.210 93 H CB -0.317 29.448 29.762 0.004 0.000 1.466 93 H HN 0.078 nan 8.280 nan 0.000 0.493 94 L N 5.712 127.004 121.223 0.114 0.000 2.678 94 L HA 0.010 4.350 4.340 0.000 0.000 0.285 94 L C -1.980 174.960 176.870 0.117 0.000 1.233 94 L CA -0.772 54.121 54.840 0.089 0.000 0.920 94 L CB 0.273 42.339 42.059 0.013 0.000 1.176 94 L HN -0.026 nan 8.230 nan 0.000 0.495 95 P HA 0.266 nan 4.420 nan 0.000 0.280 95 P C -0.363 177.009 177.300 0.119 0.000 1.244 95 P CA -0.407 62.776 63.100 0.138 0.000 0.784 95 P CB 1.139 32.835 31.700 -0.007 0.000 0.913 96 G N 1.879 110.728 108.800 0.080 0.000 2.451 96 G HA2 0.216 4.176 3.960 0.000 0.000 0.303 96 G HA3 0.216 4.176 3.960 0.000 0.000 0.303 96 G C 0.889 175.883 174.900 0.156 0.000 1.166 96 G CA -0.675 44.481 45.100 0.093 0.000 0.884 96 G HN 0.442 nan 8.290 nan 0.000 0.514 97 I N 0.358 121.005 120.570 0.129 0.000 2.229 97 I HA -0.234 3.936 4.170 0.000 0.000 0.250 97 I C 1.946 178.152 176.117 0.148 0.000 1.096 97 I CA 1.761 63.117 61.300 0.093 0.000 1.358 97 I CB 0.037 37.943 38.000 -0.157 0.000 1.047 97 I HN 0.463 nan 8.210 nan 0.000 0.422 98 D N 0.435 120.879 120.400 0.073 0.000 2.218 98 D HA -0.159 4.481 4.640 0.000 0.000 0.204 98 D C 1.749 178.105 176.300 0.092 0.000 0.976 98 D CA 1.148 55.189 54.000 0.068 0.000 0.853 98 D CB -0.355 40.458 40.800 0.023 0.000 0.939 98 D HN 0.441 nan 8.370 nan 0.000 0.481 99 D N -0.825 119.600 120.400 0.040 0.000 2.264 99 D HA -0.108 4.532 4.640 0.000 0.000 0.208 99 D C 1.466 177.730 176.300 -0.060 0.000 0.966 99 D CA 0.700 54.672 54.000 -0.048 0.000 0.864 99 D CB 0.039 40.746 40.800 -0.154 0.000 0.933 99 D HN 0.350 nan 8.370 nan 0.000 0.499 100 Y N -0.587 119.860 120.300 0.245 0.000 2.304 100 Y HA 0.131 4.681 4.550 0.000 0.000 0.265 100 Y C 0.344 176.670 175.900 0.711 0.000 1.074 100 Y CA 0.129 58.544 58.100 0.525 0.000 1.102 100 Y CB 0.044 38.835 38.460 0.551 0.000 1.037 100 Y HN -0.078 nan 8.280 nan 0.000 0.484 101 Y N -2.264 118.361 120.300 0.542 0.000 2.673 101 Y HA 0.239 4.789 4.550 0.000 0.000 0.357 101 Y C -1.327 174.731 175.900 0.263 0.000 1.211 101 Y CA -1.780 56.510 58.100 0.317 0.000 1.307 101 Y CB 0.329 38.982 38.460 0.322 0.000 1.384 101 Y HN 0.112 nan 8.280 nan 0.000 0.499 102 E N 6.048 126.336 120.200 0.147 0.000 2.180 102 E HA 0.304 4.654 4.350 0.000 0.000 0.283 102 E C -2.326 174.346 176.600 0.120 0.000 1.061 102 E CA -2.264 54.142 56.400 0.010 0.000 0.861 102 E CB 0.884 30.608 29.700 0.042 0.000 1.056 102 E HN 0.450 nan 8.360 nan 0.000 0.407 103 P HA -0.015 nan 4.420 nan 0.000 0.265 103 P C -0.991 176.385 177.300 0.126 0.000 1.193 103 P CA 0.398 63.487 63.100 -0.018 0.000 0.765 103 P CB 0.047 31.729 31.700 -0.030 0.000 0.823 104 F N 0.270 120.308 119.950 0.147 0.000 2.620 104 F HA 0.799 5.326 4.527 0.000 0.000 0.320 104 F C -0.646 175.107 175.800 -0.079 0.000 1.069 104 F CA -1.121 56.867 58.000 -0.020 0.000 0.953 104 F CB 1.474 40.410 39.000 -0.106 0.000 1.322 104 F HN 0.119 nan 8.300 nan 0.000 0.479 105 D N -0.157 120.261 120.400 0.031 0.000 2.714 105 D HA 0.589 5.229 4.640 0.000 0.000 0.278 105 D C -1.791 174.283 176.300 -0.376 0.000 1.102 105 D CA -0.449 53.540 54.000 -0.018 0.000 1.108 105 D CB 2.442 43.291 40.800 0.082 0.000 1.444 105 D HN 0.426 nan 8.370 nan 0.000 0.568 106 F N 0.005 119.966 119.950 0.019 0.000 2.588 106 F HA 0.275 4.802 4.527 0.000 0.000 0.314 106 F C 0.058 175.654 175.800 -0.341 0.000 1.069 106 F CA -0.815 57.017 58.000 -0.279 0.000 0.931 106 F CB 1.642 40.234 39.000 -0.681 0.000 1.260 106 F HN -0.055 nan 8.300 nan 0.000 0.465 107 D N 2.091 122.452 120.400 -0.065 0.000 2.563 107 D HA 0.119 4.759 4.640 0.000 0.000 0.222 107 D C 0.585 176.883 176.300 -0.003 0.000 1.145 107 D CA 0.220 54.218 54.000 -0.004 0.000 1.001 107 D CB -0.128 40.688 40.800 0.027 0.000 1.049 107 D HN 0.432 nan 8.370 nan 0.000 0.515 108 Y N 0.421 120.811 120.300 0.149 0.000 2.293 108 Y HA -0.141 4.409 4.550 0.000 0.000 0.291 108 Y C 2.360 178.333 175.900 0.122 0.000 1.137 108 Y CA 0.554 58.736 58.100 0.136 0.000 1.202 108 Y CB 0.049 38.575 38.460 0.109 0.000 0.990 108 Y HN 0.158 nan 8.280 nan 0.000 0.537 109 Q N 0.480 120.386 119.800 0.177 0.000 2.297 109 Q HA -0.217 4.123 4.340 0.000 0.000 0.208 109 Q C 1.804 177.893 176.000 0.149 0.000 0.981 109 Q CA 1.001 56.837 55.803 0.054 0.000 0.876 109 Q CB -0.661 28.084 28.738 0.011 0.000 0.921 109 Q HN 0.669 nan 8.270 nan 0.000 0.446 110 N N 0.190 118.974 118.700 0.140 0.000 2.223 110 N HA -0.118 4.622 4.740 0.000 0.000 0.185 110 N C 1.747 177.343 175.510 0.143 0.000 1.016 110 N CA 0.412 53.531 53.050 0.115 0.000 0.863 110 N CB 0.078 38.613 38.487 0.079 0.000 0.983 110 N HN 0.223 nan 8.380 nan 0.000 0.429 111 L N 0.015 121.362 121.223 0.206 0.000 2.083 111 L HA -0.161 4.179 4.340 0.000 0.000 0.209 111 L C 2.246 179.198 176.870 0.137 0.000 1.083 111 L CA 0.970 55.911 54.840 0.167 0.000 0.752 111 L CB -0.640 41.537 42.059 0.197 0.000 0.899 111 L HN 0.337 nan 8.230 nan 0.000 0.433 112 H N -0.874 118.234 119.070 0.063 0.000 2.317 112 H HA -0.062 4.494 4.556 0.000 0.000 0.304 112 H C 2.146 177.497 175.328 0.038 0.000 1.067 112 H CA 1.825 57.902 56.048 0.048 0.000 1.352 112 H CB -0.005 29.788 29.762 0.052 0.000 1.398 112 H HN 0.375 nan 8.280 nan 0.000 0.510 113 T N -0.695 113.970 114.554 0.185 0.000 3.129 113 T HA 0.365 4.715 4.350 0.000 0.000 0.251 113 T C 0.943 175.687 174.700 0.072 0.000 1.117 113 T CA 0.050 62.213 62.100 0.104 0.000 1.034 113 T CB -0.292 68.626 68.868 0.082 0.000 0.968 113 T HN 0.343 nan 8.240 nan 0.000 0.526 114 A N 4.176 127.039 122.820 0.072 0.000 2.580 114 A HA 0.388 4.708 4.320 0.000 0.000 0.244 114 A C -1.149 176.457 177.584 0.037 0.000 1.045 114 A CA -0.975 51.092 52.037 0.050 0.000 0.761 114 A CB -0.310 18.716 19.000 0.044 0.000 0.962 114 A HN 0.478 nan 8.150 nan 0.000 0.512 115 P HA 0.088 nan 4.420 nan 0.000 0.272 115 P C -0.173 177.139 177.300 0.019 0.000 1.240 115 P CA -0.454 62.661 63.100 0.024 0.000 0.791 115 P CB 0.496 32.210 31.700 0.022 0.000 0.978 116 E N 0.173 120.383 120.200 0.016 0.000 2.344 116 E HA 0.279 4.629 4.350 0.000 0.000 0.270 116 E C 0.507 177.113 176.600 0.011 0.000 1.021 116 E CA 0.133 56.540 56.400 0.012 0.000 0.887 116 E CB -0.510 29.197 29.700 0.011 0.000 0.997 116 E HN 0.796 nan 8.360 nan 0.000 0.429 117 G N 3.360 112.166 108.800 0.010 0.000 2.255 117 G HA2 -0.213 3.747 3.960 0.000 0.000 0.239 117 G HA3 -0.213 3.747 3.960 0.000 0.000 0.239 117 G C -0.227 174.678 174.900 0.010 0.000 1.083 117 G CA 0.120 45.225 45.100 0.009 0.000 0.826 117 G HN 0.474 nan 8.290 nan 0.000 0.493 118 S N -0.450 115.256 115.700 0.011 0.000 2.545 118 S HA 0.414 4.884 4.470 0.000 0.000 0.275 118 S C 1.390 175.995 174.600 0.009 0.000 1.299 118 S CA -0.355 57.852 58.200 0.012 0.000 1.048 118 S CB 1.443 64.651 63.200 0.014 0.000 0.938 118 S HN 0.369 nan 8.310 nan 0.000 0.496 119 K N 1.526 121.931 120.400 0.009 0.000 2.362 119 K HA 0.015 4.335 4.320 0.000 0.000 0.200 119 K C 0.678 177.282 176.600 0.008 0.000 1.046 119 K CA 0.329 56.621 56.287 0.008 0.000 0.952 119 K CB 0.044 32.549 32.500 0.008 0.000 0.753 119 K HN 0.661 nan 8.250 nan 0.000 0.466 120 S N -1.301 114.404 115.700 0.009 0.000 2.550 120 S HA 0.170 4.640 4.470 0.000 0.000 0.270 120 S C -1.005 173.601 174.600 0.010 0.000 1.145 120 S CA -1.202 57.003 58.200 0.009 0.000 0.852 120 S CB 1.374 64.579 63.200 0.009 0.000 1.119 120 S HN 0.108 nan 8.310 nan 0.000 0.465 121 Q N 2.203 122.008 119.800 0.008 0.000 2.283 121 Q HA 0.146 4.486 4.340 0.000 0.000 0.301 121 Q C -1.793 174.215 176.000 0.014 0.000 1.063 121 Q CA -0.729 55.079 55.803 0.009 0.000 0.952 121 Q CB 0.198 28.940 28.738 0.006 0.000 1.166 121 Q HN 0.574 nan 8.270 nan 0.000 0.381 122 P HA 0.188 nan 4.420 nan 0.000 0.271 122 P C -0.784 176.533 177.300 0.028 0.000 1.244 122 P CA -0.201 62.915 63.100 0.026 0.000 0.793 122 P CB 0.711 32.432 31.700 0.035 0.000 0.984 123 I N -0.936 119.653 120.570 0.033 0.000 2.984 123 I HA 0.487 4.657 4.170 0.000 0.000 0.303 123 I C -1.469 174.668 176.117 0.034 0.000 1.381 123 I CA -1.111 60.206 61.300 0.028 0.000 0.988 123 I CB 2.028 40.040 38.000 0.021 0.000 1.307 123 I HN 0.438 nan 8.210 nan 0.000 0.460 124 A N 5.841 128.670 122.820 0.016 0.000 2.280 124 A HA 0.746 5.066 4.320 0.000 0.000 0.320 124 A C -0.161 177.478 177.584 0.092 0.000 1.366 124 A CA -0.484 51.556 52.037 0.005 0.000 0.938 124 A CB 0.074 18.998 19.000 -0.127 0.000 1.157 124 A HN 0.644 nan 8.150 nan 0.000 0.536 125 R N 2.772 123.334 120.500 0.103 0.000 2.543 125 R HA 0.449 4.789 4.340 0.000 0.000 0.268 125 R C -2.457 173.910 176.300 0.112 0.000 1.067 125 R CA -1.742 54.436 56.100 0.131 0.000 1.142 125 R CB 0.761 31.092 30.300 0.052 0.000 1.110 125 R HN 0.498 nan 8.270 nan 0.000 0.549 126 P HA 0.144 nan 4.420 nan 0.000 0.278 126 P C -1.255 175.929 177.300 -0.193 0.000 1.238 126 P CA -0.237 62.644 63.100 -0.364 0.000 0.794 126 P CB 1.084 32.504 31.700 -0.467 0.000 0.955 127 R N 1.112 121.500 120.500 -0.187 0.000 2.686 127 R HA 0.436 4.776 4.340 0.000 0.000 0.283 127 R C -0.599 175.692 176.300 -0.016 0.000 0.978 127 R CA -0.659 55.400 56.100 -0.069 0.000 0.897 127 R CB 1.568 31.845 30.300 -0.038 0.000 1.192 127 R HN 0.431 nan 8.270 nan 0.000 0.457 128 S N 3.352 119.051 115.700 -0.001 0.000 2.528 128 S HA 0.172 4.642 4.470 0.000 0.000 0.277 128 S C 1.035 175.647 174.600 0.021 0.000 1.297 128 S CA -0.543 57.669 58.200 0.019 0.000 1.052 128 S CB 0.566 63.756 63.200 -0.017 0.000 0.917 128 S HN 0.671 nan 8.310 nan 0.000 0.492 129 L N 5.206 126.455 121.223 0.042 0.000 2.554 129 L HA 0.079 4.419 4.340 0.000 0.000 0.226 129 L C 1.248 178.150 176.870 0.054 0.000 1.137 129 L CA 0.149 55.035 54.840 0.076 0.000 0.863 129 L CB -0.150 41.979 42.059 0.117 0.000 0.985 129 L HN 0.702 nan 8.230 nan 0.000 0.451 130 I N -0.866 119.647 120.570 -0.095 0.000 2.729 130 I HA -0.081 4.089 4.170 0.000 0.000 0.256 130 I C 2.528 178.521 176.117 -0.207 0.000 1.115 130 I CA 1.594 62.699 61.300 -0.325 0.000 1.446 130 I CB -1.024 36.698 38.000 -0.463 0.000 1.176 130 I HN 0.274 nan 8.210 nan 0.000 0.446 131 T N -2.198 112.284 114.554 -0.121 0.000 3.039 131 T HA 0.246 4.596 4.350 0.000 0.000 0.250 131 T C 1.656 176.339 174.700 -0.029 0.000 1.052 131 T CA 0.946 63.001 62.100 -0.075 0.000 1.125 131 T CB 0.519 69.346 68.868 -0.068 0.000 0.908 131 T HN 0.432 nan 8.240 nan 0.000 0.473 132 G N 1.420 110.210 108.800 -0.016 0.000 2.176 132 G HA2 -0.188 3.772 3.960 0.000 0.000 0.253 132 G HA3 -0.188 3.772 3.960 0.000 0.000 0.253 132 G C -0.111 174.788 174.900 -0.002 0.000 0.979 132 G CA 0.143 45.246 45.100 0.004 0.000 0.641 132 G HN 0.638 nan 8.290 nan 0.000 0.530 133 E N 0.060 120.252 120.200 -0.013 0.000 2.345 133 E HA 0.484 4.834 4.350 0.000 0.000 0.259 133 E C 0.783 177.373 176.600 -0.017 0.000 1.117 133 E CA -0.852 55.540 56.400 -0.013 0.000 0.913 133 E CB 0.781 30.470 29.700 -0.018 0.000 1.057 133 E HN 0.374 nan 8.360 nan 0.000 0.432 134 R N 0.725 121.216 120.500 -0.015 0.000 2.679 134 R HA 0.106 4.446 4.340 0.000 0.000 0.268 134 R C -0.443 175.841 176.300 -0.028 0.000 1.044 134 R CA 0.368 56.456 56.100 -0.020 0.000 1.105 134 R CB 0.214 30.507 30.300 -0.011 0.000 0.989 134 R HN 0.504 nan 8.270 nan 0.000 0.447 135 M N 4.206 123.781 119.600 -0.042 0.000 2.205 135 M HA 0.354 4.834 4.480 0.000 0.000 0.344 135 M C 0.639 176.914 176.300 -0.042 0.000 1.085 135 M CA -0.121 55.148 55.300 -0.051 0.000 1.001 135 M CB 2.059 34.606 32.600 -0.088 0.000 1.626 135 M HN 0.895 nan 8.290 nan 0.000 0.442 136 A N 4.559 127.361 122.820 -0.031 0.000 1.883 136 A HA -0.056 4.264 4.320 0.000 0.000 0.217 136 A C 0.767 178.340 177.584 -0.018 0.000 1.186 136 A CA 1.531 53.557 52.037 -0.018 0.000 0.624 136 A CB 0.060 19.052 19.000 -0.013 0.000 0.822 136 A HN 0.713 nan 8.150 nan 0.000 0.444 137 K N -1.372 119.010 120.400 -0.031 0.000 2.572 137 K HA 0.508 4.828 4.320 0.000 0.000 0.263 137 K C -1.755 174.807 176.600 -0.063 0.000 0.932 137 K CA -0.664 55.608 56.287 -0.025 0.000 0.838 137 K CB 1.107 33.612 32.500 0.008 0.000 1.366 137 K HN 0.176 nan 8.250 nan 0.000 0.425 138 I N 3.860 124.377 120.570 -0.088 0.000 2.452 138 I HA 0.066 4.236 4.170 0.000 0.000 0.287 138 I C 0.717 176.813 176.117 -0.035 0.000 1.079 138 I CA 0.363 61.562 61.300 -0.168 0.000 1.387 138 I CB 1.000 38.812 38.000 -0.314 0.000 1.404 138 I HN 0.694 nan 8.210 nan 0.000 0.522 139 E N 5.376 125.468 120.200 -0.180 0.000 2.526 139 E HA 0.196 4.546 4.350 0.000 0.000 0.208 139 E C -0.009 176.030 176.600 -0.936 0.000 0.997 139 E CA 0.002 56.228 56.400 -0.290 0.000 0.961 139 E CB 0.973 30.584 29.700 -0.149 0.000 1.030 139 E HN 0.456 nan 8.360 nan 0.000 0.483 140 K N -0.179 119.560 120.400 -1.101 0.000 2.587 140 K HA 0.527 4.847 4.320 0.000 0.000 0.276 140 K C -1.452 174.883 176.600 -0.441 0.000 0.956 140 K CA -0.554 54.938 56.287 -1.326 0.000 0.857 140 K CB 2.108 34.302 32.500 -0.509 0.000 1.431 140 K HN 0.087 nan 8.250 nan 0.000 0.420 141 G N 1.029 109.778 108.800 -0.086 0.000 2.695 141 G HA2 0.442 4.402 3.960 0.000 0.000 0.290 141 G HA3 0.442 4.402 3.960 0.000 0.000 0.290 141 G C -2.494 172.289 174.900 -0.195 0.000 1.410 141 G CA -1.054 44.047 45.100 0.001 0.000 0.844 141 G HN 0.351 nan 8.290 nan 0.000 0.478 142 P HA -0.042 nan 4.420 nan 0.000 0.226 142 P C 0.458 177.453 177.300 -0.508 0.000 1.153 142 P CA 0.954 63.521 63.100 -0.889 0.000 0.777 142 P CB 0.463 31.188 31.700 -1.625 0.000 0.794 143 N N -1.284 117.235 118.700 -0.302 0.000 2.433 143 N HA 0.024 4.764 4.740 0.000 0.000 0.270 143 N C 0.806 176.351 175.510 0.058 0.000 1.354 143 N CA -0.656 52.327 53.050 -0.111 0.000 0.889 143 N CB -0.625 37.709 38.487 -0.256 0.000 1.285 143 N HN -0.004 nan 8.380 nan 0.000 0.503 144 W N 0.682 121.946 121.300 -0.059 0.000 2.350 144 W HA -0.104 4.556 4.660 0.000 0.000 0.289 144 W C 0.000 176.542 176.519 0.038 0.000 1.215 144 W CA 1.262 58.609 57.345 0.004 0.000 1.236 144 W CB 0.402 29.893 29.460 0.051 0.000 1.130 144 W HN 0.360 nan 8.180 nan 0.000 0.541 145 E N -0.073 120.259 120.200 0.220 0.000 2.419 145 E HA -0.025 4.325 4.350 0.000 0.000 0.190 145 E C -0.257 176.397 176.600 0.091 0.000 1.040 145 E CA -0.331 56.153 56.400 0.140 0.000 0.900 145 E CB -0.197 29.619 29.700 0.193 0.000 1.054 145 E HN 0.068 nan 8.360 nan 0.000 0.462 146 D N 1.863 122.300 120.400 0.062 0.000 2.533 146 D HA -0.110 4.530 4.640 0.000 0.000 0.236 146 D C -0.379 175.968 176.300 0.079 0.000 1.137 146 D CA 0.551 54.607 54.000 0.093 0.000 0.867 146 D CB 0.317 41.123 