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 3ocf_1_D DATA FIRST_RESID 0 DATA SEQUENCE SMTRREQDSL GERDIPMDAY FGIQTLRAVE NFSLSDVALN HIPALVRALA DATA SEQUENCE MVKKAAATAN YKLRQLPEPK YAAIVAACDD IIDGLLMEQF VVDVFQGGAG DATA SEQUENCE TSSNMNANEV IANRALEHLG RPRGDYQTIH PNDDVNMSQS TNDVYPTAVR DATA SEQUENCE LALLLSQNQV QTALHRLIAA FEAKGREFAT VIKIGRTQLQ DAVPITLGQE DATA SEQUENCE FEAFAATLRE DTARLEEVAA LFREVNLGGT AXXXXXXXXH AYAEQAIVEL DATA SEQUENCE SQISGIELKA TGNLVEASWD TGAFVTFSGI LRRIAVKLSK IANDLRLLSS DATA SEQUENCE GPRSGLGEIR LPAVQPGSSI MPGKVNPVIP ESVNQVCYQV IGNDLTVTMA DATA SEQUENCE AESGQLQLNA FEPLIVYNIL SSMRLLGRAM TNLAERCVDG IEANVERCRA DATA SEQUENCE GAEESISLAT ALVPVXXXAR AAEIAKQALA SGQTVMEVAI S 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.580 174.600 -0.033 0.000 1.055 0 S CA 0.000 58.185 58.200 -0.025 0.000 1.107 0 S CB 0.000 63.188 63.200 -0.020 0.000 0.593 1 M N 2.396 121.971 119.600 -0.042 0.000 2.252 1 M HA 0.595 5.077 4.480 0.003 0.000 0.329 1 M C 0.517 176.780 176.300 -0.062 0.000 1.101 1 M CA 0.875 56.144 55.300 -0.051 0.000 1.117 1 M CB -1.097 31.468 32.600 -0.057 0.000 1.563 1 M HN 0.741 nan 8.290 nan 0.000 0.445 2 T N -0.052 114.465 114.554 -0.062 0.000 2.883 2 T HA 0.872 5.224 4.350 0.003 0.000 0.296 2 T C -0.518 174.136 174.700 -0.077 0.000 1.117 2 T CA -0.854 61.203 62.100 -0.070 0.000 1.006 2 T CB 1.308 70.147 68.868 -0.049 0.000 1.191 2 T HN 1.259 nan 8.240 nan 0.000 0.508 3 R N 0.199 120.646 120.500 -0.089 0.000 2.803 3 R HA 0.743 5.085 4.340 0.003 0.000 0.276 3 R C -0.640 175.618 176.300 -0.071 0.000 0.978 3 R CA -1.233 54.811 56.100 -0.093 0.000 0.939 3 R CB 1.793 32.012 30.300 -0.134 0.000 1.179 3 R HN 0.726 nan 8.270 nan 0.000 0.472 4 R N 1.464 121.928 120.500 -0.061 0.000 2.265 4 R HA 0.218 4.560 4.340 0.003 0.000 0.319 4 R C -0.848 175.438 176.300 -0.024 0.000 1.006 4 R CA -0.252 55.829 56.100 -0.033 0.000 0.880 4 R CB 1.142 31.428 30.300 -0.023 0.000 1.077 4 R HN 0.746 nan 8.270 nan 0.000 0.454 5 E N 2.356 122.562 120.200 0.010 0.000 2.299 5 E HA 0.226 4.578 4.350 0.003 0.000 0.260 5 E C -1.189 175.451 176.600 0.067 0.000 0.944 5 E CA -0.986 55.450 56.400 0.059 0.000 0.815 5 E CB 2.419 32.190 29.700 0.119 0.000 1.252 5 E HN 0.460 nan 8.360 nan 0.000 0.418 6 Q N 1.291 121.149 119.800 0.096 0.000 2.372 6 Q HA 0.249 4.591 4.340 0.003 0.000 0.273 6 Q C -1.772 174.276 176.000 0.080 0.000 1.078 6 Q CA -0.597 55.252 55.803 0.077 0.000 0.806 6 Q CB 1.558 30.340 28.738 0.073 0.000 1.332 6 Q HN 0.567 nan 8.270 nan 0.000 0.435 7 D N -0.212 120.222 120.400 0.058 0.000 2.781 7 D HA 0.154 4.796 4.640 0.003 0.000 0.295 7 D C 0.478 176.803 176.300 0.043 0.000 1.143 7 D CA -0.102 53.928 54.000 0.051 0.000 1.076 7 D CB 0.266 41.089 40.800 0.037 0.000 1.444 7 D HN 0.442 nan 8.370 nan 0.000 0.567 8 S N -0.925 114.798 115.700 0.037 0.000 2.469 8 S HA -0.106 4.366 4.470 0.003 0.000 0.238 8 S C 1.663 176.277 174.600 0.022 0.000 0.998 8 S CA 0.612 58.829 58.200 0.029 0.000 0.957 8 S CB -0.670 62.546 63.200 0.026 0.000 0.764 8 S HN 0.485 nan 8.310 nan 0.000 0.514 9 L N 0.643 121.878 121.223 0.021 0.000 2.446 9 L HA 0.376 4.718 4.340 0.003 0.000 0.219 9 L C 1.512 178.391 176.870 0.014 0.000 1.116 9 L CA 0.390 55.239 54.840 0.014 0.000 0.844 9 L CB -0.309 41.755 42.059 0.008 0.000 0.970 9 L HN 0.688 nan 8.230 nan 0.000 0.457 10 G N -0.420 108.393 108.800 0.020 0.000 2.302 10 G HA2 -0.029 3.933 3.960 0.003 0.000 0.264 10 G HA3 -0.029 3.933 3.960 0.003 0.000 0.264 10 G C -1.400 173.515 174.900 0.025 0.000 1.335 10 G CA -0.823 44.288 45.100 0.020 0.000 0.982 10 G HN 0.005 nan 8.290 nan 0.000 0.473 11 E N 0.104 120.316 120.200 0.021 0.000 2.207 11 E HA 0.754 5.105 4.350 0.003 0.000 0.270 11 E C -0.421 176.190 176.600 0.019 0.000 0.927 11 E CA -0.887 55.527 56.400 0.023 0.000 0.799 11 E CB 1.725 31.436 29.700 0.018 0.000 1.172 11 E HN 0.383 nan 8.360 nan 0.000 0.404 12 R N 1.428 121.942 120.500 0.022 0.000 2.707 12 R HA 0.327 4.669 4.340 0.003 0.000 0.272 12 R C -1.404 174.904 176.300 0.014 0.000 1.011 12 R CA -0.835 55.276 56.100 0.019 0.000 0.893 12 R CB 1.383 31.701 30.300 0.029 0.000 1.233 12 R HN 0.540 nan 8.270 nan 0.000 0.464 13 D N 2.169 122.573 120.400 0.007 0.000 2.225 13 D HA 0.347 4.988 4.640 0.003 0.000 0.248 13 D C 0.190 176.490 176.300 -0.001 0.000 1.096 13 D CA -0.176 53.821 54.000 -0.005 0.000 0.863 13 D CB 1.490 42.283 40.800 -0.010 0.000 1.156 13 D HN 0.137 nan 8.370 nan 0.000 0.450 14 I N 2.775 123.330 120.570 -0.025 0.000 2.474 14 I HA 0.260 4.431 4.170 0.003 0.000 0.294 14 I C -2.322 173.737 176.117 -0.097 0.000 1.005 14 I CA -3.047 58.226 61.300 -0.045 0.000 1.113 14 I CB 1.174 39.131 38.000 -0.072 0.000 1.289 14 I HN -0.104 nan 8.210 nan 0.000 0.436 15 P HA 0.055 nan 4.420 nan 0.000 0.261 15 P C 0.918 178.102 177.300 -0.193 0.000 1.183 15 P CA -0.055 62.970 63.100 -0.125 0.000 0.761 15 P CB 0.511 32.147 31.700 -0.106 0.000 0.785 16 M N 4.660 124.167 119.600 -0.154 0.000 2.089 16 M HA -0.246 4.236 4.480 0.003 0.000 0.257 16 M C 0.934 177.093 176.300 -0.235 0.000 1.071 16 M CA 2.222 57.418 55.300 -0.174 0.000 1.096 16 M CB -0.969 31.552 32.600 -0.131 0.000 1.330 16 M HN 0.316 nan 8.290 nan 0.000 0.403 17 D N -0.062 120.202 120.400 -0.226 0.000 2.323 17 D HA 0.189 4.831 4.640 0.003 0.000 0.209 17 D C 0.739 176.798 176.300 -0.402 0.000 0.973 17 D CA 0.645 54.474 54.000 -0.286 0.000 0.874 17 D CB -1.178 39.511 40.800 -0.185 0.000 0.930 17 D HN 0.437 nan 8.370 nan 0.000 0.521 18 A N -0.080 122.501 122.820 -0.398 0.000 2.587 18 A HA -0.022 4.300 4.320 0.003 0.000 0.235 18 A C 0.090 177.359 177.584 -0.524 0.000 1.044 18 A CA 0.134 51.833 52.037 -0.563 0.000 0.754 18 A CB -0.151 18.180 19.000 -1.115 0.000 0.968 18 A HN 0.286 nan 8.150 nan 0.000 0.509 19 Y N 1.492 121.613 120.300 -0.300 0.000 2.510 19 Y HA 0.145 4.696 4.550 0.003 0.000 0.273 19 Y C 0.878 176.712 175.900 -0.109 0.000 1.119 19 Y CA 0.490 58.502 58.100 -0.147 0.000 1.286 19 Y CB -0.153 38.271 38.460 -0.060 0.000 1.061 19 Y HN 0.750 nan 8.280 nan 0.000 0.542 20 F N -0.584 119.397 119.950 0.052 0.000 2.368 20 F HA 0.744 5.273 4.527 0.003 0.000 0.308 20 F C 0.695 176.506 175.800 0.019 0.000 1.198 20 F CA -1.086 56.904 58.000 -0.018 0.000 1.130 20 F CB 0.013 38.969 39.000 -0.074 0.000 1.300 20 F HN -0.133 nan 8.300 nan 0.000 0.537 21 G N -0.049 108.936 108.800 0.309 0.000 3.262 21 G HA2 0.344 4.306 3.960 0.003 0.000 0.229 21 G HA3 0.344 4.306 3.960 0.003 0.000 0.229 21 G C 0.148 175.193 174.900 0.241 0.000 1.280 21 G CA -0.481 44.739 45.100 0.201 0.000 0.951 21 G HN 0.998 nan 8.290 nan 0.000 0.589 