40.800 0.010 0.000 1.170 146 D HN -0.067 nan 8.370 nan 0.000 0.474 147 D N 3.442 123.933 120.400 0.152 0.000 2.746 147 D HA -0.202 4.438 4.640 0.000 0.000 0.241 147 D C 0.418 176.742 176.300 0.040 0.000 1.140 147 D CA 0.547 54.611 54.000 0.107 0.000 0.707 147 D CB -0.960 39.906 40.800 0.109 0.000 1.034 147 D HN 0.658 nan 8.370 nan 0.000 0.423 148 L N -2.369 118.869 121.223 0.025 0.000 3.737 148 L HA -0.236 4.104 4.340 0.000 0.000 0.418 148 L C 1.168 178.056 176.870 0.030 0.000 1.216 148 L CA 0.934 55.786 54.840 0.020 0.000 0.915 148 L CB -1.725 40.336 42.059 0.004 0.000 1.834 148 L HN 0.494 nan 8.230 nan 0.000 0.943 149 G N 0.646 109.454 108.800 0.014 0.000 2.519 149 G HA2 0.527 4.487 3.960 0.000 0.000 0.306 149 G HA3 0.527 4.487 3.960 0.000 0.000 0.306 149 G C 0.610 175.516 174.900 0.010 0.000 0.965 149 G CA 0.615 45.700 45.100 -0.025 0.000 1.291 149 G HN 0.729 nan 8.290 nan 0.000 0.450 150 G N 1.779 110.603 108.800 0.041 0.000 2.307 150 G HA2 0.104 4.064 3.960 0.000 0.000 0.348 150 G HA3 0.104 4.064 3.960 0.000 0.000 0.348 150 G C -0.421 174.535 174.900 0.093 0.000 1.603 150 G CA -1.126 44.022 45.100 0.079 0.000 0.961 150 G HN 0.566 nan 8.290 nan 0.000 0.686 151 E N 0.478 120.736 120.200 0.097 0.000 2.534 151 E HA 0.031 4.381 4.350 0.000 0.000 0.264 151 E C 0.912 177.596 176.600 0.140 0.000 0.981 151 E CA 0.086 56.556 56.400 0.116 0.000 0.948 151 E CB 0.794 30.552 29.700 0.097 0.000 0.934 151 E HN 0.470 nan 8.360 nan 0.000 0.459 152 F N 3.665 123.632 119.950 0.027 0.000 2.095 152 F HA -0.232 4.295 4.527 0.000 0.000 0.298 152 F C 1.595 177.404 175.800 0.014 0.000 1.104 152 F CA 1.918 59.929 58.000 0.018 0.000 1.232 152 F CB 0.070 39.076 39.000 0.009 0.000 0.987 152 F HN 0.477 nan 8.300 nan 0.000 0.475 153 D N 0.320 120.738 120.400 0.030 0.000 2.228 153 D HA -0.230 4.410 4.640 0.000 0.000 0.203 153 D C 2.138 178.369 176.300 -0.115 0.000 0.988 153 D CA 1.265 55.218 54.000 -0.078 0.000 0.864 153 D CB -0.365 40.453 40.800 0.030 0.000 0.928 153 D HN 0.423 nan 8.370 nan 0.000 0.469 154 K N 0.722 121.089 120.400 -0.056 0.000 2.067 154 K HA -0.018 4.302 4.320 0.000 0.000 0.203 154 K C 2.349 178.926 176.600 -0.038 0.000 1.048 154 K CA 0.246 56.522 56.287 -0.018 0.000 0.954 154 K CB 0.055 32.581 32.500 0.044 0.000 0.737 154 K HN 0.081 nan 8.250 nan 0.000 0.444 155 L N 0.794 121.975 121.223 -0.069 0.000 2.056 155 L HA -0.048 4.292 4.340 0.000 0.000 0.207 155 L C 2.492 179.311 176.870 -0.086 0.000 1.078 155 L CA 1.041 55.855 54.840 -0.044 0.000 0.749 155 L CB -0.543 41.501 42.059 -0.026 0.000 0.901 155 L HN 0.198 nan 8.230 nan 0.000 0.433 156 A N 0.031 122.635 122.820 -0.359 0.000 2.259 156 A HA -0.161 4.159 4.320 0.000 0.000 0.212 156 A C 2.006 179.532 177.584 -0.097 0.000 1.178 156 A CA 1.094 52.902 52.037 -0.382 0.000 0.734 156 A CB -0.493 17.815 19.000 -1.152 0.000 0.774 156 A HN 0.357 nan 8.150 nan 0.000 0.481 157 K N 0.454 120.819 120.400 -0.057 0.000 2.525 157 K HA -0.043 4.277 4.320 0.000 0.000 0.192 157 K C 0.134 176.767 176.600 0.054 0.000 1.029 157 K CA 0.102 56.385 56.287 -0.007 0.000 1.029 157 K CB -0.042 32.450 32.500 -0.014 0.000 0.814 157 K HN 0.474 nan 8.250 nan 0.000 0.503 158 D N 1.927 122.404 120.400 0.128 0.000 2.531 158 D HA -0.108 4.532 4.640 0.000 0.000 0.239 158 D C 0.896 177.256 176.300 0.101 0.000 1.144 158 D CA 0.468 54.545 54.000 0.128 0.000 0.869 158 D CB 1.096 42.031 40.800 0.224 0.000 1.160 158 D HN -0.127 nan 8.370 nan 0.000 0.484 159 K N 3.266 123.654 120.400 -0.019 0.000 2.280 159 K HA -0.099 4.221 4.320 0.000 0.000 0.202 159 K C 1.020 177.583 176.600 -0.061 0.000 1.047 159 K CA 1.297 57.552 56.287 -0.052 0.000 0.942 159 K CB -0.136 32.279 32.500 -0.141 0.000 0.739 159 K HN 0.482 nan 8.250 nan 0.000 0.457 160 N N -0.808 117.815 118.700 -0.128 0.000 2.461 160 N HA -0.015 4.725 4.740 0.000 0.000 0.188 160 N C -0.002 175.380 175.510 -0.214 0.000 1.134 160 N CA -0.050 52.801 53.050 -0.332 0.000 0.878 160 N CB 0.059 38.069 38.487 -0.796 0.000 0.972 160 N HN 0.067 nan 8.380 nan 0.000 0.456 161 F N 1.133 121.103 119.950 0.034 0.000 2.693 161 F HA 0.163 4.690 4.527 0.000 0.000 0.303 161 F C 0.276 176.121 175.800 0.075 0.000 1.097 161 F CA -0.541 57.544 58.000 0.142 0.000 1.330 161 F CB -0.001 39.094 39.000 0.158 0.000 1.067 161 F HN -0.133 nan 8.300 nan 0.000 0.565 162 D N 0.769 121.280 120.400 0.185 0.000 2.382 162 D HA 0.049 4.689 4.640 0.000 0.000 0.245 162 D C 0.695 177.057 176.300 0.103 0.000 1.120 162 D CA 0.486 54.552 54.000 0.109 0.000 0.890 162 D CB 0.263 41.087 40.800 0.039 0.000 1.201 162 D HN 0.078 nan 8.370 nan 0.000 0.433 163 N N 0.610 119.365 118.700 0.092 0.000 2.782 163 N HA -0.193 4.547 4.740 0.000 0.000 0.251 163 N C -0.644 174.937 175.510 0.120 0.000 1.101 163 N CA 0.643 53.741 53.050 0.080 0.000 0.764 163 N CB -1.256 37.259 38.487 0.047 0.000 1.122 163 N HN 0.484 nan 8.380 nan 0.000 0.561 164 I N 0.740 121.422 120.570 0.187 0.000 2.582 164 I HA 0.161 4.331 4.170 0.000 0.000 0.292 164 I C 0.255 176.513 176.117 0.236 0.000 1.066 164 I CA -0.562 60.895 61.300 0.261 0.000 1.053 164 I CB 2.228 40.499 38.000 0.451 0.000 1.241 164 I HN -0.167 nan 8.210 nan 0.000 0.421 165 Q N 5.272 125.187 119.800 0.191 0.000 2.344 165 Q HA 0.131 4.471 4.340 0.000 0.000 0.253 165 Q C 0.718 176.810 176.000 0.154 0.000 1.050 165 Q CA -0.201 55.672 55.803 0.118 0.000 0.912 165 Q CB 0.875 29.649 28.738 0.060 0.000 1.258 165 Q HN 0.522 nan 8.270 nan 0.000 0.443 166 K N 1.171 121.635 120.400 0.107 0.000 2.426 166 K HA 0.102 4.422 4.320 0.000 0.000 0.193 166 K C 1.424 178.089 176.600 0.108 0.000 1.028 166 K CA 0.644 57.001 56.287 0.117 0.000 1.047 166 K CB 0.237 32.476 32.500 -0.435 0.000 0.821 166 K HN 0.426 nan 8.250 nan 0.000 0.513 167 A N 3.503 126.336 122.820 0.020 0.000 1.884 167 A HA -0.256 4.064 4.320 0.000 0.000 0.219 167 A C 2.409 179.907 177.584 -0.143 0.000 1.197 167 A CA 2.392 54.417 52.037 -0.019 0.000 0.637 167 A CB -0.865 18.115 19.000 -0.034 0.000 0.827 167 A HN 0.639 nan 8.150 nan 0.000 0.450 168 M N -2.281 117.167 119.600 -0.252 0.000 2.337 168 M HA -0.160 4.320 4.480 0.000 0.000 0.261 168 M C 1.401 177.439 176.300 -0.436 0.000 1.067 168 M CA 1.847 56.922 55.300 -0.375 0.000 1.074 168 M CB -0.793 31.521 32.600 -0.476 0.000 1.395 168 M HN 0.412 nan 8.290 nan 0.000 0.431 169 Y N 1.138 121.412 120.300 -0.045 0.000 2.490 169 Y HA 0.143 4.693 4.550 0.000 0.000 0.281 169 Y C 2.352 177.874 175.900 -0.630 0.000 1.174 169 Y CA 0.240 58.291 58.100 -0.080 0.000 1.295 169 Y CB -0.095 38.559 38.460 0.323 0.000 1.062 169 Y HN 0.509 nan 8.280 nan 0.000 0.522 170 S N -1.205 113.991 115.700 -0.840 0.000 2.575 170 S HA 0.051 4.521 4.470 0.000 0.000 0.215 170 S C 0.383 174.723 174.600 -0.434 0.000 0.966 170 S CA -0.373 57.118 58.200 -1.180 0.000 0.911 170 S CB -0.149 62.450 63.200 -1.000 0.000 0.780 170 S HN 0.343 nan 8.310 nan 0.000 0.514 171 Q N 0.817 120.461 119.800 -0.259 0.000 2.294 171 Q HA 0.323 4.663 4.340 0.000 0.000 0.257 171 Q C 0.219 176.213 176.000 -0.011 0.000 0.955 171 Q CA -0.552 55.196 55.803 -0.091 0.000 0.936 171 Q CB 0.687 29.378 28.738 -0.077 0.000 1.188 171 Q HN 0.337 nan 8.270 nan 0.000 0.420 172 F N 3.455 123.357 119.950 -0.081 0.000 2.063 172 F HA -0.347 4.180 4.527 0.000 0.000 0.297 172 F C 1.427 177.219 175.800 -0.014 0.000 1.099 172 F CA 2.350 60.324 58.000 -0.044 0.000 1.220 172 F CB 0.253 39.234 39.000 -0.033 0.000 0.972 172 F HN 0.620 nan 8.300 nan 0.000 0.487 173 E N 0.088 120.274 120.200 -0.023 0.000 2.209 173 E HA -0.195 4.155 4.350 0.000 0.000 0.196 173 E C 1.506 178.037 176.600 -0.115 0.000 0.993 173 E CA 1.468 57.805 56.400 -0.104 0.000 0.819 173 E CB -0.445 29.270 29.700 0.025 0.000 0.745 173 E HN 0.472 nan 8.360 nan 0.000 0.477 174 N N -0.115 118.552 118.700 -0.054 0.000 2.280 174 N HA 0.017 4.757 4.740 0.000 0.000 0.192 174 N C -0.333 175.257 175.510 0.133 0.000 1.109 174 N CA 0.186 53.272 53.050 0.059 0.000 0.855 174 N CB 0.268 38.816 38.487 0.102 0.000 0.974 174 N HN 0.008 nan 8.380 nan 0.000 0.482 175 T N 2.181 116.711 114.554 -0.040 0.000 2.939 175 T HA 0.060 4.410 4.350 0.000 0.000 0.312 175 T C -0.046 174.682 174.700 0.047 0.000 1.064 175 T CA 0.625 62.691 62.100 -0.056 0.000 1.136 175 T CB -0.219 68.523 68.868 -0.209 0.000 1.035 175 T HN 0.274 nan 8.240 nan 0.000 0.538 176 F N 2.004 121.907 119.950 -0.077 0.000 2.628 176 F HA 0.736 5.263 4.527 0.000 0.000 0.309 176 F C -1.050 174.649 175.800 -0.168 0.000 1.108 176 F CA -1.709 56.210 58.000 -0.136 0.000 0.971 176 F CB 1.498 40.390 39.000 -0.180 0.000 1.279 176 F HN 0.639 nan 8.300 nan 0.000 0.441 177 M N 5.774 125.328 119.600 -0.077 0.000 2.470 177 M HA 0.812 5.292 4.480 0.000 0.000 0.285 177 M C -1.935 174.241 176.300 -0.208 0.000 1.213 177 M CA -0.737 54.418 55.300 -0.241 0.000 0.901 177 M CB 3.041 35.471 32.600 -0.284 0.000 1.718 177 M HN 1.016 nan 8.290 nan 0.000 0.469 178 M N 0.811 120.240 119.600 -0.285 0.000 2.622 178 M HA 0.662 5.142 4.480 0.000 0.000 0.276 178 M C -2.249 173.831 176.300 -0.368 0.000 1.265 178 M CA -0.767 54.358 55.300 -0.291 0.000 0.850 178 M CB 2.256 34.830 32.600 -0.043 0.000 1.720 178 M HN 0.772 nan 8.290 nan 0.000 0.465 179 Y N 0.650 121.005 120.300 0.091 0.000 2.446 179 Y HA 0.737 5.287 4.550 0.000 0.000 0.338 179 Y C -0.843 175.120 175.900 0.105 0.000 1.055 179 Y CA -1.004 57.151 58.100 0.093 0.000 1.101 179 Y CB 2.056 40.560 38.460 0.073 0.000 1.221 179 Y HN 0.621 nan 8.280 nan 0.000 0.460 180 L N 6.143 127.537 121.223 0.285 0.000 2.462 180 L HA 0.526 4.866 4.340 0.000 0.000 0.255 180 L C -2.846 174.166 176.870 0.237 0.000 1.076 180 L CA -2.278 52.690 54.840 0.214 0.000 0.920 180 L CB 0.924 43.088 42.059 0.175 0.000 1.214 180 L HN 0.281 nan 8.230 nan 0.000 0.472 181 P HA 0.357 nan 4.420 nan 0.000 0.279 181 P C -1.356 176.132 177.300 0.314 0.000 1.239 181 P CA -0.299 62.929 63.100 0.213 0.000 0.789 181 P CB 0.917 32.716 31.700 0.166 0.000 0.933 182 R N 2.749 123.405 120.500 0.259 0.000 2.668 182 R HA 0.753 5.093 4.340 0.000 0.000 0.272 182 R C -0.531 175.903 176.300 0.224 0.000 1.019 182 R CA -1.027 55.241 56.100 0.280 0.000 0.894 182 R CB 1.166 31.616 30.300 0.251 0.000 1.228 182 R HN 0.397 nan 8.270 nan 0.000 0.460 183 L N -0.930 120.414 121.223 0.202 0.000 2.225 183 L HA 0.749 5.089 4.340 0.000 0.000 0.257 183 L C -0.214 176.708 176.870 0.087 0.000 1.101 183 L CA -1.344 53.605 54.840 0.181 0.000 1.073 183 L CB 0.500 42.682 42.059 0.203 0.000 1.627 183 L HN 0.738 nan 8.230 nan 0.000 0.518 184 C N 0.649 119.968 119.300 0.033 0.000 2.536 184 C HA 0.279 4.739 4.460 0.000 0.000 0.396 184 C C 1.653 176.546 174.990 -0.161 0.000 1.279 184 C CA -0.163 58.751 59.018 -0.174 0.000 2.148 184 C CB 0.312 27.816 27.740 -0.395 0.000 2.584 184 C HN 0.812 nan 8.230 nan 0.000 0.579 185 E N 1.336 121.368 120.200 -0.281 0.000 2.274 185 E HA -0.039 4.311 4.350 0.000 0.000 0.194 185 E C 0.648 177.215 176.600 -0.055 0.000 0.996 185 E CA 0.698 56.988 56.400 -0.183 0.000 0.840 185 E CB -0.313 29.148 29.700 -0.398 0.000 0.772 185 E HN 0.850 nan 8.360 nan 0.000 0.491 186 H N -0.636 118.370 119.070 -0.107 0.000 2.677 186 H HA -0.157 4.399 4.556 0.000 0.000 0.321 186 H C 0.172 175.439 175.328 -0.103 0.000 1.171 186 H CA 0.574 56.538 56.048 -0.139 0.000 1.139 186 H CB -2.485 27.111 29.762 -0.277 0.000 1.515 186 H HN 0.186 nan 8.280 nan 0.000 0.423 187 C N 0.486 119.791 119.300 0.009 0.000 2.746 187 C HA -0.046 4.414 4.460 0.000 0.000 0.403 187 C C 2.679 177.683 174.990 0.023 0.000 1.270 187 C CA -0.227 58.828 59.018 0.061 0.000 1.978 187 C CB 0.055 27.878 27.740 0.139 0.000 2.724 187 C HN 0.588 nan 8.230 nan 0.000 0.678 188 L N 0.988 122.213 121.223 0.004 0.000 2.354 188 L HA 0.067 4.407 4.340 0.000 0.000 0.212 188 L C 1.089 177.977 176.870 0.030 0.000 1.091 188 L CA 1.066 55.859 54.840 -0.079 0.000 0.828 188 L CB -0.351 41.600 42.059 -0.180 0.000 0.973 188 L HN 0.759 nan 8.230 nan 0.000 0.461 189 N N 0.600 119.351 118.700 0.086 0.000 2.757 189 N HA 0.166 4.906 4.740 0.000 0.000 0.296 189 N C -2.593 173.125 175.510 0.347 0.000 1.874 189 N CA -2.029 51.101 53.050 0.133 0.000 0.885 189 N CB 0.730 39.193 38.487 -0.041 0.000 1.242 189 N HN -0.105 nan 8.380 nan 0.000 0.488 190 P HA 0.059 nan 4.420 nan 0.000 0.267 190 P C 0.313 177.821 177.300 0.347 0.000 1.205 190 P CA 0.038 63.307 63.100 0.280 0.000 0.765 190 P CB 1.573 33.356 31.700 0.139 0.000 0.828 191 A N 3.702 126.649 122.820 0.212 0.000 1.970 191 A HA -0.127 4.193 4.320 0.000 0.000 0.216 191 A C 2.301 179.783 177.584 -0.170 0.000 1.170 191 A CA 1.368 53.274 52.037 -0.218 0.000 0.645 191 A CB -1.564 17.178 19.000 -0.431 0.000 0.816 191 A HN 0.753 nan 8.150 nan 0.000 0.447 192 C N -1.554 117.718 119.300 -0.047 0.000 2.413 192 C HA -0.091 4.369 4.460 0.000 0.000 0.276 192 C C 2.296 177.280 174.990 -0.010 0.000 1.236 192 C CA 0.962 59.956 59.018 -0.040 0.000 1.735 192 C CB -1.703 26.022 27.740 -0.025 0.000 2.031 192 C HN 0.295 nan 8.230 nan 0.000 0.474 193 V N 2.233 122.169 119.914 0.036 0.000 2.392 193 V HA -0.162 3.958 4.120 0.000 0.000 0.249 193 V C 3.153 179.289 176.094 0.071 0.000 1.059 193 V CA 2.399 64.743 62.300 0.074 0.000 1.051 193 V CB -1.391 30.503 31.823 0.119 0.000 0.658 193 V HN 0.759 nan 8.190 nan 0.000 0.455 194 A N 0.248 123.094 122.820 0.043 0.000 2.119 194 A HA -0.102 4.218 4.320 0.000 0.000 0.216 194 A C 2.222 179.761 177.584 -0.075 0.000 1.152 194 A CA 1.707 53.749 52.037 0.007 0.000 0.708 194 A CB -0.520 18.437 19.000 -0.071 0.000 0.805 194 A HN 0.629 nan 8.150 nan 0.000 0.460 195 T N -4.440 110.055 114.554 -0.099 0.000 3.069 195 T HA 0.160 4.510 4.350 0.000 0.000 0.252 195 T C 0.511 175.205 174.700 -0.011 0.000 1.053 195 T CA 0.240 62.288 62.100 -0.086 0.000 0.964 195 T CB -1.021 67.772 68.868 -0.124 0.000 1.005 195 T HN 0.333 nan 8.240 nan 0.000 0.532 196 C N 3.626 122.945 119.300 0.032 0.000 2.256 196 C HA 0.491 4.951 4.460 0.000 0.000 0.333 196 C C -0.952 174.103 174.990 0.108 0.000 1.183 196 C CA -1.896 57.180 59.018 0.096 0.000 1.692 196 C CB 0.330 28.137 27.740 0.111 0.000 2.274 196 C HN 0.275 nan 8.230 nan 0.000 0.509 197 P HA -0.150 nan 4.420 nan 0.000 0.215 197 P C 1.710 179.086 177.300 0.126 0.000 1.157 197 P CA 2.130 65.251 63.100 0.035 0.000 0.874 197 P CB 0.040 31.638 31.700 -0.171 0.000 0.790 198 S N -1.701 114.189 115.700 0.315 0.000 2.515 198 S HA 0.114 4.584 4.470 0.000 0.000 0.231 198 S C 1.628 176.335 174.600 0.179 0.000 0.987 198 S CA 0.588 58.970 58.200 0.303 0.000 0.936 198 