22 I N -0.211 120.450 120.570 0.152 0.000 2.264 22 I HA -0.193 3.978 4.170 0.003 0.000 0.248 22 I C 2.571 178.742 176.117 0.090 0.000 1.111 22 I CA 1.616 62.986 61.300 0.116 0.000 1.382 22 I CB 0.017 38.069 38.000 0.087 0.000 1.060 22 I HN 0.536 nan 8.210 nan 0.000 0.418 23 Q N -0.449 119.392 119.800 0.068 0.000 2.187 23 Q HA -0.119 4.223 4.340 0.003 0.000 0.199 23 Q C 2.014 178.037 176.000 0.038 0.000 0.957 23 Q CA 1.875 57.702 55.803 0.041 0.000 0.857 23 Q CB -0.088 28.664 28.738 0.023 0.000 0.929 23 Q HN 0.487 nan 8.270 nan 0.000 0.453 24 T N 1.840 116.425 114.554 0.052 0.000 2.777 24 T HA -0.120 4.231 4.350 0.003 0.000 0.266 24 T C 1.794 176.430 174.700 -0.107 0.000 1.040 24 T CA 0.844 62.925 62.100 -0.033 0.000 1.141 24 T CB -0.212 68.620 68.868 -0.060 0.000 0.868 24 T HN 0.124 nan 8.240 nan 0.000 0.444 25 L N 1.627 122.864 121.223 0.024 0.000 2.012 25 L HA -0.080 4.262 4.340 0.003 0.000 0.210 25 L C 2.450 179.305 176.870 -0.025 0.000 1.073 25 L CA 1.751 56.612 54.840 0.035 0.000 0.748 25 L CB -0.479 41.697 42.059 0.195 0.000 0.891 25 L HN 0.068 nan 8.230 nan 0.000 0.431 26 R N -0.360 120.131 120.500 -0.015 0.000 2.091 26 R HA -0.168 4.173 4.340 0.003 0.000 0.238 26 R C 2.242 178.460 176.300 -0.137 0.000 1.136 26 R CA 1.453 57.514 56.100 -0.065 0.000 0.959 26 R CB -0.836 29.436 30.300 -0.046 0.000 0.856 26 R HN 0.571 nan 8.270 nan 0.000 0.437 27 A N 0.773 123.546 122.820 -0.079 0.000 1.933 27 A HA -0.104 4.217 4.320 0.003 0.000 0.218 27 A C 2.391 179.944 177.584 -0.051 0.000 1.175 27 A CA 1.322 53.341 52.037 -0.029 0.000 0.628 27 A CB -0.473 18.638 19.000 0.185 0.000 0.814 27 A HN 0.121 nan 8.150 nan 0.000 0.444 28 V N 0.223 120.085 119.914 -0.087 0.000 2.332 28 V HA -0.295 3.827 4.120 0.003 0.000 0.248 28 V C 2.377 178.413 176.094 -0.096 0.000 1.055 28 V CA 2.383 64.626 62.300 -0.094 0.000 1.038 28 V CB -0.857 30.870 31.823 -0.160 0.000 0.651 28 V HN 0.662 nan 8.190 nan 0.000 0.450 29 E N 0.015 120.139 120.200 -0.126 0.000 2.152 29 E HA -0.157 4.195 4.350 0.003 0.000 0.192 29 E C 2.001 178.479 176.600 -0.203 0.000 0.983 29 E CA 1.082 57.405 56.400 -0.129 0.000 0.818 29 E CB -0.168 29.467 29.700 -0.109 0.000 0.758 29 E HN 0.561 nan 8.360 nan 0.000 0.467 30 N N -0.147 118.321 118.700 -0.387 0.000 2.333 30 N HA -0.035 4.707 4.740 0.003 0.000 0.178 30 N C 0.320 175.442 175.510 -0.646 0.000 1.018 30 N CA 0.854 53.493 53.050 -0.686 0.000 0.882 30 N CB 0.261 37.977 38.487 -1.284 0.000 0.984 30 N HN 0.103 nan 8.380 nan 0.000 0.434 31 F N -0.404 119.539 119.950 -0.013 0.000 2.835 31 F HA 0.298 4.827 4.527 0.003 0.000 0.342 31 F C 0.577 176.373 175.800 -0.006 0.000 1.202 31 F CA -0.996 57.004 58.000 -0.000 0.000 1.240 31 F CB -0.151 38.857 39.000 0.013 0.000 1.005 31 F HN -0.276 nan 8.300 nan 0.000 0.507 32 S N 1.574 117.324 115.700 0.082 0.000 2.437 32 S HA 0.364 4.835 4.470 0.003 0.000 0.304 32 S C 0.643 175.260 174.600 0.029 0.000 1.167 32 S CA 0.074 58.300 58.200 0.043 0.000 1.106 32 S CB -0.020 63.180 63.200 -0.001 0.000 1.099 32 S HN 0.510 nan 8.310 nan 0.000 0.524 33 L N 3.992 125.230 121.223 0.024 0.000 2.815 33 L HA 0.216 4.558 4.340 0.003 0.000 0.241 33 L C 1.907 178.699 176.870 -0.129 0.000 1.047 33 L CA 0.403 55.212 54.840 -0.052 0.000 0.939 33 L CB -0.062 41.965 42.059 -0.054 0.000 1.490 33 L HN 0.716 nan 8.230 nan 0.000 0.510 34 S N -3.495 112.157 115.700 -0.081 0.000 2.687 34 S HA 0.117 4.589 4.470 0.003 0.000 0.247 34 S C 0.332 174.909 174.600 -0.039 0.000 1.050 34 S CA -0.056 58.086 58.200 -0.097 0.000 1.063 34 S CB 0.520 63.691 63.200 -0.048 0.000 1.039 34 S HN 0.255 nan 8.310 nan 0.000 0.580 35 D N 0.566 120.954 120.400 -0.021 0.000 3.012 35 D HA -0.107 4.535 4.640 0.003 0.000 0.222 35 D C -0.774 175.506 176.300 -0.033 0.000 1.167 35 D CA 0.835 54.823 54.000 -0.020 0.000 0.854 35 D CB -1.630 39.156 40.800 -0.023 0.000 1.107 35 D HN 0.452 nan 8.370 nan 0.000 0.421 36 V N 0.177 120.070 119.914 -0.034 0.000 2.350 36 V HA 0.712 4.833 4.120 0.003 0.000 0.285 36 V C 0.662 176.729 176.094 -0.046 0.000 1.014 36 V CA -0.348 61.902 62.300 -0.085 0.000 0.831 36 V CB 1.645 33.382 31.823 -0.143 0.000 1.000 36 V HN 0.282 nan 8.190 nan 0.000 0.433 37 A N 3.682 126.507 122.820 0.008 0.000 2.248 37 A HA 0.732 5.054 4.320 0.003 0.000 0.316 37 A C 0.866 178.492 177.584 0.070 0.000 1.101 37 A CA -0.526 51.532 52.037 0.035 0.000 0.875 37 A CB 0.588 19.618 19.000 0.051 0.000 1.207 37 A HN 0.636 nan 8.150 nan 0.000 0.504 38 L N 0.564 121.836 121.223 0.083 0.000 2.127 38 L HA -0.178 4.163 4.340 0.003 0.000 0.211 38 L C 2.064 178.994 176.870 0.101 0.000 1.089 38 L CA 2.475 57.372 54.840 0.097 0.000 0.757 38 L CB -1.194 40.962 42.059 0.161 0.000 0.899 38 L HN 0.927 nan 8.230 nan 0.000 0.434 39 N N -2.335 116.449 118.700 0.140 0.000 2.585 39 N HA -0.238 4.504 4.740 0.003 0.000 0.188 39 N C 1.647 177.223 175.510 0.109 0.000 1.102 39 N CA 1.288 54.405 53.050 0.111 0.000 0.920 39 N CB -0.760 37.815 38.487 0.146 0.000 0.963 39 N HN 0.529 nan 8.380 nan 0.000 0.447 40 H N 0.377 119.472 119.070 0.042 0.000 2.551 40 H HA 0.234 4.792 4.556 0.003 0.000 0.266 40 H C 0.344 175.708 175.328 0.060 0.000 0.964 40 H CA 0.337 56.419 56.048 0.055 0.000 1.180 40 H CB 0.160 29.968 29.762 0.076 0.000 1.408 40 H HN 0.439 nan 8.280 nan 0.000 0.563 41 I N -1.685 118.900 120.570 0.025 0.000 2.859 41 I HA 0.340 4.511 4.170 0.003 0.000 0.296 41 I C -2.166 173.907 176.117 -0.074 0.000 1.300 41 I CA -2.047 59.230 61.300 -0.037 0.000 1.020 41 I CB 1.497 39.525 38.000 0.045 0.000 1.823 41 I HN -0.098 nan 8.210 nan 0.000 0.599 42 P HA -0.197 nan 4.420 nan 0.000 0.219 42 P C 1.657 178.874 177.300 -0.139 0.000 1.146 42 P CA 1.682 64.710 63.100 -0.120 0.000 0.808 42 P CB 0.411 32.053 31.700 -0.096 0.000 0.779 43 A N 0.204 122.951 122.820 -0.121 0.000 1.948 43 A HA -0.193 4.129 4.320 0.003 0.000 0.220 43 A C 2.210 179.706 177.584 -0.148 0.000 1.177 43 A CA 1.719 53.681 52.037 -0.125 0.000 0.636 43 A CB -1.602 17.329 19.000 -0.115 0.000 0.815 43 A HN 0.220 nan 8.150 nan 0.000 0.449 44 L N -0.239 120.896 121.223 -0.148 0.000 2.109 44 L HA -0.060 4.282 4.340 0.003 0.000 0.207 44 L C 2.350 179.109 176.870 -0.184 0.000 1.086 44 L CA 1.679 56.422 54.840 -0.163 0.000 0.760 44 L CB -0.416 41.563 42.059 -0.133 0.000 0.910 44 L HN 0.147 nan 8.230 nan 0.000 0.437 45 V N -0.014 119.755 119.914 -0.242 0.000 2.295 45 V HA -0.282 3.840 4.120 0.003 0.000 0.246 45 V C 2.706 178.592 176.094 -0.347 0.000 1.049 45 V CA 2.108 64.146 62.300 -0.436 0.000 1.024 45 V CB -0.727 30.693 31.823 -0.671 0.000 0.648 45 V HN 0.446 nan 8.190 nan 