S CB -1.497 61.934 63.200 0.385 0.000 0.766 198 S HN 0.325 nan 8.310 nan 0.000 0.528 199 G N 0.783 109.675 108.800 0.154 0.000 2.221 199 G HA2 -0.171 3.789 3.960 0.000 0.000 0.265 199 G HA3 -0.171 3.789 3.960 0.000 0.000 0.265 199 G C 0.676 175.658 174.900 0.137 0.000 1.041 199 G CA 0.166 45.341 45.100 0.125 0.000 0.807 199 G HN 1.237 nan 8.290 nan 0.000 0.502 200 A N -1.014 121.894 122.820 0.147 0.000 2.169 200 A HA 0.599 4.919 4.320 0.000 0.000 0.212 200 A C 1.195 178.902 177.584 0.206 0.000 1.153 200 A CA 0.667 52.798 52.037 0.156 0.000 0.756 200 A CB 0.122 19.191 19.000 0.114 0.000 0.813 200 A HN 0.688 nan 8.150 nan 0.000 0.471 201 I N -0.073 120.598 120.570 0.169 0.000 2.488 201 I HA 0.516 4.686 4.170 0.000 0.000 0.299 201 I C -0.362 175.883 176.117 0.213 0.000 0.984 201 I CA -0.908 60.461 61.300 0.114 0.000 1.250 201 I CB 1.298 39.323 38.000 0.042 0.000 1.389 201 I HN 0.453 nan 8.210 nan 0.000 0.488 202 Y N 2.472 122.787 120.300 0.025 0.000 2.656 202 Y HA 0.543 5.093 4.550 0.000 0.000 0.334 202 Y C -1.358 174.557 175.900 0.025 0.000 1.179 202 Y CA -1.430 56.687 58.100 0.028 0.000 1.050 202 Y CB 1.110 39.581 38.460 0.019 0.000 1.308 202 Y HN 0.361 nan 8.280 nan 0.000 0.456 203 K N 2.148 122.661 120.400 0.188 0.000 2.185 203 K HA 0.507 4.827 4.320 0.000 0.000 0.269 203 K C -0.872 175.854 176.600 0.210 0.000 0.987 203 K CA -0.832 55.519 56.287 0.107 0.000 0.865 203 K CB 1.025 33.594 32.500 0.114 0.000 1.090 203 K HN 0.850 nan 8.250 nan 0.000 0.450 204 R N 2.670 123.245 120.500 0.126 0.000 2.347 204 R HA -0.010 4.330 4.340 0.000 0.000 0.304 204 R C 0.974 177.331 176.300 0.094 0.000 1.072 204 R CA -0.026 56.157 56.100 0.139 0.000 0.980 204 R CB 0.864 31.194 30.300 0.050 0.000 0.986 204 R HN 0.777 nan 8.270 nan 0.000 0.448 205 E N 2.951 123.201 120.200 0.084 0.000 2.085 205 E HA -0.247 4.103 4.350 0.000 0.000 0.194 205 E C 1.347 177.969 176.600 0.036 0.000 0.994 205 E CA 1.530 57.964 56.400 0.056 0.000 0.801 205 E CB 0.314 30.033 29.700 0.031 0.000 0.743 205 E HN 0.633 nan 8.360 nan 0.000 0.453 206 E N 0.685 120.903 120.200 0.030 0.000 2.204 206 E HA -0.192 4.158 4.350 0.000 0.000 0.194 206 E C 0.650 177.266 176.600 0.027 0.000 0.989 206 E CA 1.686 58.102 56.400 0.026 0.000 0.824 206 E CB -0.076 29.645 29.700 0.035 0.000 0.756 206 E HN 0.473 nan 8.360 nan 0.000 0.477 207 D N -2.144 118.268 120.400 0.020 0.000 2.530 207 D HA 0.213 4.853 4.640 0.000 0.000 0.253 207 D C 1.086 177.361 176.300 -0.041 0.000 1.338 207 D CA 0.189 54.187 54.000 -0.003 0.000 0.806 207 D CB 0.229 41.027 40.800 -0.004 0.000 1.160 207 D HN 0.196 nan 8.370 nan 0.000 0.514 208 G N 0.870 109.675 108.800 0.008 0.000 2.180 208 G HA2 -0.333 3.627 3.960 0.000 0.000 0.263 208 G HA3 -0.333 3.627 3.960 0.000 0.000 0.263 208 G C 0.202 175.049 174.900 -0.089 0.000 0.989 208 G CA 0.409 45.513 45.100 0.005 0.000 0.692 208 G HN 0.497 nan 8.290 nan 0.000 0.526 209 I N 0.435 120.922 120.570 -0.138 0.000 2.588 209 I HA 0.245 4.415 4.170 0.000 0.000 0.283 209 I C 0.789 176.887 176.117 -0.032 0.000 1.119 209 I CA -0.402 60.788 61.300 -0.184 0.000 1.419 209 I CB 1.267 39.160 38.000 -0.179 0.000 1.394 209 I HN -0.121 nan 8.210 nan 0.000 0.562 210 V N 7.914 127.928 119.914 0.167 0.000 2.370 210 V HA 0.400 4.520 4.120 0.000 0.000 0.279 210 V C 0.119 176.122 176.094 -0.153 0.000 1.029 210 V CA -0.389 61.885 62.300 -0.043 0.000 0.870 210 V CB 1.042 32.839 31.823 -0.043 0.000 0.984 210 V HN 0.453 nan 8.190 nan 0.000 0.451 211 L N 5.441 126.410 121.223 -0.422 0.000 2.341 211 L HA 0.649 4.989 4.340 0.000 0.000 0.267 211 L C -0.624 176.003 176.870 -0.406 0.000 1.009 211 L CA -0.730 53.865 54.840 -0.407 0.000 0.819 211 L CB 2.589 44.364 42.059 -0.474 0.000 1.323 211 L HN 0.424 nan 8.230 nan 0.000 0.425 212 I N 1.377 121.833 120.570 -0.189 0.000 2.312 212 I HA 0.128 4.298 4.170 0.000 0.000 0.290 212 I C -0.293 175.823 176.117 -0.001 0.000 1.008 212 I CA -0.418 60.838 61.300 -0.073 0.000 1.226 212 I CB 1.300 39.280 38.000 -0.034 0.000 1.371 212 I HN 0.529 nan 8.210 nan 0.000 0.468 213 D N 6.800 127.261 120.400 0.101 0.000 2.363 213 D HA -0.023 4.617 4.640 0.000 0.000 0.263 213 D C 1.037 177.386 176.300 0.082 0.000 1.258 213 D CA 0.164 54.259 54.000 0.159 0.000 0.907 213 D CB 1.059 42.011 40.800 0.254 0.000 1.107 213 D HN 0.384 nan 8.370 nan 0.000 0.495 214 Q N 2.789 122.625 119.800 0.060 0.000 2.291 214 Q HA -0.118 4.222 4.340 0.000 0.000 0.206 214 Q C 0.838 176.850 176.000 0.019 0.000 0.976 214 Q CA 0.947 56.767 55.803 0.029 0.000 0.875 214 Q CB 0.146 28.899 28.738 0.025 0.000 0.927 214 Q HN 0.586 nan 8.270 nan 0.000 0.450 215 D N 0.206 120.626 120.400 0.034 0.000 2.110 215 D HA -0.072 4.568 4.640 0.000 0.000 0.202 215 D C 1.644 177.954 176.300 0.017 0.000 0.975 215 D CA 0.845 54.858 54.000 0.022 0.000 0.839 215 D CB 0.246 41.064 40.800 0.030 0.000 0.996 215 D HN -0.013 nan 8.370 nan 0.000 0.464 216 K N 0.325 120.746 120.400 0.035 0.000 2.228 216 K HA 0.004 4.324 4.320 0.000 0.000 0.202 216 K C 0.823 177.436 176.600 0.022 0.000 1.051 216 K CA -0.093 56.217 56.287 0.037 0.000 0.960 216 K CB -0.848 31.689 32.500 0.061 0.000 0.743 216 K HN 0.203 nan 8.250 nan 0.000 0.458 217 C N 2.794 122.104 119.300 0.015 0.000 2.611 217 C HA 0.088 4.548 4.460 0.000 0.000 0.416 217 C C 1.340 176.264 174.990 -0.111 0.000 1.366 217 C CA -0.271 58.737 59.018 -0.017 0.000 1.761 217 C CB -0.164 27.576 27.740 -0.000 0.000 2.619 217 C HN 0.318 nan 8.230 nan 0.000 0.606 218 R N 3.216 123.561 120.500 -0.259 0.000 2.437 218 R HA 0.208 4.548 4.340 0.000 0.000 0.257 218 R C 1.487 177.373 176.300 -0.689 0.000 0.927 218 R CA 0.745 56.523 56.100 -0.537 0.000 1.078 218 R CB -0.153 29.659 30.300 -0.813 0.000 1.161 218 R HN 1.293 nan 8.270 nan 0.000 0.529 219 G N 1.127 109.717 108.800 -0.351 0.000 2.225 219 G HA2 -0.247 3.713 3.960 0.000 0.000 0.264 219 G HA3 -0.247 3.713 3.960 0.000 0.000 0.264 219 G C 0.381 175.230 174.900 -0.085 0.000 1.060 219 G CA 0.310 45.360 45.100 -0.084 0.000 0.833 219 G HN 0.526 nan 8.290 nan 0.000 0.498 220 W N -0.160 121.199 121.300 0.098 0.000 2.937 220 W HA 0.177 4.837 4.660 0.000 0.000 0.245 220 W C 1.849 178.365 176.519 -0.005 0.000 1.306 220 W CA -0.176 57.190 57.345 0.036 0.000 1.470 220 W CB 0.129 29.598 29.460 0.014 0.000 1.132 220 W HN 0.694 nan 8.180 nan 0.000 0.675 221 R N -0.756 119.854 120.500 0.184 0.000 3.484 221 R HA -0.286 4.054 4.340 0.000 0.000 0.260 221 R C 0.406 176.737 176.300 0.052 0.000 1.053 221 R CA 1.488 57.623 56.100 0.059 0.000 0.703 221 R CB -2.555 27.608 30.300 -0.228 0.000 1.089 221 R HN 0.174 nan 8.270 nan 0.000 0.459 222 M N -0.675 118.983 119.600 0.097 0.000 2.486 222 M HA 0.080 4.560 4.480 0.000 0.000 0.264 222 M C 2.423 178.739 176.300 0.026 0.000 1.125 222 M CA 1.112 56.441 55.300 0.049 0.000 1.144 222 M CB -0.950 31.673 32.600 0.039 0.000 1.353 222 M HN 0.612 nan 8.290 nan 0.000 0.466 223 C N 0.471 119.798 119.300 0.046 0.000 2.401 223 C HA -0.121 4.339 4.460 0.000 0.000 0.276 223 C C 2.547 177.533 174.990 -0.007 0.000 1.233 223 C CA 0.322 59.349 59.018 0.016 0.000 1.753 223 C CB -1.736 26.028 27.740 0.040 0.000 2.029 223 C HN 0.486 nan 8.230 nan 0.000 0.478 224 I N 1.719 122.299 120.570 0.016 0.000 2.335 224 I HA -0.191 3.979 4.170 0.000 0.000 0.251 224 I C 2.787 178.883 176.117 -0.035 0.000 1.129 224 I CA 2.062 63.359 61.300 -0.005 0.000 1.402 224 I CB -0.751 37.275 38.000 0.043 0.000 1.069 224 I HN 0.432 nan 8.210 nan 0.000 0.424 225 T N 0.124 114.668 114.554 -0.016 0.000 2.894 225 T HA 0.003 4.353 4.350 0.000 0.000 0.258 225 T C 1.981 176.634 174.700 -0.079 0.000 1.043 225 T CA 1.156 63.245 62.100 -0.018 0.000 1.141 225 T CB -0.430 68.465 68.868 0.045 0.000 0.873 225 T HN 0.539 nan 8.240 nan 0.000 0.449 226 G N 0.469 109.213 108.800 -0.092 0.000 2.450 226 G HA2 -0.205 3.755 3.960 0.000 0.000 0.220 226 G HA3 -0.205 3.755 3.960 0.000 0.000 0.220 226 G C 0.982 175.787 174.900 -0.160 0.000 1.130 226 G CA 0.585 45.589 45.100 -0.160 0.000 0.760 226 G HN 0.586 nan 8.290 nan 0.000 0.557 227 C N 3.409 122.649 119.300 -0.101 0.000 2.610 227 C HA 0.358 4.818 4.460 0.000 0.000 0.382 227 C C 0.182 175.123 174.990 -0.081 0.000 1.287 227 C CA -1.592 57.396 59.018 -0.049 0.000 1.640 227 C CB 0.739 28.462 27.740 -0.028 0.000 2.335 227 C HN 0.312 nan 8.230 nan 0.000 0.577 228 P HA -0.132 nan 4.420 nan 0.000 0.222 228 P C 0.418 177.589 177.300 -0.215 0.000 1.147 228 P CA 1.650 64.497 63.100 -0.422 0.000 0.790 228 P CB -0.053 31.116 31.700 -0.884 0.000 0.780 229 Y N -0.352 120.004 120.300 0.093 0.000 2.466 229 Y HA 0.206 4.756 4.550 0.000 0.000 0.272 229 Y C 1.031 176.783 175.900 -0.247 0.000 1.169 229 Y CA -0.247 57.883 58.100 0.051 0.000 1.285 229 Y CB -0.272 38.195 38.460 0.012 0.000 1.078 229 Y HN -0.211 nan 8.280 nan 0.000 0.523 230 K N 0.759 121.121 120.400 -0.064 0.000 3.148 230 K HA -0.231 4.089 4.320 0.000 0.000 0.267 230 K C 0.164 176.569 176.600 -0.324 0.000 0.996 230 K CA 0.442 56.594 56.287 -0.226 0.000 0.737 230 K CB -1.157 31.169 32.500 -0.290 0.000 1.308 230 K HN 0.406 nan 8.250 nan 0.000 0.470 231 K N -0.253 120.015 120.400 -0.221 0.000 2.358 231 K HA 0.256 4.576 4.320 0.000 0.000 0.197 231 K C 0.901 177.354 176.600 -0.246 0.000 1.025 231 K CA 0.001 56.180 56.287 -0.181 0.000 1.104 231 K CB 0.544 33.020 32.500 -0.040 0.000 0.855 231 K HN 0.286 nan 8.250 nan 0.000 0.531 232 I N 1.297 121.678 120.570 -0.315 0.000 2.353 232 I HA 0.182 4.352 4.170 0.000 0.000 0.293 232 I C -0.732 175.209 176.117 -0.294 0.000 0.992 232 I CA -0.824 60.375 61.300 -0.170 0.000 1.268 232 I CB 0.756 38.712 38.000 -0.074 0.000 1.387 232 I HN -0.085 nan 8.210 nan 0.000 0.478 233 Y N 5.403 125.777 120.300 0.123 0.000 2.376 233 Y HA 0.329 4.879 4.550 0.000 0.000 0.340 233 Y C -0.199 175.838 175.900 0.228 0.000 0.965 233 Y CA -0.769 57.423 58.100 0.154 0.000 1.078 233 Y CB 1.579 40.045 38.460 0.011 0.000 1.193 233 Y HN 0.358 nan 8.280 nan 0.000 0.452 234 F N 4.688 124.812 119.950 0.291 0.000 2.467 234 F HA 0.195 4.722 4.527 0.000 0.000 0.362 234 F C 0.326 176.304 175.800 0.296 0.000 1.090 234 F CA -0.600 57.547 58.000 0.244 0.000 1.202 234 F CB 0.491 39.627 39.000 0.227 0.000 1.113 234 F HN 0.490 nan 8.300 nan 0.000 0.541 235 N N 8.050 126.524 118.700 -0.378 0.000 2.482 235 N HA -0.035 4.705 4.740 0.000 0.000 0.242 235 N C 1.168 176.304 175.510 -0.623 0.000 1.100 235 N CA -0.418 52.411 53.050 -0.369 0.000 0.946 235 N CB 0.191 38.476 38.487 -0.338 0.000 1.227 235 N HN 0.907 nan 8.380 nan 0.000 0.508 236 W N 3.925 125.070 121.300 -0.258 0.000 2.424 236 W HA -0.105 4.555 4.660 0.000 0.000 0.264 236 W C 0.961 177.412 176.519 -0.114 0.000 1.229 236 W CA 0.146 57.411 57.345 -0.135 0.000 1.208 236 W CB -0.196 29.307 29.460 0.072 0.000 1.127 236 W HN 0.462 nan 8.180 nan 0.000 0.588 237 K N 1.602 121.730 120.400 -0.454 0.000 2.168 237 K HA -0.110 4.210 4.320 0.000 0.000 0.201 237 K C 2.537 179.004 176.600 -0.222 0.000 1.049 237 K CA 1.616 57.684 56.287 -0.365 0.000 0.974 237 K CB -0.305 31.750 32.500 -0.743 0.000 0.792 237 K HN 0.053 nan 8.250 nan 0.000 0.463 238 S N -0.983 114.539 115.700 -0.296 0.000 2.414 238 S HA 0.085 4.556 4.470 0.000 0.000 0.227 238 S C 1.522 176.008 174.600 -0.189 0.000 1.022 238 S CA 0.961 59.033 58.200 -0.213 0.000 0.958 238 S CB 0.089 63.160 63.200 -0.215 0.000 0.797 238 S HN 0.569 nan 8.310 nan 0.000 0.493 239 G N 0.945 109.554 108.800 -0.319 0.000 2.195 239 G HA2 -0.200 3.760 3.960 0.000 0.000 0.246 239 G HA3 -0.200 3.760 3.960 0.000 0.000 0.246 239 G C 0.001 174.780 174.900 -0.201 0.000 0.984 239 G CA 0.268 45.238 45.100 -0.217 0.000 0.633 239 G HN 0.626 nan 8.290 nan 0.000 0.525 240 K N 0.399 120.635 120.400 -0.274 0.000 2.211 240 K HA 0.705 5.025 4.320 0.000 0.000 0.237 240 K C -0.152 176.378 176.600 -0.117 0.000 1.002 240 K CA -0.540 55.681 56.287 -0.111 0.000 0.885 240 K CB 1.605 34.056 32.500 -0.080 0.000 1.136 240 K HN 0.091 nan 8.250 nan 0.000 0.448 241 S N 0.816 116.552 115.700 0.061 0.000 2.646 241 S HA 0.287 4.757 4.470 0.000 0.000 0.276 241 S C -0.628 174.011 174.600 0.065 0.000 1.222 241 S CA -0.712 57.562 58.200 0.124 0.000 1.014 241 S CB 1.009 64.322 63.200 0.188 0.000 0.991 241 S HN 0.404 nan 8.310 nan 0.000 0.533 242 E N 0.663 120.929 120.200 0.111 0.000 2.383 242 E HA 0.503 4.853 4.350 0.000 0.000 0.275 242 E C -1.176 175.463 176.600 0.064 0.000 0.918 242 E CA -0.843 55.619 56.400 0.104 0.000 0.764 242 E CB 2.241 32.062 29.700 0.202 0.000 1.252 242 E HN 0.640 nan 8.360 nan 0.000 0.449 243 K N -0.661 119.557 120.400 -0.303 0.000 2.548 243 K HA 0.451 4.771 4.320 0.000 0.000 0.282 243 K C -0.556 175.209 176.600 -1.392 0.000 1.006 243 K CA -0.921 54.952 56.287 -0.689 0.000 0.892 243 K CB 1.267 33.575 32.500 -0.319 0.000 1.499 243 K HN 0.596 nan 8.250 nan 0.000 0.433 244 C N 2.457 121.011 119.300 -1.245 0.000 2.538 244 C HA 0.166 4.626 4.460 0.000 0.000 0.408 244 C C 1.471 176.247 174.990 -0.357 0.000 1.421 244 C CA -0.293 58.263 59.018 -0.770 0.000 1.642 244 C CB -1.622 26.009 27.740 -0.182 0.000 2.553 244 C HN 0.786 nan 8.230 nan 0.000 0.604 245 I N 3.099 123.477 120.570 -0.320 0.000 3.891 245 I HA 0.362 4.532 4.170 0.000 0.000 0.331 245 I C 0.762 176.915 176.117 0.060 0.000 1.406 245 I CA -0.396 60.843 61.300 -0.102 0.000 1.139 245 I CB -0.656 37.192 38.000 -0.253 0.000 1.056 245 I HN 0.703 nan 8.210 nan 0.000 0.399 246 F N 1.852 121.737 119.950 -0.109 0.000 3.097 246 F HA -0.351 4.176 4.527 0.000 0.000 0.278 246 F C 1.133 176.836 175.800 -0.162 0.000 0.917 246 F CA 0.270 58.167 58.000 -0.172 0.000 0.962 246 F CB -1.747 36.966 39.000 -0.478 0.000 0.964 246 F HN 0.535 nan 8.300 nan 0.000 0.668 247 C N -0.276 118.844 119.300 -0.301 0.000 4.114 247 C HA -0.311 4.149 4.460 0.000 0.000 0.300 247 C C 2.070 176.966 174.990 -0.156 0.000 1.423 247 C CA 0.974 59.823 59.018 -0.282 0.000 2.034 247 C CB -3.086 24.557 27.740 -0.161 0.000 1.299 247 C HN 0.842 nan 8.230 nan 0.000 0.727 248 Y N -0.061 120.177 120.300 -0.103 0.000 2.298 248 Y HA -0.087 4.463 4.550 0.000 0.000 0.287 248 Y C -0.358 175.541 175.900 -0.002 0.000 1.164 248 Y CA 1.785 59.868 58.100 -0.028 0.000 1.229 248 Y CB -1.926 36.515 38.460 -0.033 0.000 0.977 248 Y HN 0.357 nan 8.280 nan 0.000 0.538 249 P HA -0.106 nan 4.420 nan 0.000 0.220 249 P C 1.037 178.356 177.300 0.032 0.000 1.148 249 P CA 2.072 65.156 63.100 -0.027 0.000 0.803 249 P CB 0.031 31.694 31.700 -0.061 0.000 0.782 250 R N -1.392 119.116 120.500 0.013 0.000 2.128 250 R HA 0.149 4.489 4.340 0.000 0.000 0.211 250 R C 2.111 178.411 176.300 -0.000 0.000 1.067 250 R CA 0.540 56.639 56.100 -0.001 0.000 1.010 250 R CB -0.642 29.641 30.300 -0.028 0.000 0.922 250 R HN 0.118 nan 8.270 nan 0.000 0.457 251 I N 1.963 122.541 120.570 0.014 0.000 2.335 251 I HA -0.226 3.944 4.170 0.000 0.000 0.251 251 I C 1.839 177.986 176.117 0.049 0.000 1.129 251 I CA 1.591 62.914 61.300 0.039 0.000 1.402 251 I CB -0.756 37.311 38.000 0.112 0.000 1.069 251 I HN 0.272 nan 8.210 nan 0.000 0.424 252 E N 0.795 121.038 120.200 0.072 0.000 2.153 252 E HA -0.164 4.186 4.350 0.000 0.000 0.194 252 E C 2.050 178.654 176.600 0.006 0.000 0.988 252 E CA 1.332 57.765 56.400 0.055 0.000 0.811 252 E CB -0.062 29.696 29.700 0.097 0.000 0.746 252 E HN 0.484 nan 8.360 nan 0.000 0.466 253 A N -0.232 122.590 122.820 0.003 0.000 2.251 253 A HA 0.304 4.624 4.320 0.000 0.000 0.209 253 A C 1.542 179.110 177.584 -0.027 0.000 1.187 253 A CA 0.735 52.761 52.037 -0.019 0.000 0.823 253 A CB 0.074 19.068 19.000 -0.010 0.000 0.846 253 A HN 0.312 nan 8.150 nan 0.000 0.486 254 G N -1.477 107.313 108.800 -0.017 0.000 2.134 254 G HA2 -0.170 3.790 3.960 0.000 0.000 0.209 254 G HA3 -0.170 3.790 3.960 0.000 0.000 0.209 254 G C -0.069 174.829 174.900 -0.003 0.000 0.993 254 G CA 0.241 45.335 45.100 -0.010 0.000 0.669 254 G HN 0.503 nan 8.290 nan 0.000 0.519 255 Q N 0.140 119.928 119.800 -0.020 0.000 2.215 255 Q HA 0.643 4.983 4.340 0.000 0.000 0.256 255 Q C -2.127 173.800 176.000 -0.121 0.000 0.972 255 Q CA -1.724 54.051 55.803 -0.048 0.000 0.889 255 Q CB 1.504 30.215 28.738 -0.045 0.000 1.281 255 Q HN 0.230 nan 8.270 nan 0.000 0.456 256 P HA 0.062 nan 4.420 nan 0.000 0.273 256 P C -0.726 176.367 177.300 -0.344 0.000 1.250 256 P CA -0.311 62.525 63.100 -0.440 0.000 0.793 256 P CB 0.382 31.484 31.700 -0.997 0.000 1.011 257 T N -2.743 111.575 114.554 -0.394 0.000 2.788 257 T HA 0.121 4.471 4.350 0.000 0.000 0.287 257 T C 1.285 175.847 174.700 -0.230 0.000 1.007 257 T CA -0.496 61.398 62.100 -0.342 0.000 1.005 257 T CB -0.062 68.493 68.868 -0.522 0.000 1.012 257 T HN 0.013 nan 8.240 nan 0.000 0.530 258 V N 0.923 120.774 119.914 -0.105 0.000 2.295 258 V HA -0.188 3.932 4.120 0.000 0.000 0.246 258 V C 3.112 179.171 176.094 -0.058 0.000 1.049 258 V CA 2.160 64.427 62.300 -0.056 0.000 1.024 258 V CB -1.243 30.596 31.823 0.027 0.000 0.648 258 V HN 1.181 nan 8.190 nan 0.000 0.447 259 C N -1.200 118.078 119.300 -0.038 0.000 2.449 259 C HA 0.023 4.483 4.460 0.000 0.000 0.283 259 C C 2.693 177.665 174.990 -0.030 0.000 1.453 259 C CA 0.424 59.438 59.018 -0.008 0.000 1.779 259 C CB -1.389 26.370 27.740 0.033 0.000 1.779 259 C HN 0.465 nan 8.230 nan 0.000 0.546 260 S N 0.777 116.410 115.700 -0.112 0.000 2.412 260 S HA -0.056 4.414 4.470 0.000 0.000 0.223 260 S C 1.883 176.402 174.600 -0.135 0.000 1.048 260 S CA 1.062 59.197 58.200 -0.109 0.000 0.954 260 S CB -0.342 62.701 63.200 -0.261 0.000 0.840 260 S HN 0.807 nan 8.310 nan 0.000 0.503 261 E N 1.111 121.137 120.200 -0.291 0.000 2.208 261 E HA -0.101 4.249 4.350 0.000 0.000 0.193 261 E C 1.563 178.172 176.600 0.014 0.000 0.988 261 E CA 1.422 57.711 56.400 -0.185 0.000 0.828 261 E CB 0.045 29.627 29.700 -0.197 0.000 0.763 261 E HN 0.599 nan 8.360 nan 0.000 0.478 262 T N -1.848 112.702 114.554 -0.007 0.000 3.107 262 T HA 0.058 4.408 4.350 0.000 0.000 0.249 262 T C 0.839 175.564 174.700 0.041 0.000 1.096 262 T CA -0.221 61.891 62.100 0.020 0.000 1.012 262 T CB -0.537 68.332 68.868 0.002 0.000 0.977 262 T HN 0.154 nan 8.240 nan 0.000 0.527 263 C N 3.003 122.338 119.300 0.059 0.000 2.667 263 C HA 0.306 4.766 4.460 0.000 0.000 0.392 263 C C 2.094 177.118 174.990 0.057 0.000 1.332 263 C CA -0.580 58.474 59.018 0.060 0.000 1.594 263 C CB -1.631 26.153 27.740 0.074 0.000 2.345 263 C HN 0.502 nan 8.230 nan 0.000 0.594 264 V N 6.379 126.319 119.914 0.042 0.000 2.490 264 V HA -0.078 4.042 4.120 0.000 0.000 0.250 264 V C 2.478 178.593 176.094 0.034 0.000 1.061 264 V CA 2.399 64.721 62.300 0.036 0.000 1.064 264 V CB -1.080 30.759 31.823 0.027 0.000 0.670 264 V HN 1.053 nan 8.190 nan 0.000 0.461 265 G N -0.499 108.323 108.800 0.037 0.000 2.534 265 G HA2 -0.144 3.816 3.960 0.000 0.000 0.217 265 G HA3 -0.144 3.816 3.960 0.000 0.000 0.217 265 G C 0.879 175.797 174.900 0.030 0.000 1.128 265 G CA 0.174 45.298 45.100 0.041 0.000 0.784 265 G HN 0.563 nan 8.290 nan 0.000 0.542 266 R N -0.877 119.630 120.500 0.013 0.000 3.336 266 R HA -0.202 4.138 4.340 0.000 0.000 0.260 266 R C 1.129 177.382 176.300 -0.077 0.000 1.032 266 R CA 0.898 56.964 56.100 -0.056 0.000 0.693 266 R CB -2.544 27.723 30.300 -0.054 0.000 1.134 266 R HN 0.688 nan 8.270 nan 0.000 0.433 267 I N -3.395 117.168 120.570 -0.012 0.000 4.187 267 I HA 0.151 4.321 4.170 0.000 0.000 0.326 267 I C 0.477 176.669 176.117 0.124 0.000 1.302 267 I CA -0.073 61.289 61.300 0.104 0.000 1.196 267 I CB 0.334 38.424 38.000 0.149 0.000 1.095 267 I HN 0.021 nan 8.210 nan 0.000 0.411 268 R N 1.392 121.885 120.500 -0.012 0.000 2.297 268 R HA 0.475 4.815 4.340 0.000 0.000 0.308 268 R C -1.662 174.561 176.300 -0.129 0.000 1.029 268 R CA -0.410 55.731 56.100 0.069 0.000 0.929 268 R CB 0.915 31.289 30.300 0.122 0.000 1.046 268 R HN 0.173 nan 8.270 nan 0.000 0.461 269 Y N 2.335 122.694 120.300 0.097 0.000 2.376 269 Y HA 0.399 4.949 4.550 0.000 0.000 0.340 269 Y C -0.057 175.922 175.900 0.132 0.000 0.965 269 Y CA -0.841 57.303 58.100 0.072 0.000 1.078 269 Y CB 1.827 40.317 38.460 0.049 0.000 1.193 269 Y HN 0.258 nan 8.280 nan 0.000 0.452 270 L N 3.239 124.642 121.223 0.298 0.000 2.325 270 L HA 0.879 5.219 4.340 0.000 0.000 0.281 270 L C 0.084 177.058 176.870 0.174 0.000 1.004 270 L CA -0.498 54.486 54.840 0.241 0.000 0.823 270 L CB 1.826 44.032 42.059 0.245 0.000 1.236 270 L HN 0.846 nan 8.230 nan 0.000 0.415 271 G N 2.048 110.909 108.800 0.102 0.000 2.704 271 G HA2 0.575 4.535 3.960 0.000 0.000 0.293 271 G HA3 0.575 4.535 3.960 0.000 0.000 0.293 271 G C -1.382 173.510 174.900 -0.015 0.000 1.421 271 G CA -0.536 44.593 45.100 0.048 0.000 0.870 271 G HN 0.203 nan 8.290 nan 0.000 0.492 272 V N 0.706 120.601 119.914 -0.031 0.000 2.732 272 V HA 0.505 4.625 4.120 0.000 0.000 0.297 272 V C 0.154 176.173 176.094 -0.126 0.000 1.060 272 V CA -0.174 62.087 62.300 -0.065 0.000 1.038 272 V CB 1.207 33.002 31.823 -0.046 0.000 1.003 272 V HN 0.531 nan 8.190 nan 0.000 0.481 273 L N 4.983 126.111 121.223 -0.158 0.000 2.436 273 L HA 0.551 4.891 4.340 0.000 0.000 0.268 273 L C -0.963 175.849 176.870 -0.098 0.000 0.974 273 L CA -0.487 54.205 54.840 -0.247 0.000 0.826 273 L CB 2.092 43.803 42.059 -0.580 0.000 1.291 273 L HN 0.435 nan 8.230 nan 0.000 0.406 274 L N 3.950 125.137 121.223 -0.061 0.000 2.295 274 L HA 0.521 4.861 4.340 0.000 0.000 0.285 274 L C -0.937 176.024 176.870 0.151 0.000 1.035 274 L CA -0.700 54.142 54.840 0.003 0.000 0.806 274 L CB 1.122 43.149 42.059 -0.053 0.000 1.214 274 L HN 0.474 nan 8.230 nan 0.000 0.426 275 Y N -0.437 119.893 120.300 0.050 0.000 2.581 275 Y HA 0.522 5.072 4.550 0.000 0.000 0.345 275 Y C -0.886 175.060 175.900 0.077 0.000 1.036 275 Y CA -1.586 56.600 58.100 0.143 0.000 1.042 275 Y CB 1.280 39.881 38.460 0.236 0.000 1.289 275 Y HN 0.420 nan 8.280 nan 0.000 0.471 276 D N 2.108 122.598 120.400 0.150 0.000 2.393 276 D HA 0.348 4.988 4.640 0.000 0.000 0.232 276 D C 0.935 177.299 176.300 0.107 0.000 1.192 276 D CA 0.341 54.360 54.000 0.032 0.000 0.882 276 D CB 1.424 42.251 40.800 0.045 0.000 1.038 276 D HN 0.856 nan 8.370 nan 0.000 0.499 277 A N 4.011 126.827 122.820 -0.007 0.000 1.948 277 A HA -0.218 4.102 4.320 0.000 0.000 0.220 277 A C 1.782 179.421 177.584 0.092 0.000 1.177 277 A CA 1.341 53.453 52.037 0.125 0.000 0.636 277 A CB -0.226 18.791 19.000 0.028 0.000 0.815 277 A HN 0.550 nan 8.150 nan 0.000 0.449 278 D N -0.554 119.867 120.400 0.036 0.000 2.350 278 D HA 0.065 4.705 4.640 0.000 0.000 0.216 278 D C 1.766 178.079 176.300 0.022 0.000 0.968 278 D CA 1.091 55.104 54.000 0.022 0.000 0.894 278 D CB -0.067 40.735 40.800 0.004 0.000 0.909 278 D HN 0.465 nan 8.370 nan 0.000 0.520 279 A N -0.310 122.533 122.820 0.037 0.000 2.267 279 A HA 0.128 4.448 4.320 0.000 0.000 0.213 279 A C 2.121 179.712 177.584 0.011 0.000 1.192 279 A CA -0.222 51.827 52.037 0.020 0.000 0.851 279 A CB -0.157 18.857 19.000 0.023 0.000 0.881 279 A HN 0.128 nan 8.150 nan 0.000 0.494 280 I N -0.135 120.457 120.570 0.036 0.000 2.145 280 I HA -0.304 3.866 4.170 0.000 0.000 0.244 280 I C 2.681 178.764 176.117 -0.057 0.000 1.075 280 I CA 1.913 63.218 61.300 0.008 0.000 1.332 280 I CB -0.098 37.928 38.000 0.043 0.000 1.033 280 I HN 0.427 nan 8.210 nan 0.000 0.410 281 E N 1.243 121.405 120.200 -0.063 0.000 2.031 281 E HA -0.243 4.107 4.350 0.000 0.000 0.193 281 E C 2.271 178.814 176.600 -0.095 0.000 0.994 281 E CA 1.374 57.709 56.400 -0.109 0.000 0.800 281 E CB -0.142 29.509 29.700 -0.082 0.000 0.752 281 E HN 0.331 nan 8.360 nan 0.000 0.447 282 R N 0.075 120.539 120.500 -0.060 0.000 2.122 282 R HA -0.214 4.126 4.340 0.000 0.000 0.236 282 R C 2.444 178.709 176.300 -0.059 0.000 1.129 282 R CA 2.079 58.148 56.100 -0.051 0.000 0.925 282 R CB -0.503 29.776 30.300 -0.035 0.000 0.850 282 R HN 0.216 nan 8.270 nan 0.000 0.431 283 A N 0.465 123.250 122.820 -0.058 0.000 1.873 283 A HA -0.202 4.118 4.320 0.000 0.000 0.218 283 A C 2.314 179.856 177.584 -0.069 0.000 1.193 283 A CA 2.141 54.140 52.037 -0.063 0.000 0.629 283 A CB -1.024 17.936 19.000 -0.067 0.000 0.826 283 A HN 0.581 nan 8.150 nan 0.000 0.447 284 A N -0.248 122.515 122.820 -0.095 0.000 2.121 284 A HA 0.062 4.382 4.320 0.000 0.000 0.218 284 A C 2.015 179.524 177.584 -0.125 0.000 1.154 284 A CA 1.819 53.782 52.037 -0.122 0.000 0.679 284 A CB -0.639 18.230 19.000 -0.219 0.000 0.795 284 A HN 1.093 nan 8.150 nan 0.000 0.458 285 S N -1.410 114.224 115.700 -0.110 0.000 2.574 285 S HA 0.190 4.660 4.470 0.000 0.000 0.242 285 S C 0.533 175.105 174.600 -0.046 0.000 0.982 285 S CA 0.305 58.455 58.200 -0.083 0.000 0.977 285 S CB -0.774 62.371 63.200 -0.092 0.000 0.814 285 S HN 0.332 nan 8.310 nan 0.000 0.464 286 T N 1.615 116.145 114.554 -0.040 0.000 2.928 286 T HA 0.101 4.451 4.350 0.000 0.000 0.305 286 T C 1.109 175.800 174.700 -0.015 0.000 1.035 286 T CA 0.100 62.184 62.100 -0.027 0.000 1.145 286 T CB 0.760 69.612 68.868 -0.026 0.000 0.963 286 T HN 0.586 nan 8.240 nan 0.000 0.545 287 E N 3.621 123.815 120.200 -0.011 0.000 2.033 287 E HA -0.207 4.143 4.350 0.000 0.000 0.199 287 E C 0.779 177.379 176.600 0.001 0.000 1.011 287 E CA 0.866 57.264 56.400 -0.004 0.000 0.815 287 E CB -0.005 29.693 29.700 -0.004 0.000 0.755 287 E HN 0.653 nan 8.360 nan 0.000 0.451 288 N N 0.755 119.455 118.700 -0.001 0.000 2.458 288 N HA -0.064 4.676 4.740 0.000 0.000 0.270 288 N C 0.418 175.931 175.510 0.005 0.000 1.102 288 N CA 0.224 53.276 53.050 0.002 0.000 0.967 288 N CB 1.139 39.627 38.487 0.001 0.000 1.078 288 N HN 0.303 nan 8.380 nan 0.000 0.471 289 E N 2.989 123.194 120.200 0.009 0.000 2.268 289 E HA -0.142 4.208 4.350 0.000 0.000 0.195 289 E C 0.497 177.101 176.600 0.007 0.000 0.995 289 E CA 1.001 57.408 56.400 0.012 0.000 0.836 289 E CB -0.013 29.697 29.700 0.017 0.000 0.763 289 E HN 0.514 nan 8.360 nan 0.000 0.491 290 K N 0.336 120.739 120.400 0.005 0.000 2.555 290 K HA -0.042 4.278 4.320 0.000 0.000 0.193 290 K C 0.495 177.113 176.600 0.031 0.000 1.032 290 K CA 0.675 56.967 56.287 0.008 0.000 1.004 290 K CB 0.241 32.742 32.500 0.003 0.000 0.804 290 K HN 0.178 nan 8.250 nan 0.000 0.496 291 D N 0.267 120.680 120.400 0.021 0.000 2.423 291 D HA 0.049 4.689 4.640 0.000 0.000 0.212 291 D C 1.717 178.023 176.300 0.011 0.000 1.060 291 D CA 0.154 54.162 54.000 0.014 0.000 0.872 291 D CB 0.205 41.002 40.800 -0.006 0.000 1.012 291 D HN 0.051 nan 8.370 nan 0.000 0.503 292 L N 0.721 121.957 121.223 0.021 0.000 2.089 292 L HA -0.265 4.075 4.340 0.000 0.000 0.213 292 L C 2.444 179.341 176.870 0.045 0.000 1.079 292 L CA 1.326 56.178 54.840 0.020 0.000 0.758 292 L CB -0.532 41.544 42.059 0.029 0.000 0.891 292 L HN 0.119 nan 8.230 nan 0.000 0.433 293 Y N 1.014 121.268 120.300 -0.077 0.000 2.036 293 Y HA -0.361 4.189 4.550 0.000 0.000 0.273 293 Y C 2.749 178.626 175.900 -0.039 0.000 1.135 293 Y CA 2.105 60.143 58.100 -0.103 0.000 1.106 293 Y CB -0.815 37.552 38.460 -0.154 0.000 0.976 293 Y HN 0.091 nan 8.280 nan 0.000 0.483 294 Q N 0.658 120.203 119.800 -0.425 0.000 2.112 294 Q HA -0.238 4.102 4.340 0.000 0.000 0.206 294 Q C 2.395 178.223 176.000 -0.286 0.000 0.987 294 Q CA 2.215 57.711 55.803 -0.513 0.000 0.858 294 Q CB -0.478 28.103 28.738 -0.262 0.000 0.905 294 Q HN 0.412 nan 8.270 nan 0.000 0.420 295 R N -0.212 120.189 120.500 -0.165 0.000 2.159 295 R HA -0.106 4.234 4.340 0.000 0.000 0.237 295 R C 2.085 178.292 176.300 -0.155 0.000 1.131 295 R CA 1.784 57.809 56.100 -0.124 0.000 0.982 295 R CB -0.218 30.038 30.300 -0.075 0.000 0.868 295 R HN 0.513 nan 8.270 nan 0.000 0.453 296 Q N -0.529 119.171 119.800 -0.167 0.000 2.163 296 Q HA -0.004 4.336 4.340 0.000 0.000 0.198 296 Q C 1.798 177.472 176.000 -0.543 0.000 0.954 296 Q CA 0.769 56.420 55.803 -0.253 0.000 0.851 296 Q CB 0.079 28.784 28.738 -0.055 0.000 0.928 296 Q HN 0.354 nan 8.270 nan 0.000 0.459 297 L N 0.996 121.987 121.223 -0.386 0.000 2.191 297 L HA -0.193 4.147 4.340 0.000 0.000 0.212 297 L C 1.231 177.927 176.870 -0.290 0.000 1.103 297 L CA 0.845 55.456 54.840 -0.381 0.000 0.769 297 L CB -0.184 41.724 42.059 -0.251 0.000 0.908 297 L HN 0.218 nan 8.230 nan 0.000 0.438 298 D N -1.073 119.185 120.400 -0.237 0.000 2.363 298 D HA -0.059 4.581 4.640 0.000 0.000 0.220 298 D C 2.001 178.250 176.300 -0.086 0.000 0.994 298 D CA 0.564 54.488 54.000 -0.126 0.000 0.890 298 D CB 0.411 41.148 40.800 -0.104 0.000 0.906 298 D HN 0.114 nan 8.370 nan 0.000 0.530 299 V N 0.156 119.972 119.914 -0.164 0.000 3.354 299 V HA 0.069 4.189 4.120 0.000 0.000 0.258 299 V C 0.793 176.994 176.094 0.179 0.000 1.159 299 V CA 0.214 62.498 62.300 -0.026 0.000 1.125 299 V CB -0.198 31.589 31.823 -0.059 0.000 0.774 299 V HN 0.077 nan 8.190 nan 0.000 0.464 300 F N 0.635 120.614 119.950 0.048 0.000 2.412 300 F HA 0.413 4.940 4.527 0.000 0.000 0.348 300 F C 0.118 175.970 175.800 0.087 0.000 1.102 300 F CA -0.605 57.436 58.000 0.068 0.000 1.196 300 F CB 0.677 39.677 39.000 0.001 0.000 1.144 300 F HN -0.035 nan 8.300 nan 0.000 0.541 301 L N 1.988 123.378 121.223 0.279 0.000 2.331 301 L HA 0.320 4.660 4.340 0.000 0.000 0.275 301 L C -0.293 176.640 