0.000 0.447 46 R N 0.220 120.574 120.500 -0.243 0.000 2.081 46 R HA -0.118 4.224 4.340 0.003 0.000 0.235 46 R C 2.471 178.691 176.300 -0.133 0.000 1.131 46 R CA 1.497 57.496 56.100 -0.169 0.000 0.960 46 R CB -0.663 29.559 30.300 -0.130 0.000 0.856 46 R HN 0.534 nan 8.270 nan 0.000 0.436 47 A N 1.319 124.058 122.820 -0.137 0.000 1.902 47 A HA -0.138 4.183 4.320 0.003 0.000 0.217 47 A C 2.202 179.730 177.584 -0.094 0.000 1.181 47 A CA 1.157 53.124 52.037 -0.116 0.000 0.623 47 A CB -0.553 18.362 19.000 -0.141 0.000 0.818 47 A HN 0.180 nan 8.150 nan 0.000 0.443 48 L N -0.828 120.336 121.223 -0.099 0.000 2.017 48 L HA -0.229 4.113 4.340 0.003 0.000 0.208 48 L C 3.128 179.990 176.870 -0.014 0.000 1.073 48 L CA 1.190 56.005 54.840 -0.041 0.000 0.745 48 L CB -0.513 41.537 42.059 -0.015 0.000 0.894 48 L HN 0.453 nan 8.230 nan 0.000 0.432 49 A N -0.474 122.320 122.820 -0.044 0.000 1.933 49 A HA -0.242 4.080 4.320 0.003 0.000 0.218 49 A C 2.285 179.860 177.584 -0.015 0.000 1.175 49 A CA 1.760 53.788 52.037 -0.015 0.000 0.628 49 A CB -0.465 18.510 19.000 -0.042 0.000 0.814 49 A HN 0.360 nan 8.150 nan 0.000 0.444 50 M N -0.802 118.777 119.600 -0.035 0.000 2.086 50 M HA -0.144 4.338 4.480 0.003 0.000 0.261 50 M C 2.128 178.423 176.300 -0.009 0.000 1.067 50 M CA 1.499 56.783 55.300 -0.027 0.000 1.116 50 M CB -0.514 32.061 32.600 -0.041 0.000 1.348 50 M HN 0.266 nan 8.290 nan 0.000 0.407 51 V N 0.513 120.423 119.914 -0.006 0.000 2.287 51 V HA -0.275 3.847 4.120 0.003 0.000 0.248 51 V C 2.426 178.546 176.094 0.043 0.000 1.053 51 V CA 1.609 63.918 62.300 0.014 0.000 1.027 51 V CB -0.768 31.064 31.823 0.015 0.000 0.646 51 V HN 0.383 nan 8.190 nan 0.000 0.447 52 K N 0.340 120.770 120.400 0.049 0.000 2.063 52 K HA -0.204 4.118 4.320 0.003 0.000 0.208 52 K C 2.117 178.757 176.600 0.067 0.000 1.048 52 K CA 1.517 57.846 56.287 0.070 0.000 0.928 52 K CB -0.430 32.114 32.500 0.073 0.000 0.713 52 K HN 0.472 nan 8.250 nan 0.000 0.442 53 K N 0.761 121.184 120.400 0.039 0.000 2.025 53 K HA -0.075 4.247 4.320 0.003 0.000 0.207 53 K C 2.119 178.758 176.600 0.064 0.000 1.049 53 K CA 1.200 57.505 56.287 0.030 0.000 0.933 53 K CB -0.088 32.408 32.500 -0.007 0.000 0.714 53 K HN 0.046 nan 8.250 nan 0.000 0.438 54 A N 1.272 124.119 122.820 0.044 0.000 1.892 54 A HA -0.176 4.146 4.320 0.003 0.000 0.218 54 A C 2.359 179.973 177.584 0.051 0.000 1.188 54 A CA 2.192 54.249 52.037 0.033 0.000 0.631 54 A CB -0.927 18.073 19.000 0.001 0.000 0.822 54 A HN 0.518 nan 8.150 nan 0.000 0.447 55 A N -0.387 122.485 122.820 0.087 0.000 1.902 55 A HA 0.179 4.501 4.320 0.003 0.000 0.217 55 A C 2.503 180.223 177.584 0.226 0.000 1.181 55 A CA 2.092 54.231 52.037 0.171 0.000 0.623 55 A CB -0.990 18.135 19.000 0.209 0.000 0.818 55 A HN 1.106 nan 8.150 nan 0.000 0.443 56 A N -1.011 121.931 122.820 0.203 0.000 1.933 56 A HA -0.066 4.256 4.320 0.003 0.000 0.218 56 A C 2.289 180.098 177.584 0.374 0.000 1.175 56 A CA 2.240 54.441 52.037 0.273 0.000 0.628 56 A CB -1.160 17.971 19.000 0.218 0.000 0.814 56 A HN 0.429 nan 8.150 nan 0.000 0.444 57 T N 0.202 114.957 114.554 0.336 0.000 2.777 57 T HA 0.031 4.383 4.350 0.003 0.000 0.266 57 T C 2.227 177.015 174.700 0.147 0.000 1.040 57 T CA 1.456 63.739 62.100 0.305 0.000 1.141 57 T CB -0.391 68.624 68.868 0.244 0.000 0.868 57 T HN 0.575 nan 8.240 nan 0.000 0.444 58 A N 2.322 125.198 122.820 0.094 0.000 1.930 58 A HA -0.121 4.201 4.320 0.003 0.000 0.217 58 A C 2.268 179.966 177.584 0.191 0.000 1.175 58 A CA 1.259 53.306 52.037 0.016 0.000 0.627 58 A CB -0.543 18.268 19.000 -0.314 0.000 0.815 58 A HN 0.369 nan 8.150 nan 0.000 0.443 59 N N -1.273 117.615 118.700 0.313 0.000 2.120 59 N HA -0.179 4.562 4.740 0.003 0.000 0.188 59 N C 1.611 177.212 175.510 0.152 0.000 1.024 59 N CA 1.714 54.925 53.050 0.268 0.000 0.852 59 N CB -0.576 38.055 38.487 0.241 0.000 1.003 59 N HN 0.665 nan 8.380 nan 0.000 0.424 60 Y N 2.125 122.397 120.300 -0.046 0.000 2.181 60 Y HA -0.152 4.400 4.550 0.003 0.000 0.288 60 Y C 2.086 177.873 175.900 -0.190 0.000 1.146 60 Y CA 1.676 59.634 58.100 -0.236 0.000 1.164 60 Y CB -0.058 37.926 38.460 -0.792 0.000 0.982 60 Y HN -0.051 nan 8.280 nan 0.000 0.515 61 K N -0.486 119.805 120.400 -0.182 0.000 2.103 61 K HA -0.030 4.292 4.320 0.003 0.000 0.204 61 K C 1.647 178.165 176.600 -0.136 0.000 1.052 61 K CA 1.674 57.834 56.287 -0.212 0.000 0.945 61 K CB -0.024 32.425 32.500 -0.086 0.000 0.722 61 K HN 0.357 nan 8.250 nan 0.000 0.443 62 L N -0.891 120.311 121.223 -0.035 0.000 2.749 62 L HA 0.186 4.527 4.340 0.003 0.000 0.242 62 L C 1.218 178.102 176.870 0.023 0.000 1.103 62 L CA 0.008 54.856 54.840 0.012 0.000 0.906 62 L CB 0.495 42.605 42.059 0.085 0.000 1.228 62 L HN -0.051 nan 8.230 nan 0.000 0.517 63 R N 0.277 120.793 120.500 0.026 0.000 2.590 63 R HA 0.209 4.551 4.340 0.003 0.000 0.410 63 R C -0.303 175.997 176.300 -0.000 0.000 1.010 63 R CA -0.085 56.023 56.100 0.015 0.000 1.155 63 R CB 0.758 31.070 30.300 0.019 0.000 1.455 63 R HN 0.165 nan 8.270 nan 0.000 0.567 64 Q N 0.433 120.214 119.800 -0.031 0.000 2.481 64 Q HA -0.189 4.153 4.340 0.003 0.000 0.272 64 Q C -0.318 175.695 176.000 0.022 0.000 1.157 64 Q CA 0.499 56.281 55.803 -0.035 0.000 0.935 64 Q CB -1.690 27.030 28.738 -0.030 0.000 1.338 64 Q HN 0.254 nan 8.270 nan 0.000 0.494 65 L N 1.129 122.392 121.223 0.066 0.000 2.559 65 L HA 0.202 4.544 4.340 0.003 0.000 0.274 65 L C -1.958 175.023 176.870 0.185 0.000 1.205 65 L CA -0.884 54.037 54.840 0.135 0.000 0.907 65 L CB 0.520 42.696 42.059 0.195 0.000 1.153 65 L HN -0.137 nan 8.230 nan 0.000 0.490 66 P HA 0.006 nan 4.420 nan 0.000 0.268 66 P C 0.233 177.690 177.300 0.262 0.000 1.205 66 P CA -0.121 63.082 63.100 0.172 0.000 0.771 66 P CB 0.585 32.358 31.700 0.121 0.000 0.858 67 E N 5.608 125.984 120.200 0.292 0.000 2.085 67 E HA -0.171 4.181 4.350 0.003 0.000 0.194 67 E C -0.904 175.820 176.600 0.206 0.000 0.994 67 E CA 2.027 58.634 56.400 0.345 0.000 0.801 67 E CB -1.639 28.268 29.700 0.344 0.000 0.743 67 E HN 0.332 nan 8.360 nan 0.000 0.453 68 P HA -0.159 nan 4.420 nan 0.000 0.215 68 P C 1.228 178.579 177.300 0.084 0.000 1.153 68 P CA 1.539 64.695 63.100 0.093 0.000 0.853 68 P CB -0.170 31.579 31.700 0.082 0.000 0.788 69 K N -1.086 119.384 120.400 0.117 0.000 2.026 69 K HA -0.187 4.135 4.320 0.003 0.000 0.208 69 K C 2.460 179.118 176.600 0.097 0.000 1.048 69 K CA 1.385 57.738 56.287 0.110 0.000 0.929 69 K CB -0.929 31.651 32.500 0.132 0.000 0.713 69 K HN 0.065 nan 8.250 nan 0.000 0.439 70 Y N 1.679 121.984 120.300 0.008 0.000 2.069 70 Y HA -0.339 4.213 4.550 0.003 0.000 0.278 70 Y C 2.169 177.990 175.900 -0.132 0.000 1.175 70 Y CA 1.734 59.792 58.100 -0.070 0.000 1.134 70 Y CB -0.574 37.772 38.460 -0.190 0.000 0.965 70 Y HN 0.062 nan 8.280 nan 0.000 0.498 71 A N 0.466 123.075 122.820 -0.352 0.000 1.929 71 A HA 0.026 4.348 4.320 0.003 0.000 0.216 71 A C 2.448 179.846 177.584 -0.310 0.000 1.176 71 A CA 1.625 53.398 52.037 -0.440 0.000 0.628 71 A CB -1.483 17.390 19.000 -0.211 0.000 0.816 71 A HN 0.665 nan 8.150 nan 0.000 0.444 72 A N 0.237 122.959 122.820 -0.164 0.000 1.883 72 A HA -0.133 4.189 4.320 0.003 0.000 0.217 72 A C 2.116 179.624 177.584 -0.128 0.000 1.186 72 A CA 1.647 53.620 52.037 -0.106 0.000 0.624 72 A CB -0.664 18.343 19.000 0.010 0.000 0.822 72 A HN 0.485 nan 8.150 nan 0.000 0.444 73 I N -0.625 119.881 120.570 -0.106 0.000 2.226 73 I HA -0.212 3.960 4.170 0.003 0.000 0.245 73 I C 2.343 178.373 176.117 -0.144 0.000 1.100 73 I CA 1.096 62.353 61.300 -0.071 0.000 1.374 73 I CB -0.244 37.748 38.000 -0.012 0.000 1.057 73 I HN 0.162 nan 8.210 nan 0.000 0.413 74 V N 0.847 120.584 119.914 -0.295 0.000 2.427 74 V HA -0.263 3.859 4.120 0.003 0.000 0.248 74 V C 2.684 178.625 176.094 -0.256 0.000 1.051 74 V CA 1.859 63.972 62.300 -0.313 0.000 1.048 74 V CB -0.835 30.662 31.823 -0.544 0.000 0.666 74 V HN 0.487 nan 8.190 nan 0.000 0.456 75 A N 0.070 122.693 122.820 -0.329 0.000 1.908 75 A HA -0.176 4.146 4.320 0.003 0.000 0.218 75 A C 2.425 179.857 177.584 -0.254 0.000 1.181 75 A CA 2.215 54.008 52.037 -0.407 0.000 0.627 75 A CB -0.789 17.726 19.000 -0.808 0.000 0.818 75 A HN 0.577 nan 8.150 nan 0.000 0.445 76 A N -1.038 121.700 122.820 -0.137 0.000 1.902 76 A HA -0.162 4.160 4.320 0.003 0.000 0.217 76 A C 2.305 179.901 177.584 0.020 0.000 1.181 76 A CA 1.696 53.758 52.037 0.041 0.000 0.623 76 A CB -1.247 17.808 19.000 0.093 0.000 0.818 76 A HN 0.622 nan 8.150 nan 0.000 0.443 77 C N -0.478 118.811 119.300 -0.019 0.000 2.446 77 C HA -0.075 4.387 4.460 0.003 0.000 0.277 77 C C 2.351 177.325 174.990 -0.027 0.000 1.275 77 C CA 0.911 59.922 59.018 -0.010 0.000 1.727 77 C CB -1.158 26.568 27.740 -0.023 0.000 2.010 77 C HN 0.589 nan 8.230 nan 0.000 0.486 78 D N 1.134 121.503 120.400 -0.052 0.000 2.123 78 D HA -0.117 4.525 4.640 0.003 0.000 0.196 78 D C 1.674 177.959 176.300 -0.024 0.000 0.992 78 D CA 1.384 55.356 54.000 -0.048 0.000 0.833 78 D CB -0.565 40.193 40.800 -0.070 0.000 0.954 78 D HN 0.480 nan 8.370 nan 0.000 0.455 79 D N 0.320 120.719 120.400 -0.001 0.000 2.104 79 D HA -0.117 4.524 4.640 0.003 0.000 0.194 79 D C 2.335 178.635 176.300 0.000 0.000 0.994 79 D CA 0.550 54.561 54.000 0.017 0.000 0.830 79 D CB -0.348 40.487 40.800 0.057 0.000 0.959 79 D HN 0.292 nan 8.370 nan 0.000 0.452 80 I N 0.657 121.230 120.570 0.005 0.000 2.179 80 I HA -0.218 3.954 4.170 0.003 0.000 0.242 80 I C 2.412 178.495 176.117 -0.056 0.000 1.088 80 I CA 0.661 61.954 61.300 -0.012 0.000 1.357 80 I CB -0.196 37.814 38.000 0.018 0.000 1.051 80 I HN -0.067 nan 8.210 nan 0.000 0.409 81 I N 0.793 121.333 120.570 -0.050 0.000 2.248 81 I HA -0.320 3.852 4.170 0.003 0.000 0.248 81 I C 1.394 177.480 176.117 -0.051 0.000 1.107 81 I CA 1.416 62.681 61.300 -0.059 0.000 1.373 81 I CB -0.407 37.564 38.000 -0.048 0.000 1.055 81 I HN 0.248 nan 8.210 nan 0.000 0.418 82 D N 0.263 120.641 120.400 -0.036 0.000 2.340 82 D HA 0.118 4.760 4.640 0.003 0.000 0.220 82 D C 1.540 177.824 176.300 -0.027 0.000 1.039 82 D CA 0.947 54.930 54.000 -0.028 0.000 0.866 82 D CB 0.565 41.354 40.800 -0.018 0.000 0.913 82 D HN 0.461 nan 8.370 nan 0.000 0.523 83 G N 0.304 109.083 108.800 -0.034 0.000 2.179 83 G HA2 -0.225 3.737 3.960 0.003 0.000 0.220 83 G HA3 -0.225 3.737 3.960 0.003 0.000 0.220 83 G C 0.263 175.154 174.900 -0.014 0.000 0.990 83 G CA -0.236 44.846 45.100 -0.030 0.000 0.646 83 G HN 0.294 nan 8.290 nan 0.000 0.517 84 L N 0.397 121.614 121.223 -0.010 0.000 2.439 84 L HA 0.654 4.995 4.340 0.003 0.000 0.259 84 L C 1.883 178.759 176.870 0.010 0.000 1.129 84 L CA -0.579 54.257 54.840 -0.007 0.000 0.803 84 L CB 0.807 42.854 42.059 -0.020 0.000 1.161 84 L HN 0.186 nan 8.230 nan 0.000 0.462 85 L N -0.421 120.799 121.223 -0.005 0.000 4.429 85 L HA -0.291 4.051 4.340 0.003 0.000 0.422 85 L C 1.479 178.469 176.870 0.201 0.000 1.149 85 L CA -0.117 54.729 54.840 0.010 0.000 0.972 85 L CB -1.131 40.867 42.059 -0.102 0.000 2.059 85 L HN 0.707 nan 8.230 nan 0.000 0.870 86 M N 0.921 120.620 119.600 0.165 0.000 2.149 86 M HA -0.152 4.329 4.480 0.003 0.000 0.261 86 M C 2.330 178.788 176.300 0.262 0.000 1.064 86 M CA 2.501 57.926 55.300 0.208 0.000 1.102 86 M CB -0.427 32.221 32.600 0.080 0.000 1.369 86 M HN 0.499 nan 8.290 nan 0.000 0.408 87 E N -1.158 119.148 120.200 0.177 0.000 2.472 87 E HA -0.183 4.168 4.350 0.003 0.000 0.200 87 E C 1.130 177.837 176.600 0.177 0.000 1.046 87 E CA 0.841 57.336 56.400 0.158 0.000 0.871 87 E CB -0.557 29.217 29.700 0.123 0.000 0.806 87 E HN 0.507 nan 8.360 nan 0.000 0.533 88 Q N -0.151 119.759 119.800 0.183 0.000 2.425 88 Q HA 0.124 4.466 4.340 0.003 0.000 0.204 88 Q C -0.176 175.745 176.000 -0.132 0.000 0.933 88 Q CA 0.165 56.035 55.803 0.111 0.000 0.939 88 Q CB -0.053 28.699 28.738 0.023 0.000 1.044 88 Q HN 0.267 nan 8.270 nan 0.000 0.513 89 F N 1.322 121.318 119.950 0.078 0.000 2.451 89 F HA 0.087 4.616 4.527 0.003 0.000 0.356 89 F C 1.217 177.018 175.800 0.001 0.000 1.178 89 F CA -0.515 57.505 58.000 0.034 0.000 1.210 89 F CB 0.496 39.515 39.000 0.032 0.000 1.504 89 F HN -0.219 nan 8.300 nan 0.000 0.598 90 V N -0.666 119.243 119.914 -0.009 0.000 3.605 90 V HA 0.233 4.355 4.120 0.003 0.000 0.284 90 V C 0.460 176.516 176.094 -0.064 0.000 1.386 90 V CA -0.181 62.080 62.300 -0.065 0.000 1.053 90 V CB -0.413 31.271 31.823 -0.231 0.000 0.857 90 V HN 0.138 nan 8.190 nan 0.000 0.436 91 V N 2.651 122.544 119.914 -0.036 0.000 2.655 91 V HA 0.130 4.252 4.120 0.003 0.000 0.300 91 V C 0.603 176.716 176.094 0.032 0.000 1.044 91 V CA 0.160 62.467 62.300 0.011 0.000 1.095 91 V CB 0.728 32.573 31.823 0.037 0.000 0.952 91 V HN 0.506 nan 8.190 nan 0.000 0.485 92 D N 2.713 123.147 120.400 0.057 0.000 2.443 92 D HA -0.001 4.640 4.640 0.003 0.000 0.239 92 D C 1.217 177.501 176.300 -0.027 0.000 1.136 92 D CA 0.112 54.139 54.000 0.045 0.000 0.879 92 D CB 1.799 42.672 40.800 0.121 0.000 1.195 92 D HN 0.451 nan 8.370 nan 0.000 0.443 93 V N 2.312 122.150 119.914 -0.126 0.000 2.720 93 V HA -0.172 3.949 4.120 0.003 0.000 0.256 93 V C 1.740 177.589 176.094 -0.408 0.000 1.082 93 V CA 1.080 63.182 62.300 -0.330 0.000 1.101 93 V CB -0.961 30.421 31.823 -0.736 0.000 0.693 93 V HN 0.434 nan 