176.870 0.105 0.000 1.022 301 L CA -1.065 53.864 54.840 0.150 0.000 0.812 301 L CB 1.155 43.251 42.059 0.061 0.000 1.257 301 L HN 0.465 nan 8.230 nan 0.000 0.435 302 D N 3.842 124.275 120.400 0.055 0.000 2.346 302 D HA 0.079 4.719 4.640 0.000 0.000 0.260 302 D C -1.493 174.688 176.300 -0.198 0.000 1.252 302 D CA -1.781 52.169 54.000 -0.084 0.000 0.895 302 D CB 1.308 42.109 40.800 0.002 0.000 1.097 302 D HN 0.261 nan 8.370 nan 0.000 0.489 303 P HA -0.059 nan 4.420 nan 0.000 0.234 303 P C 0.140 177.323 177.300 -0.194 0.000 1.167 303 P CA 0.705 63.641 63.100 -0.273 0.000 0.763 303 P CB 0.381 31.867 31.700 -0.357 0.000 0.835 304 N N -0.774 117.816 118.700 -0.183 0.000 2.322 304 N HA -0.007 4.733 4.740 0.000 0.000 0.181 304 N C 0.435 175.901 175.510 -0.073 0.000 1.088 304 N CA -0.187 52.795 53.050 -0.114 0.000 0.885 304 N CB -0.060 38.366 38.487 -0.102 0.000 1.013 304 N HN -0.011 nan 8.380 nan 0.000 0.472 305 D N 1.884 122.242 120.400 -0.069 0.000 2.382 305 D HA 0.012 4.652 4.640 0.000 0.000 0.259 305 D C -1.448 174.827 176.300 -0.041 0.000 1.224 305 D CA -1.997 51.978 54.000 -0.042 0.000 0.894 305 D CB 1.136 41.918 40.800 -0.030 0.000 1.127 305 D HN 0.141 nan 8.370 nan 0.000 0.487 306 P HA -0.170 nan 4.420 nan 0.000 0.225 306 P C 1.181 178.463 177.300 -0.029 0.000 1.148 306 P CA 0.842 63.923 63.100 -0.031 0.000 0.779 306 P CB 0.414 32.099 31.700 -0.024 0.000 0.780 307 K N 0.300 120.684 120.400 -0.025 0.000 2.057 307 K HA -0.066 4.254 4.320 0.000 0.000 0.206 307 K C 1.958 178.542 176.600 -0.028 0.000 1.050 307 K CA 1.110 57.384 56.287 -0.023 0.000 0.935 307 K CB -0.320 32.169 32.500 -0.017 0.000 0.715 307 K HN -0.093 nan 8.250 nan 0.000 0.439 308 V N 1.676 121.571 119.914 -0.032 0.000 2.358 308 V HA -0.233 3.887 4.120 0.000 0.000 0.246 308 V C 2.274 178.339 176.094 -0.048 0.000 1.047 308 V CA 1.565 63.842 62.300 -0.039 0.000 1.035 308 V CB -0.296 31.501 31.823 -0.044 0.000 0.658 308 V HN 0.318 nan 8.190 nan 0.000 0.452 309 I N 0.052 120.592 120.570 -0.050 0.000 2.163 309 I HA -0.295 3.875 4.170 0.000 0.000 0.243 309 I C 2.543 178.633 176.117 -0.044 0.000 1.085 309 I CA 1.878 63.147 61.300 -0.051 0.000 1.347 309 I CB -0.454 37.517 38.000 -0.048 0.000 1.044 309 I HN 0.413 nan 8.210 nan 0.000 0.408 310 E N 0.111 120.288 120.200 -0.038 0.000 2.106 310 E HA -0.287 4.063 4.350 0.000 0.000 0.192 310 E C 2.089 178.667 176.600 -0.036 0.000 0.984 310 E CA 1.054 57.434 56.400 -0.034 0.000 0.806 310 E CB -0.083 29.600 29.700 -0.028 0.000 0.750 310 E HN 0.399 nan 8.360 nan 0.000 0.458 311 Q N 0.930 120.706 119.800 -0.038 0.000 2.123 311 Q HA -0.043 4.297 4.340 0.000 0.000 0.199 311 Q C 1.933 177.903 176.000 -0.050 0.000 0.966 311 Q CA 1.514 57.292 55.803 -0.041 0.000 0.845 311 Q CB -0.181 28.533 28.738 -0.040 0.000 0.907 311 Q HN 0.207 nan 8.270 nan 0.000 0.439 312 A N 0.536 123.323 122.820 -0.056 0.000 1.877 312 A HA -0.142 4.178 4.320 0.000 0.000 0.216 312 A C 2.128 179.677 177.584 -0.059 0.000 1.186 312 A CA 1.515 53.513 52.037 -0.065 0.000 0.620 312 A CB -0.774 18.185 19.000 -0.067 0.000 0.822 312 A HN 0.486 nan 8.150 nan 0.000 0.443 313 I N -0.519 120.020 120.570 -0.052 0.000 2.179 313 I HA -0.271 3.899 4.170 0.000 0.000 0.242 313 I C 2.574 178.663 176.117 -0.047 0.000 1.088 313 I CA 1.895 63.165 61.300 -0.050 0.000 1.357 313 I CB -0.299 37.674 38.000 -0.044 0.000 1.051 313 I HN 0.385 nan 8.210 nan 0.000 0.409 314 K N 0.682 121.056 120.400 -0.043 0.000 2.211 314 K HA -0.218 4.102 4.320 0.000 0.000 0.204 314 K C 0.752 177.327 176.600 -0.042 0.000 1.047 314 K CA 1.617 57.881 56.287 -0.039 0.000 0.935 314 K CB -0.010 32.469 32.500 -0.035 0.000 0.728 314 K HN 0.228 nan 8.250 nan 0.000 0.452 315 D N -0.915 119.455 120.400 -0.050 0.000 2.325 315 D HA 0.118 4.758 4.640 0.000 0.000 0.225 315 D C 0.700 176.966 176.300 -0.055 0.000 1.096 315 D CA 0.760 54.727 54.000 -0.054 0.000 0.844 315 D CB 0.748 41.508 40.800 -0.067 0.000 0.925 315 D HN 0.476 nan 8.370 nan 0.000 0.513 316 G N 0.346 109.114 108.800 -0.053 0.000 2.175 316 G HA2 -0.245 3.715 3.960 0.000 0.000 0.244 316 G HA3 -0.245 3.715 3.960 0.000 0.000 0.244 316 G C 0.281 175.145 174.900 -0.060 0.000 0.982 316 G CA -0.373 44.695 45.100 -0.053 0.000 0.641 316 G HN 0.259 nan 8.290 nan 0.000 0.527 317 I N 2.216 122.748 120.570 -0.063 0.000 2.517 317 I HA 0.225 4.395 4.170 0.000 0.000 0.285 317 I C -1.506 174.567 176.117 -0.073 0.000 1.106 317 I CA -2.201 59.063 61.300 -0.060 0.000 1.402 317 I CB -0.045 37.918 38.000 -0.061 0.000 1.399 317 I HN -0.088 nan 8.210 nan 0.000 0.535 318 P HA 0.104 nan 4.420 nan 0.000 0.269 318 P C 1.069 178.316 177.300 -0.087 0.000 1.217 318 P CA -0.203 62.797 63.100 -0.166 0.000 0.783 318 P CB 0.756 32.267 31.700 -0.316 0.000 0.898 319 L N 0.980 122.150 121.223 -0.088 0.000 2.141 319 L HA -0.180 4.160 4.340 0.000 0.000 0.209 319 L C 2.336 179.207 176.870 0.000 0.000 1.094 319 L CA 1.945 56.761 54.840 -0.040 0.000 0.763 319 L CB -0.909 41.127 42.059 -0.037 0.000 0.908 319 L HN 0.457 nan 8.230 nan 0.000 0.437 320 S N -0.835 114.894 115.700 0.048 0.000 2.402 320 S HA -0.112 4.358 4.470 0.000 0.000 0.229 320 S C 1.926 176.571 174.600 0.075 0.000 1.021 320 S CA 0.969 59.227 58.200 0.097 0.000 0.974 320 S CB -0.658 62.669 63.200 0.211 0.000 0.800 320 S HN 0.155 nan 8.310 nan 0.000 0.484 321 V N 2.190 122.150 119.914 0.076 0.000 2.307 321 V HA -0.108 4.012 4.120 0.000 0.000 0.245 321 V C 2.486 178.579 176.094 -0.002 0.000 1.045 321 V CA 1.907 64.233 62.300 0.043 0.000 1.024 321 V CB -0.714 31.133 31.823 0.040 0.000 0.651 321 V HN 0.491 nan 8.190 nan 0.000 0.449 322 I N 0.317 120.876 120.570 -0.019 0.000 2.163 322 I HA -0.272 3.898 4.170 0.000 0.000 0.243 322 I C 2.621 178.710 176.117 -0.046 0.000 1.085 322 I CA 2.014 63.287 61.300 -0.045 0.000 1.347 322 I CB -0.393 37.578 38.000 -0.049 0.000 1.044 322 I HN 0.402 nan 8.210 nan 0.000 0.408 323 E N 1.700 121.886 120.200 -0.024 0.000 2.110 323 E HA -0.218 4.132 4.350 0.000 0.000 0.193 323 E C 2.025 178.614 176.600 -0.018 0.000 0.988 323 E CA 1.744 58.133 56.400 -0.019 0.000 0.804 323 E CB -0.178 29.523 29.700 0.001 0.000 0.745 323 E HN 0.428 nan 8.360 nan 0.000 0.458 324 A N 0.756 123.572 122.820 -0.008 0.000 1.930 324 A HA 0.082 4.402 4.320 0.000 0.000 0.217 324 A C 2.454 180.019 177.584 -0.032 0.000 1.175 324 A CA 1.731 53.767 52.037 -0.002 0.000 0.627 324 A CB -0.928 18.081 19.000 0.015 0.000 0.815 324 A HN 0.421 nan 8.150 nan 0.000 0.443 325 A N -0.576 122.205 122.820 -0.064 0.000 1.933 325 A HA -0.205 4.115 4.320 0.000 0.000 0.218 325 A C 2.021 179.502 177.584 -0.173 0.000 1.175 325 A CA 1.574 53.539 52.037 -0.120 0.000 0.628 325 A CB -0.540 18.375 19.000 -0.142 0.000 0.814 325 A HN 0.635 nan 8.150 nan 0.000 0.444 326 Q N -0.658 119.058 119.800 -0.140 0.000 2.439 326 Q HA -0.157 4.183 4.340 0.000 0.000 0.211 326 Q C 1.016 176.956 176.000 -0.101 0.000 0.978 326 Q CA 1.360 57.074 55.803 -0.148 0.000 0.897 326 Q CB -0.042 28.637 28.738 -0.098 0.000 0.956 326 Q HN 0.979 nan 8.270 nan 0.000 0.483 327 Q N -1.176 118.592 119.800 -0.053 0.000 2.084 327 Q HA 0.252 4.592 4.340 0.000 0.000 0.230 327 Q C -0.276 175.746 176.000 0.036 0.000 0.806 327 Q CA -0.232 55.577 55.803 0.010 0.000 1.083 327 Q CB 0.816 29.584 28.738 0.051 0.000 1.208 327 Q HN -0.092 nan 8.270 nan 0.000 0.462 328 S N 2.779 118.466 115.700 -0.022 0.000 2.510 328 S HA 0.162 4.632 4.470 0.000 0.000 0.279 328 S C -1.310 173.275 174.600 -0.024 0.000 1.284 328 S CA -1.140 57.058 58.200 -0.003 0.000 1.059 328 S CB 0.830 64.004 63.200 -0.043 0.000 0.901 328 S HN 0.205 nan 8.310 nan 0.000 0.491 329 P HA -0.040 nan 4.420 nan 0.000 0.222 329 P C 1.538 178.744 177.300 -0.157 0.000 1.153 329 P CA 0.575 63.648 63.100 -0.046 0.000 0.798 329 P CB -0.028 31.850 31.700 0.297 0.000 0.796 330 V N -0.415 119.456 119.914 -0.071 0.000 2.343 330 V HA -0.254 3.866 4.120 0.000 0.000 0.247 330 V C 2.619 178.578 176.094 -0.224 0.000 1.051 330 V CA 1.841 64.062 62.300 -0.133 0.000 1.036 330 V CB -1.540 30.203 31.823 -0.133 0.000 0.654 330 V HN 0.002 nan 8.190 nan 0.000 0.451 331 Y N 1.016 121.125 120.300 -0.317 0.000 2.242 331 Y HA -0.187 4.363 4.550 0.000 0.000 0.291 331 Y C 2.466 178.118 175.900 -0.414 0.000 1.137 331 Y CA 1.692 59.591 58.100 -0.336 0.000 1.181 331 Y CB -0.084 38.204 38.460 -0.286 0.000 0.989 331 Y HN 0.181 nan 8.280 nan 0.000 0.527 332 K N -0.515 119.610 120.400 -0.458 0.000 2.097 332 K HA -0.154 4.167 4.320 0.000 0.000 0.205 332 K C 2.017 177.928 176.600 -1.147 0.000 1.050 332 K CA 1.814 57.489 56.287 -1.020 0.000 0.938 332 K CB -0.198 31.392 32.500 -1.517 0.000 0.718 332 K HN 0.396 nan 8.250 nan 0.000 0.442 333 M N -0.100 119.108 119.600 -0.652 0.000 2.349 333 M HA -0.028 4.452 4.480 0.000 0.000 0.266 333 M C 2.161 178.429 176.300 -0.054 0.000 1.076 333 M CA 0.971 56.156 55.300 -0.192 0.000 1.126 333 M CB 0.107 32.667 32.600 -0.066 0.000 1.392 333 M HN 0.185 nan 8.290 nan 0.000 0.440 334 A N -0.514 122.217 122.820 -0.148 0.000 1.956 334 A HA 0.078 4.398 4.320 0.000 0.000 0.212 334 A C 2.017 179.564 177.584 -0.062 0.000 1.188 334 A CA 0.677 52.728 52.037 0.024 0.000 0.675 334 A CB 0.046 18.959 19.000 -0.145 0.000 0.845 334 A HN 0.262 nan 8.150 nan 0.000 0.455 335 M N -0.520 118.842 119.600 -0.397 0.000 2.557 335 M HA 0.118 4.598 4.480 0.000 0.000 0.262 335 M C 1.833 177.932 176.300 -0.337 0.000 1.168 335 M CA 1.021 56.037 55.300 -0.472 0.000 1.194 335 M CB -1.193 30.732 32.600 -1.126 0.000 1.311 335 M HN 0.468 nan 8.290 nan 0.000 0.489 336 E N -0.468 119.471 120.200 -0.435 0.000 2.005 336 E HA -0.154 4.196 4.350 0.000 0.000 0.191 336 E C 1.890 178.460 176.600 -0.050 0.000 0.987 336 E CA 1.081 57.312 56.400 -0.281 0.000 0.814 336 E CB -0.078 29.324 29.700 -0.497 0.000 0.772 336 E HN 0.466 nan 8.360 nan 0.000 0.453 337 W N 0.456 121.718 121.300 -0.063 0.000 2.584 337 W HA 0.079 4.739 4.660 0.000 0.000 0.264 337 W C 0.277 176.795 176.519 -0.003 0.000 1.264 337 W CA 0.157 57.479 57.345 -0.037 0.000 1.306 337 W CB -0.102 29.326 29.460 -0.053 0.000 1.110 337 W HN 0.027 nan 8.180 nan 0.000 0.606 338 K N -0.206 120.311 120.400 0.195 0.000 3.125 338 K HA -0.205 4.115 4.320 0.000 0.000 0.268 338 K C 0.602 177.323 176.600 0.203 0.000 1.078 338 K CA 0.713 57.120 56.287 0.200 0.000 0.775 338 K CB -2.228 30.379 32.500 0.178 0.000 1.253 338 K HN 0.330 nan 8.250 nan 0.000 0.486 339 L N -1.150 120.205 121.223 0.219 0.000 2.298 339 L HA 0.158 4.498 4.340 0.000 0.000 0.209 339 L C 1.186 178.155 176.870 0.164 0.000 1.084 339 L CA 0.692 55.637 54.840 0.174 0.000 0.816 339 L CB 0.074 42.246 42.059 0.189 0.000 0.967 339 L HN 0.282 nan 8.230 nan 0.000 0.460 340 A N 1.121 124.078 122.820 0.227 0.000 2.309 340 A HA 0.684 5.004 4.320 0.000 0.000 0.298 340 A C -0.570 177.226 177.584 0.354 0.000 1.165 340 A CA -0.205 52.013 52.037 0.302 0.000 0.821 340 A CB 0.460 19.679 19.000 0.363 0.000 1.102 340 A HN 0.165 nan 8.150 nan 0.000 0.500 341 L N 3.462 124.740 121.223 0.092 0.000 2.354 341 L HA 0.535 4.875 4.340 0.000 0.000 0.264 341 L C -2.269 174.157 176.870 -0.739 0.000 1.008 341 L CA -2.325 52.259 54.840 -0.427 0.000 0.819 341 L CB 2.764 44.551 42.059 -0.454 0.000 1.339 341 L HN 0.509 nan 8.230 nan 0.000 0.420 342 P HA 0.048 nan 4.420 nan 0.000 0.272 342 P C -1.008 176.053 177.300 -0.397 0.000 1.230 342 P CA -0.435 61.952 63.100 -1.188 0.000 0.788 342 P CB 1.295 32.389 31.700 -1.011 0.000 0.949 343 L N 4.358 125.550 121.223 -0.051 0.000 2.265 343 L HA 0.268 4.608 4.340 0.000 0.000 0.288 343 L C 0.395 177.295 176.870 0.049 0.000 1.058 343 L CA -0.110 54.745 54.840 0.025 0.000 0.809 343 L CB -1.188 41.075 42.059 0.341 0.000 1.179 343 L HN 0.424 nan 8.230 nan 0.000 0.429 344 H N 5.167 124.129 119.070 -0.179 0.000 2.592 344 H HA -0.122 4.434 4.556 0.000 0.000 0.323 344 H C -1.657 173.408 175.328 -0.439 0.000 1.117 344 H CA 0.780 56.535 56.048 -0.488 0.000 1.120 344 H CB -0.836 28.317 29.762 -1.015 0.000 1.561 344 H HN 0.636 nan 8.280 nan 0.000 0.409 345 P HA -0.198 nan 4.420 nan 0.000 0.218 345 P C 1.436 178.718 177.300 -0.029 0.000 1.146 345 P CA 1.610 64.673 63.100 -0.062 0.000 0.813 345 P CB 0.212 31.863 31.700 -0.082 0.000 0.778 346 E N -0.731 119.412 120.200 -0.094 0.000 2.510 346 E HA -0.185 4.165 4.350 0.000 0.000 0.202 346 E C 0.876 177.581 176.600 0.175 0.000 1.072 346 E CA 0.850 57.256 56.400 0.009 0.000 0.883 346 E CB -0.908 28.793 29.700 0.000 0.000 0.818 346 E HN 0.302 nan 8.360 nan 0.000 0.548 347 Y N 1.127 121.482 120.300 0.092 0.000 2.546 347 Y HA 0.242 4.792 4.550 0.000 0.000 0.287 347 Y C 0.870 176.909 175.900 0.232 0.000 1.158 347 Y CA -0.081 58.084 58.100 0.109 0.000 1.307 347 Y CB -0.125 38.361 38.460 0.044 0.000 1.036 347 Y HN 0.020 nan 8.280 nan 0.000 0.532 348 R N -0.693 119.993 120.500 0.309 0.000 3.776 348 R HA -0.188 4.152 4.340 0.000 0.000 0.312 348 R C 0.928 177.356 176.300 0.214 0.000 1.181 348 R CA 0.965 57.181 56.100 0.193 0.000 0.836 348 R CB -2.598 27.775 30.300 0.122 0.000 1.324 348 R HN 0.470 nan 8.270 nan 0.000 0.501 349 T N -2.309 112.458 114.554 0.356 0.000 3.044 349 T HA 0.279 4.629 4.350 0.000 0.000 0.250 349 T C 0.816 175.657 174.700 0.234 0.000 1.081 349 T CA 0.284 62.608 62.100 0.373 0.000 1.040 349 T CB 0.245 69.414 68.868 0.502 0.000 0.962 349 T HN 0.341 nan 8.240 nan 0.000 0.506 350 L N 0.901 122.248 121.223 0.206 0.000 3.573 350 L HA -0.063 4.277 4.340 0.000 0.000 0.578 350 L C -2.370 174.645 176.870 0.242 0.000 1.299 350 L CA -0.594 54.354 54.840 0.180 0.000 0.914 350 L CB -1.656 40.446 42.059 0.073 0.000 1.563 350 L HN 0.314 nan 8.230 nan 0.000 0.860 351 P HA -0.023 nan 4.420 nan 0.000 0.267 351 P C 0.465 178.017 177.300 0.419 0.000 1.200 351 P CA 0.031 63.311 63.100 0.300 0.000 0.772 351 P CB 0.846 32.726 31.700 0.300 0.000 0.855 352 M N 1.455 121.197 119.600 0.235 0.000 2.356 352 M HA 0.137 4.617 4.480 0.000 0.000 0.262 352 M C -0.105 176.269 176.300 0.125 0.000 1.097 352 M CA -0.116 55.262 55.300 0.130 0.000 0.991 352 M CB -0.014 32.565 32.600 -0.034 0.000 1.450 352 M HN 0.021 nan 8.290 nan 0.000 0.495 353 V N 0.950 121.035 119.914 0.284 0.000 2.304 353 V HA 0.285 4.405 4.120 0.000 0.000 0.278 353 V C -0.914 175.400 176.094 0.367 0.000 1.018 353 V CA -0.743 61.681 62.300 0.208 0.000 0.814 353 V CB 1.168 33.066 31.823 0.126 0.000 1.021 353 V HN 0.288 nan 8.190 nan 0.000 0.440 354 W N 3.698 124.945 121.300 -0.088 0.000 2.415 354 W HA 0.707 5.367 4.660 0.000 0.000 0.355 354 W C -0.493 175.880 176.519 -0.242 0.000 1.161 354 W CA -1.334 55.999 57.345 -0.020 0.000 1.315 354 W CB 0.766 30.271 29.460 0.075 0.000 1.261 354 W HN 0.388 nan 8.180 nan 0.000 0.636 355 Y N -0.352 120.081 120.300 0.222 0.000 2.477 355 Y HA 0.498 5.048 4.550 0.000 0.000 0.347 355 Y C -0.259 175.700 175.900 0.099 0.000 0.981 355 Y CA -1.383 56.802 58.100 0.143 0.000 1.033 355 Y CB 1.403 39.909 38.460 0.078 0.000 1.245 355 Y HN -0.117 nan 8.280 nan 0.000 0.455 356 V N 5.746 125.811 119.914 0.252 0.000 2.364 356 V HA 0.311 4.431 4.120 0.000 0.000 0.272 356 V C -2.051 174.132 176.094 0.149 0.000 1.036 356 V CA -2.127 60.272 62.300 0.164 0.000 0.880 356 V CB 0.977 32.882 31.823 0.136 0.000 0.991 356 V HN 0.537 nan 8.190 nan 0.000 0.460 357 P HA 0.174 nan 4.420 nan 0.000 0.268 357 P C -2.685 174.651 177.300 0.061 0.000 1.208 357 P CA -1.157 61.976 63.100 0.054 0.000 0.777 357 P CB 0.117 31.816 31.700 -0.002 0.000 0.875 358 P HA 0.305 nan 4.420 nan 0.000 0.286 358 P C -0.304 177.009 177.300 0.022 0.000 1.261 358 P CA -0.269 62.863 63.100 0.054 0.000 0.821 358 P CB 1.128 32.865 31.700 0.061 0.000 1.013 359 L N 1.457 122.698 121.223 0.029 0.000 2.448 359 L HA 0.554 4.894 4.340 0.000 0.000 0.258 359 L C 1.018 177.892 176.870 0.007 0.000 1.104 359 L CA -0.216 54.632 54.840 0.013 0.000 0.800 359 L CB 1.044 43.119 42.059 0.026 0.000 1.241 359 L HN 0.613 nan 8.230 nan 0.000 0.472 360 S N -1.263 114.434 115.700 -0.004 0.000 2.643 360 S HA 0.586 5.056 4.470 0.000 0.000 0.270 360 S C -2.935 171.665 174.600 -0.000 0.000 1.166 360 S CA -1.281 56.916 58.200 -0.005 0.000 0.815 360 S CB 1.260 64.441 63.200 -0.033 0.000 1.139 360 S HN 0.252 nan 8.310 nan 0.000 0.472 361 P HA 0.305 nan 4.420 nan 0.000 0.269 361 P C 0.035 177.335 177.300 0.000 0.000 1.215 361 P CA -0.593 62.511 63.100 0.006 0.000 0.780 361 P CB 0.077 31.780 31.700 0.005 0.000 0.898 362 I N -0.732 119.841 120.570 0.004 0.000 2.993 362 I HA 0.074 4.244 4.170 0.000 0.000 0.286 362 I C 0.730 176.849 176.117 0.004 0.000 1.215 362 I CA -0.678 60.624 61.300 0.003 0.000 1.393 362 I CB 0.128 38.133 38.000 0.007 0.000 1.371 362 I HN 0.413 nan 8.210 nan 0.000 0.602 363 Q N 3.541 123.344 119.800 0.006 0.000 2.526 363 Q HA 0.291 4.631 4.340 0.000 0.000 0.207 363 Q C -0.542 175.465 176.000 0.011 0.000 1.078 363 Q CA -0.794 55.018 55.803 0.015 0.000 1.041 363 Q CB 0.364 29.116 28.738 0.025 0.000 1.228 363 Q HN 0.744 nan 8.270 nan 0.000 0.603 364 S N -0.072 115.635 115.700 0.012 0.000 2.523 364 S HA 0.592 5.062 4.470 0.000 0.000 0.275 364 S C -0.669 173.935 174.600 0.007 0.000 1.281 364 S CA -0.377 57.827 58.200 0.007 0.000 1.050 364 S CB 1.045 64.247 63.200 0.004 0.000 0.937 364 S HN 0.663 nan 8.310 nan 0.000 0.492 365 A N 1.885 124.709 122.820 0.007 0.000 2.430 365 A HA 0.860 5.180 4.320 0.000 0.000 0.300 365 A C 0.985 178.573 177.584 0.007 0.000 1.124 365 A CA -0.292 51.748 52.037 0.006 0.000 0.766 365 A CB 0.497 19.501 19.000 0.006 0.000 1.328 365 A HN 0.832 nan 8.150 nan 0.000 0.424 366 A N 0.314 123.137 122.820 0.005 0.000 1.892 366 A HA 0.011 4.331 4.320 0.000 0.000 0.218 366 A C 0.824 178.413 177.584 0.007 0.000 1.188 366 A CA 2.483 54.523 52.037 0.005 0.000 0.631 366 A CB -0.949 18.053 19.000 0.003 0.000 0.822 366 A HN 1.011 nan 8.150 nan 0.000 0.447 367 D N -3.525 116.879 120.400 0.007 0.000 2.616 367 D HA 0.599 5.239 4.640 0.000 0.000 0.260 367 D C 0.571 176.877 176.300 0.009 0.000 1.158 367 D CA -0.086 53.919 54.000 0.008 0.000 1.085 367 D CB 0.799 41.603 40.800 0.007 0.000 1.222 367 D HN 0.064 nan 8.370 nan 0.000 0.626 368 A N -0.760 122.065 122.820 0.010 0.000 2.239 368 A HA 0.496 4.816 4.320 0.000 0.000 0.209 368 A C 1.281 178.872 177.584 0.011 0.000 1.171 368 A CA 0.724 52.767 52.037 0.011 0.000 0.768 368 A CB -1.598 17.409 19.000 0.011 0.000 0.790 368 A HN 1.267 nan 8.150 nan 0.000 0.478 369 G N -1.226 107.579 108.800 0.010 0.000 2.756 369 G HA2 0.024 3.984 3.960 0.000 0.000 0.678 369 G HA3 0.024 3.984 3.960 0.000 0.000 0.678 369 G C -0.801 174.105 174.900 0.010 0.000 1.349 369 G CA -0.244 44.862 45.100 0.010 0.000 0.847 369 G HN 0.341 nan 8.290 nan 0.000 0.548 370 E N -1.101 119.105 120.200 0.010 0.000 2.378 370 E HA 0.578 4.928 4.350 0.000 0.000 0.265 370 E C 0.173 176.782 176.600 0.014 0.000 0.932 370 E CA -0.960 55.446 56.400 0.011 0.000 0.795 370 E CB 1.428 31.133 29.700 0.009 0.000 1.296 370 E HN 0.544 nan 8.360 nan 0.000 0.438 371 L N 1.770 123.002 121.223 0.016 0.000 2.385 371 L HA 0.289 4.629 4.340 0.000 0.000 0.281 371 L C 1.043 177.924 176.870 0.019 0.000 1.106 371 L CA -0.206 54.647 54.840 0.022 0.000 0.856 371 L CB 0.188 42.261 42.059 0.024 0.000 1.186 371 L HN 0.483 nan 8.230 nan 0.000 0.453 372 G N 1.465 110.276 108.800 0.020 0.000 2.509 372 G HA2 0.124 4.084 3.960 0.000 0.000 0.269 372 G HA3 0.124 4.084 3.960 0.000 0.000 0.269 372 G C 0.841 175.744 174.900 0.006 0.000 1.416 372 G CA -0.379 44.727 45.100 0.010 0.000 1.052 372 G HN 0.578 nan 8.290 nan 0.000 0.542 373 S N 0.272 115.962 115.700 -0.017 0.000 2.465 373 S HA -0.086 4.384 4.470 0.000 0.000 0.241 373 S C 1.348 175.889 174.600 -0.098 0.000 1.000 373 S CA 0.830 58.998 58.200 -0.054 0.000 0.964 373 S CB -0.114 63.044 63.200 -0.069 0.000 0.763 373 S HN 0.501 nan 8.310 nan 0.000 0.512 374 N N 0.382 119.070 118.700 -0.020 0.000 2.234 374 N HA 0.295 5.035 4.740 0.000 0.000 0.227 374 N C 1.028 176.686 175.510 0.247 0.000 1.151 374 N CA 0.611 53.715 53.050 0.090 0.000 0.865 374 N CB 0.783 39.321 38.487 0.083 0.000 1.066 374 N HN 0.385 nan 8.380 nan 0.000 0.515 375 G N 2.276 111.161 108.800 0.141 0.000 2.523 375 G HA2 -0.347 3.613 3.960 0.000 0.000 0.271 375 G HA3 -0.347 3.613 3.960 0.000 0.000 0.271 375 G C 0.908 175.848 174.900 0.066 0.000 1.146 375 G CA 0.264 45.426 45.100 0.105 0.000 0.961 375 G HN 0.308 nan 8.290 nan 0.000 0.549 376 I N 0.103 120.703 120.570 0.051 0.000 2.876 376 I HA 0.403 4.573 4.170 0.000 0.000 0.264 376 I C 1.428 177.568 176.117 0.039 0.000 1.204 376 I CA 0.091 61.412 61.300 0.035 0.000 1.485 376 I CB -0.364 37.649 38.000 0.021 0.000 1.103 376 I HN 0.315 nan 8.210 nan 0.000 0.446 377 L N 1.872 123.128 121.223 0.055 0.000 2.464 377 L HA 0.309 4.649 4.340 0.000 0.000 0.264 377 L C -2.054 174.848 176.870 0.052 0.000 1.199 377 L CA -1.708 53.166 54.840 0.057 0.000 0.818 377 L CB -0.448 41.659 42.059 0.080 0.000 1.102 377 L HN -0.085 nan 8.230 nan 0.000 0.473 378 P HA 0.162 nan 4.420 nan 0.000 0.274 378 P C -1.554 175.761 177.300 0.024 0.000 1.246 378 P CA -0.363 62.754 63.100 0.028 0.000 0.795 378 P CB 0.578 32.290 31.700 0.021 0.000 1.006 379 D N -0.733 119.674 120.400 0.012 0.000 2.185 379 D HA 0.117 4.757 4.640 0.000 0.000 0.247 379 D C 1.131 177.430 176.300 -0.001 0.000 1.027 379 D CA -0.550 53.452 54.000 0.002 0.000 0.861 379 D CB 1.315 42.113 40.800 -0.003 0.000 1.202 379 D HN -0.015 nan 8.370 nan 0.000 0.453 380 V N 2.226 122.136 119.914 -0.006 0.000 2.370 380 V HA -0.300 3.820 4.120 0.000 0.000 0.252 380 V C 1.438 177.524 176.094 -0.013 0.000 1.068 380 V CA 2.098 64.392 62.300 -0.010 0.000 1.061 380 V CB -0.226 31.590 31.823 -0.012 0.000 0.656 380 V HN 0.514 nan 8.190 nan 0.000 0.455 381 E N 0.440 120.634 120.200 -0.010 0.000 2.153 381 E HA -0.127 4.223 4.350 0.000 0.000 0.194 381 E C 2.230 178.826 176.600 -0.007 0.000 0.988 381 E CA 1.586 57.981 56.400 -0.008 0.000 0.811 381 E CB -0.335 29.362 29.700 -0.005 0.000 0.746 381 E HN 0.647 nan 8.360 nan 0.000 0.466 382 S N 0.105 115.802 115.700 -0.005 0.000 2.603 382 S HA 0.111 4.581 4.470 0.000 0.000 0.220 382 S C 0.516 175.111 174.600 -0.007 0.000 0.967 382 S CA -0.074 58.125 58.200 -0.002 0.000 0.920 382 S CB -0.089 63.113 63.200 0.002 0.000 0.773 382 S HN 0.146 nan 8.310 nan 0.000 0.529 383 L N 2.816 124.028 121.223 -0.018 0.000 2.453 383 L HA 0.178 4.518 4.340 0.000 0.000 0.272 383 L C 1.897 178.736 176.870 -0.051 0.000 1.182 383 L CA -0.311 54.509 54.840 -0.034 0.000 0.858 383 L CB 0.493 42.525 42.059 -0.045 0.000 1.120 383 L HN 0.289 nan 8.230 nan 0.000 0.474 384 R N 3.595 124.061 120.500 -0.056 0.000 2.148 384 R HA 0.065 4.405 4.340 0.000 0.000 0.223 384 R C 0.493 176.657 176.300 -0.227 0.000 1.088 384 R CA 0.583 56.646 56.100 -0.061 0.000 0.985 384 R CB -0.155 30.141 30.300 -0.007 0.000 0.880 384 R HN 0.457 nan 8.270 nan 0.000 0.451 385 I N 4.896 125.261 120.570 -0.342 0.000 2.436 385 I HA 0.122 4.292 4.170 0.000 0.000 0.289 385 I C -1.822 173.963 176.117 -0.553 0.000 1.083 385 I CA -2.293 58.564 61.300 -0.738 0.000 1.372 385 I CB 0.937 38.618 38.000 -0.531 0.000 1.408 385 I HN 0.028 nan 8.210 nan 0.000 0.516 386 P HA -0.070 nan 4.420 nan 0.000 0.262 386 P C 0.786 177.971 177.300 -0.192 0.000 1.199 386 P CA 0.247 63.175 63.100 -0.287 0.000 0.763 386 P CB 1.369 32.942 31.700 -0.211 0.000 0.790 387 V N 3.307 123.158 119.914 -0.105 0.000 2.490 387 V HA -0.257 3.863 4.120 0.000 0.000 0.250 387 V C 2.563 178.624 176.094 -0.056 0.000 1.061 387 V CA 2.332 64.585 62.300 -0.078 0.000 1.064 387 V CB -0.855 30.934 31.823 -0.056 0.000 0.670 387 V HN 0.511 nan 8.190 nan 0.000 0.461 388 Q N -0.680 119.105 119.800 -0.024 0.000 2.170 388 Q HA -0.252 4.088 4.340 0.000 0.000 0.203 388 Q C 1.894 177.866 176.000 -0.047 0.000 0.976 388 Q CA 2.394 58.186 55.803 -0.019 0.000 0.858 388 Q CB -0.714 28.043 28.738 0.031 0.000 0.907 388 Q HN 0.824 nan 8.270 nan 0.000 0.433 389 Y N -0.076 120.122 120.300 -0.170 0.000 2.145 389 Y HA -0.165 4.385 4.550 0.000 0.000 0.286 389 Y C 1.643 177.413 175.900 -0.217 0.000 1.145 389 Y CA 1.795 59.754 58.100 -0.235 0.000 1.148 389 Y CB -0.154 38.081 38.460 -0.374 0.000 0.981 389 Y HN 0.131 nan 8.280 nan 0.000 0.507 390 L N -0.364 120.838 121.223 -0.035 0.000 2.079 390 L HA -0.246 4.094 4.340 0.000 0.000 0.210 390 L C 2.721 179.464 176.870 -0.211 0.000 1.081 390 L CA 1.188 55.963 54.840 -0.109 0.000 0.752 390 L CB -0.975 41.041 42.059 -0.072 0.000 0.896 390 L HN 0.370 nan 8.230 nan 0.000 0.433 391 A N -0.000 122.710 122.820 -0.183 0.000 1.930 391 A HA -0.169 4.151 4.320 0.000 0.000 0.217 391 A C 1.961 179.408 177.584 -0.230 0.000 1.175 391 A CA 1.482 53.403 52.037 -0.193 0.000 0.627 391 A CB -0.456 18.463 19.000 -0.135 0.000 0.815 391 A HN 0.411 nan 8.150 nan 0.000 0.443 392 N N -0.512 118.037 118.700 -0.251 0.000 2.381 392 N HA -0.088 4.652 4.740 0.000 0.000 0.182 392 N C 1.381 176.704 175.510 -0.311 0.000 1.025 392 N CA 1.056 53.959 53.050 -0.245 0.000 0.888 392 N CB -0.227 38.103 38.487 -0.262 0.000 0.965 392 N HN 0.461 nan 8.380 nan 0.000 0.438 393 L N -0.224 120.733 121.223 -0.443 0.000 2.221 393 L HA 0.218 4.558 4.340 0.000 0.000 0.202 393 L C 1.660 178.130 176.870 -0.667 0.000 1.074 393 L CA 1.044 55.501 54.840 -0.639 0.000 0.795 393 L CB 0.029 41.776 42.059 -0.520 0.000 0.960 393 L HN 0.003 nan 8.230 nan 0.000 0.458 394 L N -1.611 119.345 121.223 -0.444 0.000 2.470 394 L HA 0.174 4.514 4.340 0.000 0.000 0.219 394 L C 0.749 177.374 176.870 -0.408 0.000 1.071 394 L CA 0.916 55.513 54.840 -0.406 0.000 0.850 394 L CB -0.147 41.716 42.059 -0.327 0.000 1.040 394 L HN 0.342 nan 8.230 nan 0.000 0.475 395 T N -3.419 110.930 114.554 -0.341 0.000 3.487 395 T HA 0.559 4.909 4.350 0.000 0.000 0.287 395 T C 0.769 175.356 174.700 -0.189 0.000 1.004 395 T CA 0.180 62.098 62.100 -0.303 0.000 0.977 395 T CB 0.868 69.546 68.868 -0.316 0.000 1.180 395 T HN 0.183 nan 8.240 nan 0.000 0.490 396 A N 0.182 122.898 122.820 -0.174 0.000 2.790 396 A HA 0.117 4.437 4.320 0.000 0.000 0.277 396 A C 1.889 179.421 177.584 -0.086 0.000 1.435 396 A CA 1.276 53.249 52.037 -0.106 0.000 0.877 396 A CB -2.085 16.874 19.000 -0.068 0.000 1.007 396 A HN 2.373 nan 8.150 nan 0.000 0.613 397 G N -1.949 106.784 108.800 -0.111 0.000 2.176 397 G HA2 -0.057 3.903 3.960 0.000 0.000 0.232 397 G HA3 -0.057 3.903 3.960 0.000 0.000 0.232 397 G C -0.229 174.629 174.900 -0.071 0.000 0.986 397 G CA 0.847 45.896 45.100 -0.085 0.000 0.643 397 G HN 1.537 nan 8.290 nan 0.000 0.522 398 D N 1.216 121.567 120.400 -0.082 0.000 2.359 398 D HA 0.515 5.155 4.640 0.000 0.000 0.230 398 D C 1.882 178.136 176.300 -0.077 0.000 1.118 398 D CA 0.422 54.385 54.000 -0.062 0.000 0.844 398 D CB 0.992 41.766 40.800 -0.043 0.000 1.059 398 D HN 0.213 nan 8.370 nan 0.000 0.493 399 T N 1.018 115.538 114.554 -0.057 0.000 3.072 399 T HA -0.081 4.269 4.350 0.000 0.000 0.266 399 T C 1.635 176.306 174.700 -0.049 0.000 1.127 399 T CA 0.620 62.686 62.100 -0.058 0.000 1.107 399 T CB 0.109 68.954 68.868 -0.038 0.000 0.910 399 T HN 0.331 nan 8.240 nan 0.000 0.513 400 K N 1.773 122.153 120.400 -0.034 0.000 1.985 400 K HA -0.030 4.290 4.320 0.000 0.000 0.210 400 K C -0.433 176.157 176.600 -0.017 0.000 1.047 400 K CA 1.434 57.712 56.287 -0.015 0.000 0.932 400 K CB -0.718 31.785 32.500 0.005 0.000 0.716 400 K HN 0.323 nan 8.250 nan 0.000 0.439 401 P HA -0.100 nan 4.420 nan 0.000 0.219 401 P C 1.440 178.691 177.300 -0.082 0.000 1.150 401 P CA 1.058 64.130 63.100 -0.046 0.000 0.814 401 P CB 0.036 31.647 31.700 -0.149 0.000 0.787 402 V N 0.298 120.146 119.914 -0.110 0.000 2.358 402 V HA -0.193 3.927 4.120 0.000 0.000 0.246 402 V C 2.794 178.857 176.094 -0.052 0.000 1.047 402 V CA 1.447 63.689 62.300 -0.096 0.000 1.035 402 V CB -1.218 30.540 31.823 -0.110 0.000 0.658 402 V HN 0.007 nan 8.190 nan 0.000 0.452 403 L N -0.340 120.858 121.223 -0.041 0.000 2.093 403 L HA -0.159 4.181 4.340 0.000 0.000 0.208 403 L C 2.760 179.624 176.870 -0.011 0.000 1.085 403 L CA 1.690 56.515 54.840 -0.025 0.000 0.755 403 L CB -0.503 41.543 42.059 -0.021 0.000 0.904 403 L HN 0.264 nan 8.230 nan 0.000 0.435 404 R N 0.140 120.638 120.500 -0.003 0.000 2.081 404 R HA -0.189 4.151 4.340 0.000 0.000 0.235 404 R C 2.287 178.599 176.300 0.020 0.000 1.131 404 R CA 1.451 57.560 56.100 0.014 0.000 0.960 404 R CB -0.207 30.113 30.300 0.033 0.000 0.856 404 R HN 0.344 nan 8.270 nan 0.000 0.436 405 A N 1.127 123.957 122.820 0.017 0.000 1.858 405 A HA -0.132 4.189 4.320 0.000 0.000 0.216 405 A C 2.209 179.804 177.584 0.018 0.000 1.190 405 A CA 1.297 53.352 52.037 0.029 0.000 0.617 405 A CB -0.641 18.372 19.000 0.022 0.000 0.827 405 A HN 0.333 nan 8.150 nan 0.000 0.443 406 L N -0.735 120.490 121.223 0.004 0.000 2.012 406 L HA -0.219 4.121 4.340 0.000 0.000 0.210 406 L C 2.657 179.529 176.870 0.004 0.000 1.073 406 L CA 2.017 56.858 54.840 0.002 0.000 0.748 406 L CB -0.437 41.615 42.059 -0.011 0.000 0.891 406 L HN 0.389 nan 8.230 nan 0.000 0.431 407 K N -0.094 120.306 120.400 -0.000 0.000 2.097 407 K HA -0.155 4.165 4.320 0.000 0.000 0.206 