8.190 nan 0.000 0.479 94 F N 2.199 122.024 119.950 -0.208 0.000 2.804 94 F HA 0.200 4.729 4.527 0.003 0.000 0.303 94 F C 1.624 177.301 175.800 -0.205 0.000 1.154 94 F CA -0.279 57.634 58.000 -0.145 0.000 1.401 94 F CB -0.578 38.368 39.000 -0.089 0.000 1.106 94 F HN 0.382 nan 8.300 nan 0.000 0.568 95 Q N 0.876 120.549 119.800 -0.212 0.000 2.348 95 Q HA 0.085 4.427 4.340 0.003 0.000 0.331 95 Q C 0.659 176.179 176.000 -0.800 0.000 1.099 95 Q CA 0.385 55.729 55.803 -0.766 0.000 1.021 95 Q CB 0.330 28.698 28.738 -0.616 0.000 1.166 95 Q HN 0.293 nan 8.270 nan 0.000 0.393 96 G N 0.685 108.702 108.800 -1.305 0.000 2.563 96 G HA2 0.445 4.406 3.960 0.003 0.000 0.283 96 G HA3 0.445 4.406 3.960 0.003 0.000 0.283 96 G C 0.745 175.336 174.900 -0.514 0.000 1.309 96 G CA -0.424 44.343 45.100 -0.554 0.000 1.022 96 G HN 1.439 nan 8.290 nan 0.000 0.501 97 G N -2.304 106.374 108.800 -0.204 0.000 2.141 97 G HA2 0.181 4.143 3.960 0.003 0.000 0.231 97 G HA3 0.181 4.143 3.960 0.003 0.000 0.231 97 G C 1.084 175.858 174.900 -0.210 0.000 0.984 97 G CA 1.115 46.127 45.100 -0.145 0.000 0.660 97 G HN 2.429 nan 8.290 nan 0.000 0.525 98 A N -1.420 121.251 122.820 -0.249 0.000 2.829 98 A HA 0.348 4.670 4.320 0.003 0.000 0.267 98 A C 2.231 179.516 177.584 -0.498 0.000 1.370 98 A CA 2.096 53.968 52.037 -0.275 0.000 0.900 98 A CB -1.377 17.509 19.000 -0.190 0.000 1.044 98 A HN 2.860 nan 8.150 nan 0.000 0.691 99 G N -4.546 103.844 108.800 -0.683 0.000 2.231 99 G HA2 -0.102 3.860 3.960 0.003 0.000 0.206 99 G HA3 -0.102 3.860 3.960 0.003 0.000 0.206 99 G C 1.252 175.831 174.900 -0.536 0.000 0.996 99 G CA 1.115 45.474 45.100 -1.235 0.000 0.645 99 G HN 1.351 nan 8.290 nan 0.000 0.498 100 T N 1.522 115.903 114.554 -0.288 0.000 2.653 100 T HA -0.171 4.181 4.350 0.003 0.000 0.268 100 T C 2.550 177.215 174.700 -0.058 0.000 1.035 100 T CA 2.383 64.416 62.100 -0.112 0.000 1.154 100 T CB -0.344 68.487 68.868 -0.060 0.000 0.862 100 T HN 0.429 nan 8.240 nan 0.000 0.441 101 S N 0.879 116.541 115.700 -0.063 0.000 2.423 101 S HA -0.046 4.426 4.470 0.003 0.000 0.231 101 S C 2.456 177.069 174.600 0.022 0.000 1.014 101 S CA 0.811 59.019 58.200 0.013 0.000 0.965 101 S CB -0.246 63.000 63.200 0.077 0.000 0.785 101 S HN 0.432 nan 8.310 nan 0.000 0.495 102 S N 2.013 117.710 115.700 -0.004 0.000 2.357 102 S HA -0.074 4.398 4.470 0.003 0.000 0.221 102 S C 1.829 176.528 174.600 0.165 0.000 1.031 102 S CA 0.949 59.218 58.200 0.115 0.000 0.982 102 S CB -0.506 62.812 63.200 0.196 0.000 0.853 102 S HN 0.518 nan 8.310 nan 0.000 0.458 103 N N 1.599 120.374 118.700 0.124 0.000 2.036 103 N HA -0.094 4.647 4.740 0.003 0.000 0.195 103 N C 1.620 177.191 175.510 0.101 0.000 1.037 103 N CA 1.556 54.681 53.050 0.126 0.000 0.855 103 N CB -0.287 38.254 38.487 0.090 0.000 1.033 103 N HN 0.151 nan 8.380 nan 0.000 0.423 104 M N 0.300 119.940 119.600 0.065 0.000 2.229 104 M HA -0.044 4.438 4.480 0.003 0.000 0.264 104 M C 1.881 178.206 176.300 0.042 0.000 1.063 104 M CA 0.950 56.275 55.300 0.042 0.000 1.114 104 M CB -1.581 31.035 32.600 0.028 0.000 1.387 104 M HN 0.368 nan 8.290 nan 0.000 0.420 105 N N 0.187 118.921 118.700 0.058 0.000 2.120 105 N HA -0.099 4.642 4.740 0.003 0.000 0.188 105 N C 1.684 177.192 175.510 -0.004 0.000 1.024 105 N CA 1.192 54.240 53.050 -0.004 0.000 0.852 105 N CB 0.176 38.674 38.487 0.018 0.000 1.003 105 N HN 0.295 nan 8.380 nan 0.000 0.424 106 A N 1.128 124.082 122.820 0.223 0.000 1.873 106 A HA -0.149 4.173 4.320 0.003 0.000 0.215 106 A C 1.981 179.656 177.584 0.152 0.000 1.186 106 A CA 1.266 53.496 52.037 0.320 0.000 0.616 106 A CB -0.661 18.536 19.000 0.329 0.000 0.823 106 A HN 0.364 nan 8.150 nan 0.000 0.442 107 N N 0.111 118.868 118.700 0.095 0.000 2.061 107 N HA -0.181 4.561 4.740 0.003 0.000 0.193 107 N C 1.697 177.208 175.510 0.001 0.000 1.030 107 N CA 1.870 54.945 53.050 0.042 0.000 0.856 107 N CB -0.444 38.052 38.487 0.014 0.000 1.023 107 N HN 0.693 nan 8.380 nan 0.000 0.424 108 E N 0.167 120.359 120.200 -0.014 0.000 2.046 108 E HA -0.055 4.297 4.350 0.003 0.000 0.190 108 E C 2.106 178.743 176.600 0.060 0.000 0.982 108 E CA 0.693 57.082 56.400 -0.017 0.000 0.800 108 E CB -0.001 29.709 29.700 0.016 0.000 0.756 108 E HN 0.028 nan 8.360 nan 0.000 0.449 109 V N 1.673 121.608 119.914 0.035 0.000 2.287 109 V HA -0.285 3.837 4.120 0.003 0.000 0.248 109 V C 2.270 178.434 176.094 0.117 0.000 1.053 109 V CA 1.681 64.012 62.300 0.050 0.000 1.027 109 V CB -0.430 31.274 31.823 -0.198 0.000 0.646 109 V HN 0.268 nan 8.190 nan 0.000 0.447 110 I N 0.213 120.852 120.570 0.115 0.000 2.226 110 I HA -0.230 3.942 4.170 0.003 0.000 0.245 110 I C 2.680 178.869 176.117 0.121 0.000 1.100 110 I CA 1.393 62.765 61.300 0.120 0.000 1.374 110 I CB -0.654 37.412 38.000 0.110 0.000 1.057 110 I HN 0.290 nan 8.210 nan 0.000 0.413 111 A N 1.240 124.122 122.820 0.104 0.000 1.865 111 A HA -0.245 4.077 4.320 0.003 0.000 0.217 111 A C 2.109 179.802 177.584 0.182 0.000 1.191 111 A CA 2.137 54.246 52.037 0.120 0.000 0.623 111 A CB -0.794 18.236 19.000 0.050 0.000 0.826 111 A HN 0.433 nan 8.150 nan 0.000 0.444 112 N N -0.864 117.964 118.700 0.213 0.000 2.244 112 N HA -0.147 4.595 4.740 0.003 0.000 0.183 112 N C 1.887 177.565 175.510 0.280 0.000 1.016 112 N CA 1.500 54.682 53.050 0.220 0.000 0.866 112 N CB -0.329 38.266 38.487 0.180 0.000 0.980 112 N HN 0.474 nan 8.380 nan 0.000 0.430 113 R N 1.418 122.112 120.500 0.324 0.000 2.090 113 R HA 0.130 4.472 4.340 0.003 0.000 0.228 113 R C 1.981 178.441 176.300 0.267 0.000 1.110 113 R CA 1.325 57.593 56.100 0.280 0.000 0.973 113 R CB -0.755 29.618 30.300 0.121 0.000 0.869 113 R HN 0.126 nan 8.270 nan 0.000 0.440 114 A N 0.867 123.821 122.820 0.223 0.000 1.865 114 A HA -0.144 4.177 4.320 0.003 0.000 0.217 114 A C 2.246 179.935 177.584 0.176 0.000 1.191 114 A CA 1.693 53.846 52.037 0.193 0.000 0.623 114 A CB -0.847 18.222 19.000 0.115 0.000 0.826 114 A HN 0.354 nan 8.150 nan 0.000 0.444 115 L N -0.857 120.452 121.223 0.143 0.000 1.997 115 L HA -0.301 4.040 4.340 0.003 0.000 0.216 115 L C 2.735 179.652 176.870 0.078 0.000 1.074 115 L CA 2.169 57.069 54.840 0.099 0.000 0.763 115 L CB -0.618 41.485 42.059 0.074 0.000 0.890 115 L HN 0.580 nan 8.230 nan 0.000 0.434 116 E N -0.757 119.489 120.200 0.077 0.000 2.070 116 E HA -0.281 4.071 4.350 0.003 0.000 0.197 116 E C 2.174 178.775 176.600 0.002 0.000 1.004 116 E CA 1.418 57.833 56.400 0.025 0.000 0.805 116 E CB -0.035 29.693 29.700 0.048 0.000 0.744 116 E HN 0.535 nan 8.360 nan 0.000 0.451 117 H N -0.397 118.701 119.070 0.048 0.000 2.457 117 H HA -0.089 4.469 4.556 0.003 0.000 0.297 117 H C 1.769 177.107 175.328 0.018 0.000 1.092 117 H CA 0.941 57.004 56.048 0.026 0.000 1.309 117 H CB 0.105 29.874 29.762 0.012 0.000 1.382 117 H HN 0.226 nan 8.280 nan 0.000 0.535 118 L N -0.055 121.249 121.223 0.134 0.000 2.629 118 L HA 0.128 4.469 4.340 0.003 0.000 0.230 118 L C 1.200 178.099 176.870 0.048 0.000 1.151 118 L CA 0.182 55.070 54.840 0.080 0.000 0.924 118 L CB 0.106 42.208 42.059 0.072 0.000 1.137 118 L HN 0.247 nan 8.230 nan 0.000 0.457 119 G N 1.021 109.842 108.800 0.035 0.000 2.341 119 G HA2 -0.273 3.689 3.960 0.003 0.000 0.292 119 G HA3 -0.273 3.689 3.960 0.003 0.000 0.292 119 G C 0.276 175.177 174.900 0.002 0.000 1.021 119 G CA 0.214 45.320 45.100 0.010 0.000 0.905 119 G HN 0.279 nan 8.290 nan 0.000 0.508 120 R N -0.288 120.214 120.500 0.004 0.000 2.787 120 R HA 0.574 4.916 4.340 0.003 0.000 0.271 120 R C -2.238 174.039 176.300 -0.037 0.000 0.993 120 R CA -1.969 54.124 56.100 -0.011 0.000 0.993 120 R CB 1.220 31.522 30.300 0.004 0.000 1.155 120 R HN 0.174 nan 8.270 nan 0.000 0.486 121 P HA 0.215 nan 4.420 nan 0.000 0.276 121 P C -0.466 176.755 177.300 -0.133 0.000 1.244 121 P CA -0.518 62.522 63.100 -0.099 0.000 0.801 121 P CB 0.684 32.321 31.700 -0.104 0.000 1.006 122 R N 0.395 120.792 120.500 -0.172 0.000 2.679 122 R HA 0.255 4.597 4.340 0.003 0.000 0.268 122 R C 1.373 177.495 176.300 -0.297 0.000 1.044 122 R CA 0.882 56.857 56.100 -0.208 0.000 1.105 122 R CB -0.964 29.183 30.300 -0.255 0.000 0.989 122 R HN 0.941 nan 8.270 nan 0.000 0.447 123 G N 1.424 109.931 108.800 -0.489 0.000 2.199 123 G HA2 -0.282 3.680 3.960 0.003 0.000 0.254 123 G HA3 -0.282 3.680 3.960 0.003 0.000 0.254 123 G C 0.114 174.439 174.900 -0.958 0.000 0.982 123 G CA 0.364 44.868 45.100 -0.993 0.000 0.632 123 G HN 0.648 nan 8.290 nan 0.000 0.529 124 D N 0.471 120.580 120.400 -0.484 0.000 2.671 124 D HA 0.324 4.966 4.640 0.003 0.000 0.228 124 D C 1.264 177.522 176.300 -0.069 0.000 1.102 124 D CA -0.606 53.257 54.000 -0.229 0.000 1.044 124 D CB -0.492 40.249 40.800 -0.098 0.000 1.113 124 D HN 0.366 nan 8.370 nan 0.000 0.480 125 Y N 0.471 120.779 120.300 0.013 0.000 2.571 125 Y HA -0.023 4.529 4.550 0.003 0.000 0.294 125 Y C 2.664 178.663 175.900 0.166 0.000 1.141 125 Y CA 0.925 59.048 58.100 0.037 0.000 1.308 125 Y CB -1.244 37.164 38.460 -0.087 0.000 1.002 125 Y HN 0.461 nan 8.280 nan 0.000 0.551 126 Q N 0.083 120.027 119.800 0.240 0.000 2.224 126 Q HA -0.117 4.224 4.340 0.003 0.000 0.203 126 Q C 2.135 178.220 176.000 0.141 0.000 0.970 126 Q CA 2.042 57.949 55.803 0.173 0.000 0.865 126 Q CB -1.369 27.429 28.738 0.100 0.000 0.922 126 Q HN 0.512 nan 8.270 nan 0.000 0.445 127 T N 0.077 114.708 114.554 0.129 0.000 2.814 127 T HA 0.205 4.557 4.350 0.003 0.000 0.254 127 T C 0.690 175.474 174.700 0.140 0.000 1.037 127 T CA 0.765 62.931 62.100 0.111 0.000 1.143 127 T CB 0.182 69.098 68.868 0.079 0.000 0.866 127 T HN 0.488 nan 8.240 nan 0.000 0.431 128 I N 1.610 122.288 120.570 0.180 0.000 2.439 128 I HA 0.283 4.455 4.170 0.003 0.000 0.283 128 I C -0.794 175.463 176.117 0.234 0.000 1.023 128 I CA -0.673 60.739 61.300 0.187 0.000 1.100 128 I CB 1.306 39.399 38.000 0.155 0.000 1.238 128 I HN 0.308 nan 8.210 nan 0.000 0.445 129 H N 8.030 127.157 119.070 0.095 0.000 2.517 129 H HA 0.296 4.854 4.556 0.003 0.000 0.317 129 H C -1.931 173.349 175.328 -0.080 0.000 1.080 129 H CA -1.505 54.553 56.048 0.017 0.000 1.301 129 H CB 2.514 32.294 29.762 0.030 0.000 1.425 129 H HN 0.238 nan 8.280 nan 0.000 0.471 130 P HA -0.134 nan 4.420 nan 0.000 0.216 130 P C 1.015 178.284 177.300 -0.052 0.000 1.150 130 P CA 1.144 64.074 63.100 -0.284 0.000 0.837 130 P CB 0.628 32.029 31.700 -0.497 0.000 0.786 131 N N -1.170 117.591 118.700 0.103 0.000 2.278 131 N HA -0.055 4.687 4.740 0.003 0.000 0.181 131 N C 1.182 176.796 175.510 0.173 0.000 1.023 131 N CA 1.057 54.206 53.050 0.165 0.000 0.862 131 N CB -0.475 38.117 38.487 0.175 0.000 1.003 131 N HN 0.073 nan 8.380 nan 0.000 0.431 132 D N 0.830 121.387 120.400 0.261 0.000 2.194 132 D HA -0.050 4.592 4.640 0.003 0.000 0.204 132 D C 0.889 177.236 176.300 0.078 0.000 0.964 132 D CA 0.990 55.018 54.000 0.046 0.000 0.846 132 D CB 0.045 40.749 40.800 -0.159 0.000 0.962 132 D HN 0.257 nan 8.370 nan 0.000 0.490 133 D N -0.257 120.225 120.400 0.136 0.000 2.735 133 D HA 0.012 4.653 4.640 0.003 0.000 0.267 133 D C 2.337 178.701 176.300 0.105 0.000 1.081 133 D CA 0.300 54.370 54.000 0.117 0.000 0.980 133 D CB -0.160 40.721 40.800 0.135 0.000 1.129 133 D HN -0.015 nan 8.370 nan 0.000 0.459 134 V N 1.326 121.296 119.914 0.093 0.000 2.427 134 V HA -0.131 3.991 4.120 0.003 0.000 0.248 134 V C 1.607 177.752 176.094 0.084 0.000 1.051 134 V CA 1.322 63.672 62.300 0.083 0.000 1.048 134 V CB -0.554 31.306 31.823 0.061 0.000 0.666 134 V HN 0.072 nan 8.190 nan 0.000 0.456 135 N N -0.393 118.352 118.700 0.074 0.000 2.313 135 N HA 0.134 4.875 4.740 0.003 0.000 0.207 135 N C 0.504 176.047 175.510 0.056 0.000 1.141 135 N CA -0.059 53.032 53.050 0.068 0.000 0.830 135 N CB -0.201 38.319 38.487 0.057 0.000 1.008 135 N HN 0.453 nan 8.380 nan 0.000 0.481 136 M N 0.390 120.025 119.600 0.059 0.000 2.260 136 M HA -0.068 4.413 4.480 0.003 0.000 0.348 136 M C 0.184 176.467 176.300 -0.028 0.000 1.342 136 M CA 0.772 56.084 55.300 0.020 0.000 1.040 136 M CB 0.196 32.819 32.600 0.039 0.000 1.810 136 M HN 0.284 nan 8.290 nan 0.000 0.453 137 S N 1.172 116.801 115.700 -0.118 0.000 3.261 137 S HA -0.219 4.253 4.470 0.003 0.000 0.287 137 S C -0.474 174.055 174.600 -0.119 0.000 1.281 137 S CA 1.364 59.400 58.200 -0.274 0.000 1.053 137 S CB -1.603 61.112 63.200 -0.808 0.000 1.251 137 S HN 0.902 nan 8.310 nan 0.000 0.659 138 Q N 0.227 120.023 119.800 -0.008 0.000 2.399 138 Q HA 0.762 5.104 4.340 0.003 0.000 0.276 138 Q C -0.295 175.731 176.000 0.042 0.000 1.098 138 Q CA -0.380 55.456 55.803 0.054 0.000 0.827 138 Q CB 2.276 31.069 28.738 0.092 0.000 1.386 138 Q HN 0.395 nan 8.270 nan 0.000 0.443 139 S N -1.226 114.508 115.700 0.056 0.000 2.661 139 S HA 0.373 4.845 4.470 0.003 0.000 0.285 139 S C 0.431 175.072 174.600 0.067 0.000 1.138 139 S CA -0.573 57.657 58.200 0.050 0.000 0.855 139 S CB 1.419 64.641 63.200 0.037 0.000 1.136 139 S HN 0.535 nan 8.310 nan 0.000 0.484 140 T N 2.264 116.853 114.554 0.058 0.000 2.685 140 T HA -0.128 4.223 4.350 0.003 0.000 0.268 140 T C 1.322 176.083 174.700 0.101 0.000 1.034 140 T CA 2.053 64.196 62.100 0.071 0.000 1.149 140 T CB -0.703 68.174 68.868 0.015 0.000 0.860 140 T HN 0.656 nan 8.240 nan 0.000 0.449 141 N N 1.335 120.080 118.700 0.074 0.000 2.512 141 