407 K C 2.323 178.922 176.600 -0.001 0.000 1.049 407 K CA 1.194 57.480 56.287 -0.002 0.000 0.933 407 K CB 0.075 32.571 32.500 -0.006 0.000 0.717 407 K HN 0.232 nan 8.250 nan 0.000 0.442 408 R N -0.280 120.220 120.500 0.000 0.000 2.073 408 R HA -0.017 4.323 4.340 0.000 0.000 0.229 408 R C 2.388 178.679 176.300 -0.015 0.000 1.120 408 R CA 1.140 57.233 56.100 -0.012 0.000 0.967 408 R CB -0.151 30.144 30.300 -0.009 0.000 0.862 408 R HN 0.196 nan 8.270 nan 0.000 0.436 409 M N 0.746 120.344 119.600 -0.002 0.000 2.073 409 M HA -0.208 4.272 4.480 0.000 0.000 0.258 409 M C 2.405 178.720 176.300 0.025 0.000 1.070 409 M CA 1.749 57.052 55.300 0.006 0.000 1.103 409 M CB -0.824 31.788 32.600 0.020 0.000 1.321 409 M HN 0.194 nan 8.290 nan 0.000 0.405 410 L N -0.365 120.874 121.223 0.027 0.000 2.083 410 L HA -0.181 4.159 4.340 0.000 0.000 0.209 410 L C 2.809 179.717 176.870 0.064 0.000 1.083 410 L CA 1.040 55.907 54.840 0.044 0.000 0.752 410 L CB -0.895 41.181 42.059 0.029 0.000 0.899 410 L HN 0.296 nan 8.230 nan 0.000 0.433 411 A N 0.055 122.897 122.820 0.037 0.000 1.851 411 A HA -0.324 3.996 4.320 0.000 0.000 0.216 411 A C 2.359 180.003 177.584 0.099 0.000 1.195 411 A CA 2.252 54.316 52.037 0.044 0.000 0.622 411 A CB -0.670 18.328 19.000 -0.004 0.000 0.831 411 A HN 0.438 nan 8.150 nan 0.000 0.444 412 M N -0.581 119.049 119.600 0.049 0.000 2.073 412 M HA -0.267 4.213 4.480 0.000 0.000 0.258 412 M C 2.330 178.723 176.300 0.156 0.000 1.070 412 M CA 2.198 57.542 55.300 0.073 0.000 1.103 412 M CB -0.305 32.302 32.600 0.013 0.000 1.321 412 M HN 0.437 nan 8.290 nan 0.000 0.405 413 R N -0.916 119.659 120.500 0.126 0.000 2.096 413 R HA -0.247 4.093 4.340 0.000 0.000 0.240 413 R C 2.527 178.896 176.300 0.113 0.000 1.139 413 R CA 1.983 58.153 56.100 0.117 0.000 0.952 413 R CB -1.269 29.088 30.300 0.096 0.000 0.854 413 R HN 0.638 nan 8.270 nan 0.000 0.436 414 H N 0.111 119.219 119.070 0.063 0.000 2.353 414 H HA -0.202 4.354 4.556 0.000 0.000 0.300 414 H C 1.920 177.287 175.328 0.065 0.000 1.090 414 H CA 2.032 58.111 56.048 0.052 0.000 1.327 414 H CB -0.263 29.529 29.762 0.049 0.000 1.383 414 H HN 0.306 nan 8.280 nan 0.000 0.508 415 Y N 1.831 122.173 120.300 0.071 0.000 2.181 415 Y HA -0.149 4.401 4.550 0.000 0.000 0.288 415 Y C 2.289 178.132 175.900 -0.096 0.000 1.146 415 Y CA 1.653 59.754 58.100 0.002 0.000 1.164 415 Y CB -0.039 38.436 38.460 0.025 0.000 0.982 415 Y HN -0.014 nan 8.280 nan 0.000 0.515 416 K N 0.583 120.979 120.400 -0.007 0.000 2.211 416 K HA -0.154 4.166 4.320 0.000 0.000 0.203 416 K C 2.191 178.669 176.600 -0.204 0.000 1.050 416 K CA 1.386 57.575 56.287 -0.163 0.000 0.945 416 K CB -0.434 32.032 32.500 -0.058 0.000 0.732 416 K HN 0.410 nan 8.250 nan 0.000 0.451 417 R N 0.592 120.989 120.500 -0.171 0.000 2.073 417 R HA -0.014 4.326 4.340 0.000 0.000 0.229 417 R C 2.138 178.307 176.300 -0.219 0.000 1.120 417 R CA 1.156 57.155 56.100 -0.168 0.000 0.967 417 R CB -0.124 30.086 30.300 -0.150 0.000 0.862 417 R HN 0.119 nan 8.270 nan 0.000 0.436 418 A N 1.131 123.769 122.820 -0.304 0.000 1.883 418 A HA -0.243 4.077 4.320 0.000 0.000 0.217 418 A C 2.046 179.478 177.584 -0.253 0.000 1.186 418 A CA 1.773 53.643 52.037 -0.279 0.000 0.624 418 A CB -0.679 18.136 19.000 -0.308 0.000 0.822 418 A HN 0.604 nan 8.150 nan 0.000 0.444 419 E N -0.500 119.496 120.200 -0.340 0.000 2.077 419 E HA -0.182 4.168 4.350 0.000 0.000 0.193 419 E C 1.935 178.411 176.600 -0.206 0.000 0.989 419 E CA 1.861 58.076 56.400 -0.309 0.000 0.800 419 E CB -0.139 29.297 29.700 -0.440 0.000 0.746 419 E HN 0.713 nan 8.360 nan 0.000 0.452 420 T N -2.798 111.644 114.554 -0.186 0.000 3.065 420 T HA 0.123 4.473 4.350 0.000 0.000 0.252 420 T C 1.536 176.180 174.700 -0.092 0.000 1.099 420 T CA 0.423 62.448 62.100 -0.125 0.000 1.063 420 T CB 0.757 69.560 68.868 -0.108 0.000 0.948 420 T HN 0.028 nan 8.240 nan 0.000 0.506 421 V N 1.006 120.859 119.914 -0.101 0.000 2.996 421 V HA 0.160 4.280 4.120 0.000 0.000 0.235 421 V C 1.941 177.991 176.094 -0.074 0.000 1.205 421 V CA 0.655 62.910 62.300 -0.076 0.000 1.225 421 V CB 0.338 32.118 31.823 -0.071 0.000 0.995 421 V HN 0.341 nan 8.190 nan 0.000 0.484 422 D N 0.702 121.046 120.400 -0.093 0.000 2.333 422 D HA 0.115 4.755 4.640 0.000 0.000 0.208 422 D C 1.739 177.991 176.300 -0.079 0.000 0.984 422 D CA 1.223 55.174 54.000 -0.080 0.000 0.873 422 D CB 0.471 41.216 40.800 -0.090 0.000 0.935 422 D HN 0.524 nan 8.370 nan 0.000 0.521 423 G N 1.690 110.433 108.800 -0.096 0.000 2.198 423 G HA2 -0.302 3.658 3.960 0.000 0.000 0.260 423 G HA3 -0.302 3.658 3.960 0.000 0.000 0.260 423 G C 0.200 175.045 174.900 -0.091 0.000 1.025 423 G CA 0.450 45.496 45.100 -0.090 0.000 0.769 423 G HN 0.290 nan 8.290 nan 0.000 0.507 424 K N -1.250 119.082 120.400 -0.114 0.000 2.352 424 K HA 0.682 5.002 4.320 0.000 0.000 0.240 424 K C -0.409 176.107 176.600 -0.140 0.000 1.017 424 K CA -1.041 55.186 56.287 -0.100 0.000 0.851 424 K CB 2.621 35.077 32.500 -0.074 0.000 1.261 424 K HN 0.001 nan 8.250 nan 0.000 0.451 425 V N 1.910 121.768 119.914 -0.094 0.000 2.318 425 V HA 0.140 4.260 4.120 0.000 0.000 0.271 425 V C -0.901 175.181 176.094 -0.020 0.000 1.030 425 V CA -0.386 61.862 62.300 -0.087 0.000 0.844 425 V CB 0.894 32.707 31.823 -0.018 0.000 1.015 425 V HN 0.641 nan 8.190 nan 0.000 0.460 426 D N 3.425 123.816 120.400 -0.014 0.000 2.469 426 D HA 0.285 4.925 4.640 0.000 0.000 0.251 426 D C 0.838 177.280 176.300 0.237 0.000 1.173 426 D CA -0.265 53.792 54.000 0.096 0.000 0.882 426 D CB 1.940 42.794 40.800 0.090 0.000 1.129 426 D HN 0.568 nan 8.370 nan 0.000 0.549 427 T N 0.583 115.262 114.554 0.209 0.000 3.145 427 T HA 0.180 4.530 4.350 0.000 0.000 0.255 427 T C 1.521 176.290 174.700 0.115 0.000 1.039 427 T CA -0.253 61.972 62.100 0.209 0.000 0.928 427 T CB 0.057 69.011 68.868 0.143 0.000 1.029 427 T HN 0.219 nan 8.240 nan 0.000 0.554 428 R N 1.104 121.666 120.500 0.104 0.000 2.105 428 R HA 0.020 4.360 4.340 0.000 0.000 0.239 428 R C 2.691 178.971 176.300 -0.033 0.000 1.135 428 R CA 1.560 57.675 56.100 0.027 0.000 0.967 428 R CB -0.521 29.788 30.300 0.016 0.000 0.861 428 R HN 0.525 nan 8.270 nan 0.000 0.442 429 A N 0.785 123.564 122.820 -0.069 0.000 2.016 429 A HA -0.018 4.302 4.320 0.000 0.000 0.217 429 A C 2.098 179.661 177.584 -0.035 0.000 1.162 429 A CA 0.765 52.730 52.037 -0.119 0.000 0.662 429 A CB -0.233 18.631 19.000 -0.227 0.000 0.812 429 A HN 0.152 nan 8.150 nan 0.000 0.450 430 L N -0.902 120.322 121.223 0.002 0.000 2.109 430 L HA -0.138 4.202 4.340 0.000 0.000 0.207 430 L C 2.457 179.310 176.870 -0.028 0.000 1.086 430 L CA 1.313 56.133 54.840 -0.033 0.000 0.760 430 L CB -0.469 41.542 42.059 -0.081 0.000 0.910 430 L HN 0.426 nan 8.230 nan 0.000 0.437 431 E N 0.058 120.250 120.200 -0.013 0.000 2.106 431 E HA -0.260 4.090 4.350 0.000 0.000 0.192 431 E C 2.001 178.594 176.600 -0.012 0.000 0.984 431 E CA 0.999 57.394 56.400 -0.009 0.000 0.806 431 E CB 0.026 29.727 29.700 0.001 0.000 0.750 431 E HN 0.393 nan 8.360 nan 0.000 0.458 432 E N 0.429 120.617 120.200 -0.020 0.000 2.204 432 E HA -0.156 4.194 4.350 0.000 0.000 0.195 432 E C 1.740 178.331 176.600 -0.016 0.000 0.990 432 E CA 1.409 57.796 56.400 -0.022 0.000 0.821 432 E CB 0.280 29.958 29.700 -0.037 0.000 0.750 432 E HN 0.255 nan 8.360 nan 0.000 0.477 433 V N -4.248 115.656 119.914 -0.017 0.000 3.578 433 V HA 0.451 4.571 4.120 0.000 0.000 0.290 433 V C 1.108 177.201 176.094 -0.002 0.000 1.376 433 V CA 0.337 62.632 62.300 -0.009 0.000 1.083 433 V CB 0.304 32.119 31.823 -0.013 0.000 0.911 433 V HN 0.237 nan 8.190 nan 0.000 0.433 434 G N 0.796 109.593 108.800 -0.005 0.000 2.142 434 G HA2 -0.190 3.770 3.960 0.000 0.000 0.225 434 G HA3 -0.190 3.770 3.960 0.000 0.000 0.225 434 G C -0.287 174.614 174.900 0.002 0.000 1.015 434 G CA 0.443 45.545 45.100 0.003 0.000 0.716 434 G HN 0.549 nan 8.290 nan 0.000 0.508 435 L N 0.020 121.231 121.223 -0.021 0.000 2.304 435 L HA 0.865 5.205 4.340 0.000 0.000 0.268 435 L C 1.101 177.934 176.870 -0.063 0.000 1.010 435 L CA -0.416 54.400 54.840 -0.041 0.000 0.813 435 L CB 1.997 44.003 42.059 -0.088 0.000 1.315 435 L HN 0.394 nan 8.230 nan 0.000 0.445 436 T N -3.894 110.614 114.554 -0.076 0.000 2.938 436 T HA 0.300 4.650 4.350 0.000 0.000 0.285 436 T C 0.618 175.210 174.700 -0.180 0.000 1.028 436 T CA -0.669 61.380 62.100 -0.084 0.000 1.005 436 T CB 1.676 70.526 68.868 -0.030 0.000 1.157 436 T HN 0.621 nan 8.240 nan 0.000 0.550 437 E N 0.019 120.120 120.200 -0.164 0.000 2.077 437 E HA -0.052 4.298 4.350 0.000 0.000 0.193 437 E C 2.382 178.882 176.600 -0.167 0.000 0.989 437 E CA 1.157 57.402 56.400 -0.259 0.000 0.800 437 E CB -0.369 29.309 29.700 -0.036 0.000 0.746 437 E HN 0.740 nan 8.360 nan 0.000 0.452 438 A N 1.194 123.980 122.820 -0.057 0.000 1.858 438 A HA -0.274 4.046 4.320 0.000 0.000 0.216 438 A C 2.043 179.628 177.584 0.001 0.000 1.190 438 A CA 1.554 53.592 52.037 0.003 0.000 0.617 438 A CB -0.573 18.450 19.000 0.038 0.000 0.827 438 A HN 0.193 nan 8.150 nan 0.000 0.443 439 Q N -0.747 119.046 119.800 -0.012 0.000 2.170 439 Q HA -0.103 4.237 4.340 0.000 0.000 0.203 439 Q C 2.343 178.204 176.000 -0.232 0.000 0.976 439 Q CA 1.239 57.038 55.803 -0.006 0.000 0.858 439 Q CB -0.363 28.396 28.738 0.035 0.000 0.907 439 Q HN 0.710 nan 8.270 nan 0.000 0.433 440 A N 0.958 123.619 122.820 -0.264 0.000 1.872 440 A HA -0.199 4.121 4.320 0.000 0.000 0.214 440 A C 1.940 179.426 177.584 -0.164 0.000 1.187 440 A CA 1.129 52.971 52.037 -0.325 0.000 0.614 440 A CB -0.353 18.320 19.000 -0.544 0.000 0.826 440 A HN 0.299 nan 8.150 nan 0.000 0.442 441 Q N -0.770 118.986 119.800 -0.073 0.000 2.226 441 Q HA -0.177 4.163 4.340 0.000 0.000 0.204 441 Q C 1.986 178.081 176.000 0.157 0.000 0.975 441 Q CA 1.439 57.298 55.803 0.092 0.000 0.866 441 Q CB -0.075 28.726 28.738 0.105 0.000 0.915 441 Q HN 0.811 nan 8.270 nan 0.000 0.440 442 E N 0.466 120.721 120.200 0.090 0.000 2.051 442 E HA -0.120 4.230 4.350 0.000 0.000 0.189 442 E C 1.987 178.627 176.600 0.067 0.000 0.979 442 E CA 0.519 57.046 56.400 0.211 0.000 0.803 442 E CB 0.084 29.973 29.700 0.315 0.000 0.761 442 E HN 0.324 nan 8.360 nan 0.000 0.451 443 M N -0.170 119.158 119.600 -0.454 0.000 2.106 443 M HA -0.242 4.238 4.480 0.000 0.000 0.259 443 M C 2.240 178.424 176.300 -0.194 0.000 1.068 443 M CA 1.670 56.473 55.300 -0.829 0.000 1.100 443 M CB -0.459 31.602 32.600 -0.900 0.000 1.351 443 M HN 0.265 nan 8.290 nan 0.000 0.404 444 Y N 0.744 120.963 120.300 -0.135 0.000 2.181 444 Y HA -0.298 4.252 4.550 0.000 0.000 0.288 444 Y C 2.584 178.518 175.900 0.057 0.000 1.146 444 Y CA 2.098 60.190 58.100 -0.014 0.000 1.164 444 Y CB -0.297 38.175 38.460 0.020 0.000 0.982 444 Y HN 0.124 nan 8.280 nan 0.000 0.515 445 R N -0.830 119.748 120.500 0.130 0.000 2.082 445 R HA -0.254 4.086 4.340 0.000 0.000 0.234 445 R C 2.026 178.329 176.300 0.004 0.000 1.136 445 R CA 2.391 58.529 56.100 0.063 0.000 0.935 445 R CB -1.040 29.384 30.300 0.207 0.000 0.842 445 R HN 0.492 nan 8.270 nan 0.000 0.430 446 Y N 0.520 120.851 120.300 0.051 0.000 2.242 446 Y HA -0.113 4.437 4.550 0.000 0.000 0.291 446 Y C 2.211 178.191 175.900 0.132 0.000 1.137 446 Y CA 1.169 59.353 58.100 0.139 0.000 1.181 446 Y CB 0.078 38.696 38.460 0.264 0.000 0.989 446 Y HN 0.076 nan 8.280 nan 0.000 0.527 447 L N -1.766 119.547 121.223 0.150 0.000 2.168 447 L HA 0.025 4.365 4.340 0.000 0.000 0.203 447 L C 2.474 179.338 176.870 -0.010 0.000 1.078 447 L CA 0.743 55.642 54.840 0.097 0.000 0.780 447 L CB -0.575 41.493 42.059 0.016 0.000 0.939 447 L HN 0.131 nan 8.230 nan 0.000 0.451 448 A N 0.336 123.026 122.820 -0.216 0.000 1.859 448 A HA -0.014 4.306 4.320 0.000 0.000 0.212 448 A C 2.114 179.527 177.584 -0.285 0.000 1.238 448 A CA 0.706 52.537 52.037 -0.343 0.000 0.613 448 A CB -0.345 18.152 19.000 -0.839 0.000 0.904 448 A HN 0.134 nan 8.150 nan 0.000 0.457 449 I N -0.465 119.887 120.570 -0.364 0.000 2.202 449 I HA -0.054 4.116 4.170 0.000 0.000 0.242 449 I C 1.829 177.871 176.117 -0.125 0.000 1.091 449 I CA 1.281 62.463 61.300 -0.196 0.000 1.368 449 I CB -1.720 36.185 38.000 -0.158 0.000 1.058 449 I HN 0.542 nan 8.210 nan 0.000 0.410 450 A N 2.129 124.878 122.820 -0.119 0.000 2.415 450 A HA -0.275 4.045 4.320 0.000 0.000 0.292 450 A C 0.417 177.906 177.584 -0.159 0.000 1.452 450 A CA 0.533 52.504 52.037 -0.110 0.000 0.750 450 A CB -2.733 16.227 19.000 -0.068 0.000 1.099 450 A HN 0.675 nan 8.150 nan 0.000 0.391 451 N N -1.123 117.487 118.700 -0.150 0.000 2.395 451 N HA 0.192 4.932 4.740 0.000 0.000 0.246 451 N C 0.987 176.426 175.510 -0.118 0.000 1.246 451 N CA 0.419 53.413 53.050 -0.093 0.000 0.879 451 N CB 0.120 38.562 38.487 -0.074 0.000 1.098 451 N HN 0.564 nan 8.380 nan 0.000 0.444 452 Y N 1.982 122.190 120.300 -0.154 0.000 2.069 452 Y HA -0.319 4.231 4.550 0.000 0.000 0.278 452 Y C 2.320 178.139 175.900 -0.135 0.000 1.175 452 Y CA 1.927 59.940 58.100 -0.145 0.000 1.134 452 Y CB -0.048 38.420 38.460 0.014 0.000 0.965 452 Y HN 0.647 nan 8.280 nan 0.000 0.498 453 E N -0.798 119.481 120.200 0.132 0.000 2.401 453 E HA -0.198 4.152 4.350 0.000 0.000 0.199 453 E C 0.849 177.405 176.600 -0.073 0.000 1.023 453 E CA 1.494 57.934 56.400 0.068 0.000 0.859 453 E CB -0.297 29.461 29.700 0.097 0.000 0.780 453 E HN 0.585 nan 8.360 nan 0.000 0.523 454 D N 0.931 121.217 120.400 -0.191 0.000 2.394 454 D HA 0.074 4.714 4.640 0.000 0.000 0.226 454 D C 2.010 178.206 176.300 -0.173 0.000 0.990 454 D CA 0.267 54.125 54.000 -0.237 0.000 0.902 454 D CB 0.007 40.500 40.800 -0.513 0.000 1.038 454 D HN 0.201 nan 8.370 nan 0.000 0.499 455 R N -0.059 120.162 120.500 -0.466 0.000 2.115 455 R HA 0.014 4.354 4.340 0.000 0.000 0.226 455 R C 0.053 175.938 176.300 -0.691 0.000 1.100 455 R CA 0.658 56.298 56.100 -0.766 0.000 0.980 455 R CB 0.023 29.403 30.300 -1.533 0.000 0.875 455 R HN 0.085 nan 8.270 nan 0.000 0.445 456 F N 0.042 119.839 119.950 -0.255 0.000 2.427 456 F HA 0.321 4.848 4.527 0.000 0.000 0.348 456 F C -0.204 175.526 175.800 -0.117 0.000 1.125 456 F CA -1.495 56.364 58.000 -0.234 0.000 0.989 456 F CB 1.866 40.591 39.000 -0.459 0.000 1.165 456 F HN -0.388 nan 8.300 nan 0.000 0.442 457 V N 4.229 124.225 119.914 0.136 0.000 2.384 457 V HA 0.301 4.421 4.120 0.000 0.000 0.257 457 V C -0.575 175.568 176.094 0.081 0.000 0.969 457 V CA -0.572 61.784 62.300 0.093 0.000 0.910 457 V CB 0.938 32.812 31.823 0.086 0.000 1.150 457 V HN 0.479 nan 8.190 nan 0.000 0.481 458 V N 5.539 125.497 119.914 0.074 