N HA -0.058 4.684 4.740 0.003 0.000 0.183 141 N C 1.471 177.038 175.510 0.094 0.000 1.073 141 N CA 1.026 54.126 53.050 0.083 0.000 0.911 141 N CB -0.134 38.388 38.487 0.058 0.000 0.964 141 N HN 0.698 nan 8.380 nan 0.000 0.447 142 D N -0.910 119.545 120.400 0.091 0.000 2.431 142 D HA 0.029 4.671 4.640 0.003 0.000 0.227 142 D C 1.708 178.064 176.300 0.094 0.000 1.030 142 D CA 0.092 54.145 54.000 0.087 0.000 0.897 142 D CB -0.387 40.461 40.800 0.081 0.000 1.058 142 D HN -0.090 nan 8.370 nan 0.000 0.500 143 V N 0.557 120.536 119.914 0.109 0.000 2.295 143 V HA -0.238 3.884 4.120 0.003 0.000 0.246 143 V C 2.354 178.513 176.094 0.110 0.000 1.049 143 V CA 1.573 63.937 62.300 0.106 0.000 1.024 143 V CB -0.810 31.084 31.823 0.118 0.000 0.648 143 V HN 0.143 nan 8.190 nan 0.000 0.447 144 Y N 2.001 122.315 120.300 0.024 0.000 2.153 144 Y HA -0.037 4.514 4.550 0.003 0.000 0.289 144 Y C -0.031 175.876 175.900 0.013 0.000 1.127 144 Y CA 1.503 59.608 58.100 0.009 0.000 1.131 144 Y CB -1.328 37.132 38.460 0.001 0.000 0.995 144 Y HN 0.301 nan 8.280 nan 0.000 0.505 145 P HA -0.099 nan 4.420 nan 0.000 0.220 145 P C 1.381 178.674 177.300 -0.013 0.000 1.148 145 P CA 1.920 65.046 63.100 0.044 0.000 0.803 145 P CB -0.096 31.690 31.700 0.144 0.000 0.782 146 T N 0.179 114.724 114.554 -0.014 0.000 2.770 146 T HA -0.033 4.319 4.350 0.003 0.000 0.263 146 T C 2.050 176.697 174.700 -0.088 0.000 1.039 146 T CA 1.637 63.721 62.100 -0.028 0.000 1.142 146 T CB -0.834 68.033 68.868 -0.001 0.000 0.868 146 T HN 0.052 nan 8.240 nan 0.000 0.435 147 A N 0.905 123.649 122.820 -0.128 0.000 1.978 147 A HA -0.059 4.263 4.320 0.003 0.000 0.220 147 A C 2.553 179.970 177.584 -0.279 0.000 1.170 147 A CA 1.266 53.193 52.037 -0.183 0.000 0.636 147 A CB -1.018 17.878 19.000 -0.173 0.000 0.810 147 A HN 0.352 nan 8.150 nan 0.000 0.448 148 V N -0.325 119.360 119.914 -0.382 0.000 2.307 148 V HA -0.260 3.862 4.120 0.003 0.000 0.245 148 V C 2.649 178.562 176.094 -0.301 0.000 1.045 148 V CA 2.318 64.373 62.300 -0.409 0.000 1.024 148 V CB -0.717 30.815 31.823 -0.486 0.000 0.651 148 V HN 0.550 nan 8.190 nan 0.000 0.449 149 R N -0.730 119.665 120.500 -0.175 0.000 2.096 149 R HA -0.159 4.183 4.340 0.003 0.000 0.235 149 R C 2.160 178.321 176.300 -0.233 0.000 1.127 149 R CA 1.442 57.421 56.100 -0.203 0.000 0.968 149 R CB -0.497 29.791 30.300 -0.020 0.000 0.861 149 R HN 0.357 nan 8.270 nan 0.000 0.440 150 L N 0.432 121.556 121.223 -0.165 0.000 2.056 150 L HA -0.033 4.308 4.340 0.003 0.000 0.207 150 L C 2.157 178.928 176.870 -0.166 0.000 1.078 150 L CA 1.886 56.646 54.840 -0.134 0.000 0.749 150 L CB -0.719 41.280 42.059 -0.101 0.000 0.901 150 L HN 0.141 nan 8.230 nan 0.000 0.433 151 A N -0.484 122.212 122.820 -0.207 0.000 1.908 151 A HA -0.188 4.133 4.320 0.003 0.000 0.218 151 A C 2.255 179.702 177.584 -0.228 0.000 1.181 151 A CA 2.052 53.967 52.037 -0.203 0.000 0.627 151 A CB -0.874 17.992 19.000 -0.224 0.000 0.818 151 A HN 0.499 nan 8.150 nan 0.000 0.445 152 L N -0.910 120.104 121.223 -0.349 0.000 2.017 152 L HA -0.177 4.165 4.340 0.003 0.000 0.208 152 L C 2.608 179.306 176.870 -0.287 0.000 1.073 152 L CA 1.116 55.688 54.840 -0.446 0.000 0.745 152 L CB -0.671 40.814 42.059 -0.956 0.000 0.894 152 L HN 0.361 nan 8.230 nan 0.000 0.432 153 L N -0.328 120.770 121.223 -0.209 0.000 2.042 153 L HA -0.245 4.097 4.340 0.003 0.000 0.210 153 L C 2.471 179.312 176.870 -0.049 0.000 1.076 153 L CA 1.294 56.100 54.840 -0.057 0.000 0.749 153 L CB -0.426 41.623 42.059 -0.016 0.000 0.893 153 L HN 0.254 nan 8.230 nan 0.000 0.432 154 L N -1.273 119.905 121.223 -0.075 0.000 2.362 154 L HA -0.120 4.222 4.340 0.003 0.000 0.219 154 L C 2.107 178.949 176.870 -0.046 0.000 1.134 154 L CA 0.605 55.411 54.840 -0.057 0.000 0.807 154 L CB -0.283 41.733 42.059 -0.073 0.000 0.927 154 L HN 0.156 nan 8.230 nan 0.000 0.447 155 S N -1.500 114.167 115.700 -0.055 0.000 2.535 155 S HA 0.008 4.480 4.470 0.003 0.000 0.214 155 S C 1.736 176.351 174.600 0.025 0.000 0.980 155 S CA -0.141 58.042 58.200 -0.028 0.000 0.907 155 S CB 0.191 63.362 63.200 -0.049 0.000 0.790 155 S HN 0.327 nan 8.310 nan 0.000 0.510 156 Q N 2.306 122.129 119.800 0.039 0.000 2.050 156 Q HA -0.108 4.234 4.340 0.003 0.000 0.202 156 Q C 1.929 177.986 176.000 0.095 0.000 0.980 156 Q CA 1.474 57.342 55.803 0.107 0.000 0.840 156 Q CB -0.790 28.012 28.738 0.106 0.000 0.898 156 Q HN 0.665 nan 8.270 nan 0.000 0.424 157 N N 0.258 118.994 118.700 0.060 0.000 2.223 157 N HA -0.215 4.527 4.740 0.003 0.000 0.185 157 N C 1.960 177.503 175.510 0.054 0.000 1.016 157 N CA 2.126 55.209 53.050 0.055 0.000 0.863 157 N CB -0.085 38.420 38.487 0.031 0.000 0.983 157 N HN 0.312 nan 8.380 nan 0.000 0.429 158 Q N 0.071 119.896 119.800 0.041 0.000 2.079 158 Q HA 0.011 4.353 4.340 0.003 0.000 0.200 158 Q C 2.430 178.457 176.000 0.044 0.000 0.974 158 Q CA 1.811 57.633 55.803 0.032 0.000 0.840 158 Q CB -1.100 27.646 28.738 0.015 0.000 0.898 158 Q HN 0.342 nan 8.270 nan 0.000 0.430 159 V N 0.831 120.782 119.914 0.062 0.000 2.358 159 V HA -0.293 3.828 4.120 0.003 0.000 0.246 159 V C 2.670 178.800 176.094 0.060 0.000 1.047 159 V CA 1.783 64.119 62.300 0.060 0.000 1.035 159 V CB -0.592 31.285 31.823 0.090 0.000 0.658 159 V HN 0.618 nan 8.190 nan 0.000 0.452 160 Q N 0.185 120.039 119.800 0.090 0.000 2.061 160 Q HA -0.189 4.153 4.340 0.003 0.000 0.204 160 Q C 2.436 178.547 176.000 0.185 0.000 0.984 160 Q CA 2.365 58.244 55.803 0.126 0.000 0.846 160 Q CB -0.887 27.949 28.738 0.164 0.000 0.902 160 Q HN 0.658 nan 8.270 nan 0.000 0.421 161 T N 1.493 116.131 114.554 0.140 0.000 2.665 161 T HA -0.180 4.172 4.350 0.003 0.000 0.268 161 T C 1.863 176.621 174.700 0.096 0.000 1.035 161 T CA 1.728 63.900 62.100 0.119 0.000 1.151 161 T CB -0.338 68.565 68.868 0.059 0.000 0.862 161 T HN 0.446 nan 8.240 nan 0.000 0.438 162 A N 0.987 123.839 122.820 0.054 0.000 1.902 162 A HA -0.005 4.317 4.320 0.003 0.000 0.217 162 A C 2.240 179.831 177.584 0.012 0.000 1.181 162 A CA 1.213 53.263 52.037 0.023 0.000 0.623 162 A CB -0.764 18.240 19.000 0.007 0.000 0.818 162 A HN 0.383 nan 8.150 nan 0.000 0.443 163 L N -0.643 120.579 121.223 -0.002 0.000 2.027 163 L HA -0.120 4.221 4.340 0.003 0.000 0.206 163 L C 2.234 179.056 176.870 -0.080 0.000 1.074 163 L CA 2.410 57.215 54.840 -0.058 0.000 0.745 163 L CB -1.037 40.954 42.059 -0.113 0.000 0.898 163 L HN 0.562 nan 8.230 nan 0.000 0.433 164 H N -1.458 117.626 119.070 0.023 0.000 2.352 164 H HA -0.176 4.382 4.556 0.003 0.000 0.299 164 H C 2.306 177.642 175.328 0.012 0.000 1.097 164 H CA 1.817 57.879 56.048 0.023 0.000 