0.000 2.370 458 V HA 0.502 4.622 4.120 0.000 0.000 0.283 458 V C -1.756 174.359 176.094 0.036 0.000 1.023 458 V CA -1.385 60.947 62.300 0.054 0.000 0.857 458 V CB 2.060 33.905 31.823 0.037 0.000 0.985 458 V HN 0.557 nan 8.190 nan 0.000 0.443 459 P HA 0.289 nan 4.420 nan 0.000 0.281 459 P C -0.261 177.028 177.300 -0.018 0.000 1.264 459 P CA -0.374 62.736 63.100 0.017 0.000 0.824 459 P CB 1.476 33.200 31.700 0.041 0.000 1.092 460 S N -0.010 115.629 115.700 -0.102 0.000 2.585 460 S HA 0.078 4.548 4.470 0.000 0.000 0.273 460 S C 1.271 175.783 174.600 -0.147 0.000 1.339 460 S CA -0.203 57.876 58.200 -0.201 0.000 1.028 460 S CB -0.256 62.680 63.200 -0.441 0.000 0.906 460 S HN 0.385 nan 8.310 nan 0.000 0.528 461 S N 2.380 118.038 115.700 -0.071 0.000 2.562 461 S HA 0.107 4.577 4.470 0.000 0.000 0.221 461 S C -0.146 174.516 174.600 0.104 0.000 0.975 461 S CA -0.008 58.211 58.200 0.033 0.000 0.918 461 S CB -0.446 62.781 63.200 0.044 0.000 0.772 461 S HN 0.849 nan 8.310 nan 0.000 0.531 462 H N 0.764 119.850 119.070 0.026 0.000 2.750 462 H HA -0.105 4.451 4.556 0.000 0.000 0.327 462 H C 0.627 175.970 175.328 0.025 0.000 1.199 462 H CA 0.433 56.495 56.048 0.023 0.000 1.149 462 H CB -1.199 28.572 29.762 0.015 0.000 1.543 462 H HN 0.433 nan 8.280 nan 0.000 0.427 463 R N 1.054 121.607 120.500 0.088 0.000 2.377 463 R HA -0.099 4.241 4.340 0.000 0.000 0.207 463 R C 1.901 178.249 176.300 0.080 0.000 1.075 463 R CA 1.125 57.269 56.100 0.075 0.000 1.035 463 R CB 0.189 30.523 30.300 0.057 0.000 0.857 463 R HN 0.598 nan 8.270 nan 0.000 0.475 464 E N 0.727 120.989 120.200 0.103 0.000 2.415 464 E HA -0.015 4.335 4.350 0.000 0.000 0.197 464 E C 0.361 177.005 176.600 0.074 0.000 1.007 464 E CA 0.166 56.621 56.400 0.092 0.000 0.890 464 E CB 0.080 29.842 29.700 0.104 0.000 0.891 464 E HN 0.220 nan 8.360 nan 0.000 0.496 465 L N 1.201 122.468 121.223 0.073 0.000 2.380 465 L HA 0.339 4.679 4.340 0.000 0.000 0.273 465 L C 1.022 177.909 176.870 0.027 0.000 1.138 465 L CA 0.204 55.066 54.840 0.036 0.000 0.832 465 L CB 0.938 43.005 42.059 0.012 0.000 1.124 465 L HN 0.206 nan 8.230 nan 0.000 0.454 466 A N 2.282 125.111 122.820 0.015 0.000 2.945 466 A HA -0.224 4.096 4.320 0.000 0.000 0.263 466 A C 0.551 178.145 177.584 0.017 0.000 1.293 466 A CA 1.654 53.697 52.037 0.011 0.000 0.944 466 A CB -1.538 17.465 19.000 0.004 0.000 1.093 466 A HN 0.877 nan 8.150 nan 0.000 0.786 467 R N -1.588 118.928 120.500 0.028 0.000 2.947 467 R HA 0.676 5.016 4.340 0.000 0.000 0.253 467 R C -0.736 175.590 176.300 0.044 0.000 1.208 467 R CA -0.853 55.267 56.100 0.033 0.000 1.012 467 R CB 0.877 31.201 30.300 0.039 0.000 1.267 467 R HN 0.344 nan 8.270 nan 0.000 0.473 468 E N 0.688 120.919 120.200 0.052 0.000 2.546 468 E HA 0.230 4.580 4.350 0.000 0.000 0.227 468 E C 0.077 176.734 176.600 0.095 0.000 1.009 468 E CA -0.274 56.170 56.400 0.073 0.000 0.813 468 E CB 1.504 31.245 29.700 0.068 0.000 1.269 468 E HN 0.694 nan 8.360 nan 0.000 0.432 469 A N 2.930 125.814 122.820 0.106 0.000 1.873 469 A HA -0.251 4.069 4.320 0.000 0.000 0.218 469 A C 1.748 179.417 177.584 0.142 0.000 1.193 469 A CA 1.351 53.456 52.037 0.113 0.000 0.629 469 A CB -0.462 18.608 19.000 0.116 0.000 0.826 469 A HN 0.611 nan 8.150 nan 0.000 0.447 470 F N 1.524 121.491 119.950 0.029 0.000 2.027 470 F HA -0.167 4.360 4.527 0.000 0.000 0.297 470 F C -0.195 175.626 175.800 0.035 0.000 1.129 470 F CA 2.463 60.481 58.000 0.029 0.000 1.195 470 F CB -1.010 38.005 39.000 0.024 0.000 0.960 470 F HN 0.211 nan 8.300 nan 0.000 0.485 471 P HA -0.203 nan 4.420 nan 0.000 0.220 471 P C 1.356 178.636 177.300 -0.033 0.000 1.148 471 P CA 1.782 64.871 63.100 -0.018 0.000 0.803 471 P CB -0.228 31.512 31.700 0.066 0.000 0.782 472 E N 0.914 121.116 120.200 0.003 0.000 2.046 472 E HA -0.181 4.169 4.350 0.000 0.000 0.190 472 E C 2.281 178.875 176.600 -0.010 0.000 0.982 472 E CA 0.976 57.387 56.400 0.019 0.000 0.800 472 E CB -0.219 29.506 29.700 0.040 0.000 0.756 472 E HN 0.101 nan 8.360 nan 0.000 0.449 473 K N 0.468 120.838 120.400 -0.050 0.000 2.044 473 K HA -0.225 4.095 4.320 0.000 0.000 0.210 473 K C 1.676 178.224 176.600 -0.088 0.000 1.049 473 K CA 1.961 58.203 56.287 -0.074 0.000 0.927 473 K CB -0.183 32.251 32.500 -0.110 0.000 0.713 473 K HN 0.071 nan 8.250 nan 0.000 0.443 474 N N -0.246 118.357 118.700 -0.161 0.000 2.331 474 N HA -0.058 4.682 4.740 0.000 0.000 0.180 474 N C 1.391 176.951 175.510 0.083 0.000 1.019 474 N CA 1.472 54.463 53.050 -0.099 0.000 0.881 474 N CB 0.183 38.529 38.487 -0.234 0.000 0.972 474 N HN 0.476 nan 8.380 nan 0.000 0.435 475 G N -0.059 108.801 108.800 0.099 0.000 3.839 475 G HA2 0.151 4.111 3.960 0.000 0.000 0.286 475 G HA3 0.151 4.111 3.960 0.000 0.000 0.286 475 G C 0.299 175.375 174.900 0.293 0.000 1.005 475 G CA -0.235 45.012 45.100 0.246 0.000 0.824 475 G HN 0.365 nan 8.290 nan 0.000 0.489 476 C N -1.022 118.364 119.300 0.143 0.000 2.466 476 C HA 0.845 5.305 4.460 0.000 0.000 0.379 476 C C 1.720 176.662 174.990 -0.081 0.000 1.251 476 C CA 0.330 59.387 59.018 0.065 0.000 2.263 476 C CB 0.693 28.450 27.740 0.029 0.000 2.511 476 C HN 1.177 nan 8.230 nan 0.000 0.573 477 G N 1.431 110.155 108.800 -0.126 0.000 2.308 477 G HA2 -0.199 3.761 3.960 0.000 0.000 0.221 477 G HA3 -0.199 3.761 3.960 0.000 0.000 0.221 477 G C -0.112 174.564 174.900 -0.373 0.000 1.032 477 G CA 0.062 44.995 45.100 -0.278 0.000 0.623 477 G HN 0.776 nan 8.290 nan 0.000 0.506 478 F N 3.432 123.207 119.950 -0.292 0.000 2.556 478 F HA 0.402 4.929 4.527 0.000 0.000 0.344 478 F C 1.518 176.923 175.800 -0.658 0.000 1.255 478 F CA 0.930 58.564 58.000 -0.611 0.000 1.091 478 F CB 0.518 39.218 39.000 -0.501 0.000 1.325 478 F HN 0.114 nan 8.300 nan 0.000 0.627 479 T N -0.480 113.791 114.554 -0.471 0.000 3.540 479 T HA 0.166 4.516 4.350 0.000 0.000 0.269 479 T C 0.771 175.373 174.700 -0.164 0.000 1.481 479 T CA -0.401 61.534 62.100 -0.275 0.000 1.224 479 T CB -0.795 67.960 68.868 -0.190 0.000 1.192 479 T HN 0.253 nan 8.240 nan 0.000 0.756 480 F N 1.755 121.751 119.950 0.075 0.000 2.748 480 F HA 0.371 4.898 4.527 0.000 0.000 0.299 480 F C 1.872 177.700 175.800 0.046 0.000 1.154 480 F CA -0.610 57.424 58.000 0.058 0.000 1.446 480 F CB -0.697 38.340 39.000 0.061 0.000 1.112 480 F HN 0.697 nan 8.300 nan 0.000 0.584 481 G N 1.467 110.375 108.800 0.180 0.000 2.638 481 G HA2 -0.235 3.725 3.960 0.000 0.000 0.269 481 G HA3 -0.235 3.725 3.960 0.000 0.000 0.269 481 G C 0.365 175.367 174.900 0.170 0.000 1.141 481 G CA 0.223 45.407 45.100 0.139 0.000 1.081 481 G HN 0.405 nan 8.290 nan 0.000 0.527 482 D N -0.284 120.229 120.400 0.187 0.000 2.347 482 D HA 0.279 4.919 4.640 0.000 0.000 0.215 482 D C 1.996 178.391 176.300 0.159 0.000 0.976 482 D CA 0.844 54.951 54.000 0.179 0.000 0.884 482 D CB -0.498 40.413 40.800 0.185 0.000 0.915 482 D HN 1.734 nan 8.370 nan 0.000 0.526 483 G N -0.519 108.377 108.800 0.161 0.000 2.203 483 G HA2 -0.347 3.613 3.960 0.000 0.000 0.263 483 G HA3 -0.347 3.613 3.960 0.000 0.000 0.263 483 G C 0.775 175.705 174.900 0.050 0.000 1.012 483 G CA 0.485 45.646 45.100 0.101 0.000 0.749 483 G HN 0.486 nan 8.290 nan 0.000 0.512 484 C N -0.446 118.912 119.300 0.097 0.000 3.336 484 C HA 0.389 4.849 4.460 0.000 0.000 0.291 484 C C 1.045 176.023 174.990 -0.020 0.000 1.363 484 C CA -0.896 58.127 59.018 0.007 0.000 1.737 484 C CB -0.639 27.077 27.740 -0.040 0.000 2.274 484 C HN 0.590 nan 8.230 nan 0.000 0.663 485 H N -0.105 118.967 119.070 0.003 0.000 2.551 485 H HA 0.494 5.050 4.556 0.000 0.000 0.358 485 H C 1.370 176.698 175.328 0.001 0.000 1.151 485 H CA 1.824 57.876 56.048 0.007 0.000 1.374 485 H CB 0.389 30.159 29.762 0.014 0.000 1.473 485 H HN 0.308 nan 8.280 nan 0.000 0.574 486 G N 0.710 109.571 108.800 0.102 0.000 2.194 486 G HA2 -0.255 3.705 3.960 0.000 0.000 0.236 486 G HA3 -0.255 3.705 3.960 0.000 0.000 0.236 486 G C 0.042 174.955 174.900 0.022 0.000 0.987 486 G CA 0.221 45.355 45.100 0.058 0.000 0.635 486 G HN 0.998 nan 8.290 nan 0.000 0.520 487 S N -1.065 114.640 115.700 0.007 0.000 2.588 487 S HA 0.708 5.178 4.470 0.000 0.000 0.275 487 S C -0.294 174.302 174.600 -0.007 0.000 1.130 487 S CA 0.049 58.250 58.200 0.001 0.000 0.855 487 S CB 2.270 65.472 63.200 0.005 0.000 1.116 487 S HN -0.126 nan 8.310 nan 0.000 0.472 488 D N 1.155 121.554 120.400 -0.001 0.000 2.389 488 D HA 0.159 4.799 4.640 0.000 0.000 0.206 488 D C 0.564 176.869 176.300 0.009 0.000 1.055 488 D CA 0.681 54.679 54.000 -0.003 0.000 0.856 488 D CB 0.381 41.178 40.800 -0.004 0.000 0.957 488 D HN 0.787 nan 8.370 nan 0.000 0.509 489 T N -1.436 113.133 114.554 0.024 0.000 2.817 489 T HA 0.287 4.637 4.350 0.000 0.000 0.293 489 T C 1.007 175.739 174.700 0.053 0.000 0.964 489 T CA -0.613 61.517 62.100 0.050 0.000 1.085 489 T CB 1.981 70.896 68.868 0.078 0.000 0.921 489 T HN -0.160 nan 8.240 nan 0.000 0.502 490 K N 1.299 121.735 120.400 0.060 0.000 2.296 490 K HA 0.090 4.410 4.320 0.000 0.000 0.200 490 K C 0.487 177.111 176.600 0.040 0.000 1.048 490 K CA 0.129 56.437 56.287 0.035 0.000 0.966 490 K CB -0.081 32.439 32.500 0.032 0.000 0.754 490 K HN 0.669 nan 8.250 nan 0.000 0.466 491 F N 3.436 123.381 119.950 -0.009 0.000 2.538 491 F HA -0.014 4.513 4.527 0.000 0.000 0.371 491 F C -0.056 175.736 175.800 -0.015 0.000 1.087 491 F CA -0.152 57.845 58.000 -0.006 0.000 1.250 491 F CB 0.255 39.253 39.000 -0.005 0.000 1.110 491 F HN 0.133 nan 8.300 nan 0.000 0.570 492 N N 4.146 122.189 118.700 -1.095 0.000 2.308 492 N HA 0.284 5.024 4.740 0.000 0.000 0.283 492 N C -0.395 174.620 175.510 -0.825 0.000 1.105 492 N CA -1.003 51.613 53.050 -0.723 0.000 0.840 492 N CB 1.360 39.646 38.487 -0.334 0.000 1.633 492 N HN 0.574 nan 8.380 nan 0.000 0.476 493 L N -0.033 120.904 121.223 -0.477 0.000 2.265 493 L HA 0.015 4.355 4.340 0.000 0.000 0.215 493 L C 0.796 177.718 176.870 0.086 0.000 1.117 493 L CA 1.199 55.924 54.840 -0.191 0.000 0.782 493 L CB -0.409 41.606 42.059 -0.074 0.000 0.914 493 L HN 0.667 nan 8.230 nan 0.000 0.441 494 F N -0.499 119.366 119.950 -0.142 0.000 2.731 494 F HA 0.064 4.591 4.527 0.000 0.000 0.304 494 F C 0.814 176.558 175.800 -0.094 0.000 1.133 494 F CA -0.582 57.367 58.000 -0.086 0.000 1.380 494 F CB -0.129 38.840 39.000 -0.053 0.000 1.079 494 F HN 0.196 nan 8.300 nan 0.000 0.550 495 N N 1.631 120.347 118.700 0.027 0.000 2.642 495 N HA -0.241 4.499 4.740 0.000 0.000 0.269 495 N C -0.762 174.751 175.510 0.005 0.000 1.073 495 N CA 0.745 53.783 53.050 -0.020 0.000 0.748 495 N CB -0.729 37.763 38.487 0.009 0.000 0.894 495 N HN 0.276 nan 8.380 nan 0.000 0.548 496 S N 0.729 116.423 115.700 -0.011 0.000 2.720 496 S HA 0.859 5.329 4.470 0.000 0.000 0.287 496 S C -0.993 173.602 174.600 -0.008 0.000 1.168 496 S CA -0.800 57.409 58.200 0.014 0.000 0.832 496 S CB 1.197 64.436 63.200 0.065 0.000 1.166 496 S HN 0.450 nan 8.310 nan 0.000 0.493 497 R N 0.305 120.810 120.500 0.009 0.000 2.774 497 R HA 0.478 4.818 4.340 0.000 0.000 0.272 497 R C -1.003 175.301 176.300 0.007 0.000 1.000 497 R CA -0.966 55.132 56.100 -0.003 0.000 0.906 497 R CB 1.370 31.668 30.300 -0.003 0.000 1.227 497 R HN 0.548 nan 8.270 nan 0.000 0.468 498 R N 1.263 121.747 120.500 -0.027 0.000 2.489 498 R HA 0.097 4.437 4.340 0.000 0.000 0.287 498 R C 1.026 177.327 176.300 0.002 0.000 1.053 498 R CA 0.134 56.202 56.100 -0.053 0.000 1.036 498 R CB 0.418 30.626 30.300 -0.154 0.000 0.966 498 R HN 0.555 nan 8.270 nan 0.000 0.432 499 I N 1.709 122.318 120.570 0.065 0.000 2.286 499 I HA -0.234 3.936 4.170 0.000 0.000 0.245 499 I C 1.214 177.357 176.117 0.042 0.000 1.104 499 I CA 1.182 62.523 61.300 0.068 0.000 1.397 499 I CB -0.219 37.857 38.000 0.126 0.000 1.072 499 I HN 0.633 nan 8.210 nan 0.000 0.417 500 D N 1.106 121.546 120.400 0.067 0.000 2.676 500 D HA 0.305 4.945 4.640 0.000 0.000 0.239 500 D C 0.023 176.329 176.300 0.011 0.000 1.213 500 D CA 0.022 54.055 54.000 0.055 0.000 0.835 500 D CB -0.058 40.804 40.800 0.104 0.000 1.009 500 D HN 0.199 nan 8.370 nan 0.000 0.479 501 A N 0.070 122.890 122.820 -0.001 0.000 2.566 501 A HA 0.623 4.943 4.320 0.000 0.000 0.292 501 A C -1.259 176.331 177.584 0.010 0.000 1.112 501 A CA -0.892 51.145 52.037 -0.001 0.000 0.707 501 A CB 1.391 20.375 19.000 -0.025 0.000 1.302 501 A HN 0.134 nan 8.150 nan 0.000 0.409 502 I N 1.321 121.904 120.570 0.022 0.000 2.330 502 I HA 0.305 4.475 4.170 0.000 0.000 0.289 502 I C -0.456 175.672 176.117 0.018 0.000 1.001 502 I CA -0.004 61.312 61.300 0.028 0.000 1.193 502 I CB 0.720 38.749 38.000 0.048 0.000 1.345 502 I HN 0.755 nan 8.210 nan 0.000 0.461 503 D N 3.624 124.032 120.400 0.013 0.000 2.392 503 D HA 0.047 4.687 4.640 0.000 0.000 0.206 503 D C 0.491 176.799 176.300 0.013 0.000 1.046 503 D CA 0.495 54.502 54.000 0.011 0.000 0.865 503 D CB 0.729 41.533 40.800 0.006 0.000 0.969 503 D HN 0.198 nan 8.370 nan 0.000 0.509 504 V N 2.581 122.504 119.914 0.015 0.000 2.339 504 V HA 0.162 4.282 4.120 0.000 0.000 0.261 504 V C 0.636 176.740 176.094 0.017 0.000 1.058 504 V CA -0.408 61.900 62.300 0.014 0.000 0.897 504 V CB 0.243 32.074 31.823 0.014 0.000 1.052 504 V HN 0.224 nan 8.190 nan 0.000 0.480 505 T N 2.119 116.682 114.554 0.015 0.000 2.898 505 T HA 0.243 4.593 4.350 0.000 0.000 0.301 505 T C 0.462 175.169 174.700 0.012 0.000 1.049 505 T CA -0.349 61.760 62.100 0.014 0.000 1.095 505 T CB 1.272 70.147 68.868 0.012 0.000 0.976 505 T HN 0.574 nan 8.240 nan 0.000 0.539 506 S N 1.154 116.860 115.700 0.011 0.000 2.549 506 S HA 0.176 4.646 4.470 0.000 0.000 0.279 506 S C 0.978 175.581 174.600 0.005 0.000 1.321 506 S CA -0.750 57.455 58.200 0.007 0.000 1.054 506 S CB 0.136 63.339 63.200 0.004 0.000 0.899 506 S HN 0.686 nan 8.310 nan 0.000 0.497 507 K N 2.648 123.051 120.400 0.004 0.000 2.367 507 K HA 0.070 4.390 4.320 0.000 0.000 0.194 507 K C 1.353 177.954 176.600 0.001 0.000 1.027 507 K CA 0.458 56.747 56.287 0.003 0.000 1.075 507 K CB -0.172 32.330 32.500 0.004 0.000 0.845 507 K HN 0.802 nan 8.250 nan 0.000 0.529 508 T N -0.967 113.587 114.554 0.000 0.000 3.330 508 T HA 0.182 4.532 4.350 0.000 0.000 0.249 508 T C 0.193 174.891 174.700 -0.003 0.000 0.980 508 T CA -0.375 61.724 62.100 -0.002 0.000 0.920 508 T CB -0.230 68.636 68.868 -0.003 0.000 1.065 508 T HN 0.335 nan 8.240 nan 0.000 0.588 509 E N 0.000 120.199 120.200 -0.002 0.000 2.725 509 E HA 0.000 4.350 4.350 0.000 0.000 0.291 509 E CA 0.000 56.398 56.400 -0.003 0.000 0.976 509 E CB 0.000 29.697 29.700 -0.004 0.000 0.812 509 E HN 0.000 nan 8.360 nan 0.000 0.440