1.311 164 H CB 0.047 29.820 29.762 0.017 0.000 1.377 164 H HN 0.154 nan 8.280 nan 0.000 0.504 165 R N 0.723 121.290 120.500 0.110 0.000 2.083 165 R HA -0.124 4.218 4.340 0.003 0.000 0.237 165 R C 2.091 178.381 176.300 -0.016 0.000 1.137 165 R CA 1.194 57.316 56.100 0.037 0.000 0.951 165 R CB -0.763 29.544 30.300 0.011 0.000 0.851 165 R HN 0.325 nan 8.270 nan 0.000 0.434 166 L N 0.143 121.344 121.223 -0.037 0.000 2.056 166 L HA 0.030 4.371 4.340 0.003 0.000 0.207 166 L C 2.019 178.858 176.870 -0.052 0.000 1.078 166 L CA 1.606 56.371 54.840 -0.125 0.000 0.749 166 L CB -0.419 41.585 42.059 -0.093 0.000 0.901 166 L HN 0.304 nan 8.230 nan 0.000 0.433 167 I N -0.284 120.334 120.570 0.080 0.000 2.163 167 I HA -0.349 3.823 4.170 0.003 0.000 0.243 167 I C 2.610 178.821 176.117 0.157 0.000 1.085 167 I CA 1.384 62.789 61.300 0.175 0.000 1.347 167 I CB -0.708 37.354 38.000 0.103 0.000 1.044 167 I HN 0.366 nan 8.210 nan 0.000 0.408 168 A N 0.684 123.560 122.820 0.093 0.000 1.883 168 A HA -0.209 4.113 4.320 0.003 0.000 0.217 168 A C 2.557 180.167 177.584 0.044 0.000 1.186 168 A CA 2.030 54.108 52.037 0.069 0.000 0.624 168 A CB -0.976 18.052 19.000 0.047 0.000 0.822 168 A HN 0.450 nan 8.150 nan 0.000 0.444 169 A N -1.031 121.777 122.820 -0.020 0.000 1.883 169 A HA -0.059 4.263 4.320 0.003 0.000 0.217 169 A C 1.948 179.547 177.584 0.024 0.000 1.186 169 A CA 1.781 53.772 52.037 -0.077 0.000 0.624 169 A CB -0.791 18.076 19.000 -0.222 0.000 0.822 169 A HN 0.451 nan 8.150 nan 0.000 0.444 170 F N 0.236 120.274 119.950 0.147 0.000 2.146 170 F HA -0.085 4.444 4.527 0.003 0.000 0.298 170 F C 2.426 178.331 175.800 0.176 0.000 1.096 170 F CA 1.398 59.551 58.000 0.255 0.000 1.275 170 F CB -0.772 38.387 39.000 0.265 0.000 1.008 170 F HN 0.347 nan 8.300 nan 0.000 0.480 171 E N -0.063 120.308 120.200 0.284 0.000 2.085 171 E HA -0.216 4.135 4.350 0.003 0.000 0.194 171 E C 2.412 179.055 176.600 0.072 0.000 0.994 171 E CA 1.182 57.675 56.400 0.156 0.000 0.801 171 E CB -0.381 29.384 29.700 0.107 0.000 0.743 171 E HN 0.346 nan 8.360 nan 0.000 0.453 172 A N 1.450 124.289 122.820 0.031 0.000 1.933 172 A HA -0.171 4.151 4.320 0.003 0.000 0.218 172 A C 1.956 179.436 177.584 -0.173 0.000 1.175 172 A CA 1.155 53.158 52.037 -0.057 0.000 0.628 172 A CB -0.142 18.821 19.000 -0.062 0.000 0.814 172 A HN -0.033 nan 8.150 nan 0.000 0.444 173 K N -0.451 119.834 120.400 -0.191 0.000 2.217 173 K HA -0.047 4.274 4.320 0.003 0.000 0.202 173 K C 2.023 178.334 176.600 -0.482 0.000 1.051 173 K CA 1.021 56.958 56.287 -0.583 0.000 0.952 173 K CB -0.738 31.424 32.500 -0.564 0.000 0.736 173 K HN 0.472 nan 8.250 nan 0.000 0.453 174 G N 1.226 109.991 108.800 -0.058 0.000 2.422 174 G HA2 -0.235 3.726 3.960 0.003 0.000 0.218 174 G HA3 -0.235 3.726 3.960 0.003 0.000 0.218 174 G C 1.701 176.587 174.900 -0.024 0.000 1.140 174 G CA 0.295 45.426 45.100 0.052 0.000 0.775 174 G HN 0.260 nan 8.290 nan 0.000 0.545 175 R N -0.126 120.325 120.500 -0.082 0.000 2.062 175 R HA 0.076 4.418 4.340 0.003 0.000 0.226 175 R C 2.416 178.643 176.300 -0.121 0.000 1.125 175 R CA 0.965 57.021 56.100 -0.072 0.000 0.966 175 R CB -0.380 29.884 30.300 -0.060 0.000 0.861 175 R HN 0.428 nan 8.270 nan 0.000 0.433 176 E N 0.190 120.226 120.200 -0.273 0.000 2.130 176 E HA -0.193 4.159 4.350 0.003 0.000 0.196 176 E C 0.466 176.982 176.600 -0.139 0.000 0.998 176 E CA 1.200 57.402 56.400 -0.330 0.000 0.806 176 E CB 0.097 29.406 29.700 -0.652 0.000 0.738 176 E HN 0.184 nan 8.360 nan 0.000 0.459 177 F N -0.539 119.364 119.950 -0.079 0.000 2.645 177 F HA 0.370 4.898 4.527 0.003 0.000 0.300 177 F C 1.607 177.388 175.800 -0.032 0.000 1.115 177 F CA -0.033 57.923 58.000 -0.073 0.000 1.355 177 F CB -0.398 38.525 39.000 -0.129 0.000 1.026 177 F HN 0.026 nan 8.300 nan 0.000 0.536 178 A N 0.160 123.053 122.820 0.121 0.000 1.972 178 A HA -0.185 4.137 4.320 0.003 0.000 0.219 178 A C 2.230 179.853 177.584 0.064 0.000 1.169 178 A CA 2.267 54.349 52.037 0.075 0.000 0.635 178 A CB -1.040 17.982 19.000 0.036 0.000 0.810 178 A HN 0.363 nan 8.150 nan 0.000 0.446 179 T N -3.272 111.322 114.554 0.067 0.000 3.107 179 T HA 0.280 4.631 4.350 0.003 0.000 0.249 179 T C 0.239 174.963 174.700 0.040 0.000 1.096 179 T CA 0.236 62.363 62.100 0.045 0.000 1.012 179 T CB -0.274 68.616 68.868 0.036 0.000 0.977 179 T HN -0.013 nan 8.240 nan 0.000 0.527 180 V N 4.688 124.635 119.914 0.054 0.000 2.326 180 V HA 0.314 4.436 4.120 0.003 0.000 0.249 180 V C 0.695 176.792 176.094 0.004 0.000 1.114 180 V CA -1.154 61.155 62.300 0.015 0.000 1.028 180 V CB -1.080 30.728 31.823 -0.026 0.000 1.170 180 V HN 0.587 nan 8.190 nan 0.000 0.494 181 I N 3.409 123.979 120.570 -0.000 0.000 2.638 181 I HA 0.694 4.866 4.170 0.003 0.000 0.286 181 I C 0.071 176.182 176.117 -0.011 0.000 1.088 181 I CA -0.173 61.126 61.300 -0.002 0.000 1.397 181 I CB 0.656 38.656 38.000 -0.001 0.000 1.414 181 I HN 0.704 nan 8.210 nan 0.000 0.566 182 K N 4.155 124.550 120.400 -0.008 0.000 2.617 182 K HA 0.576 4.898 4.320 0.003 0.000 0.293 182 K C -1.600 174.996 176.600 -0.007 0.000 1.034 182 K CA -1.031 55.249 56.287 -0.011 0.000 0.884 182 K CB 1.228 33.720 32.500 -0.014 0.000 1.541 182 K HN 0.537 nan 8.250 nan 0.000 0.409 183 I N 1.895 122.461 120.570 -0.007 0.000 2.325 183 I HA 0.326 4.498 4.170 0.003 0.000 0.291 183 I C 0.333 176.446 176.117 -0.006 0.000 1.019 183 I CA 0.320 61.617 61.300 -0.006 0.000 1.302 183 I CB 0.949 38.946 38.000 -0.004 0.000 1.401 183 I HN 0.730 nan 8.210 nan 0.000 0.485 184 G N 7.179 115.973 108.800 -0.009 0.000 2.491 184 G HA2 0.292 4.254 3.960 0.003 0.000 0.238 184 G HA3 0.292 4.254 3.960 0.003 0.000 0.238 184 G C -0.346 174.549 174.900 -0.008 0.000 1.277 184 G CA -0.486 44.607 45.100 -0.012 0.000 0.851 184 G HN 0.666 nan 8.290 nan 0.000 0.573 185 R N 0.157 120.653 120.500 -0.007 0.000 2.532 185 R HA 0.483 4.825 4.340 0.003 0.000 0.297 185 R C -0.648 175.650 176.300 -0.004 0.000 0.984 185 R CA -0.637 55.461 56.100 -0.003 0.000 0.884 185 R CB 2.123 32.424 30.300 0.002 0.000 1.182 185 R HN 0.698 nan 8.270 nan 0.000 0.442 186 T N -0.396 114.156 114.554 -0.003 0.000 2.824 186 T HA 0.226 4.578 4.350 0.003 0.000 0.282 186 T C 0.209 174.908 174.700 -0.001 0.000 0.993 186 T CA -0.817 61.281 62.100 -0.004 0.000 0.967 186 T CB 1.670 70.534 68.868 -0.006 0.000 0.960 186 T HN 0.722 nan 8.240 nan 0.000 0.441 187 Q N 1.566 121.366 119.800 -0.000 0.000 2.480 187 Q HA -0.200 4.142 4.340 0.003 0.000 0.265 187 Q C 0.526 176.527 176.000 0.002 0.000 1.072 187 Q CA 0.702 56.505 55.803 0.001 0.000 1.018 187 Q CB -1.849 26.889 28.738 -0.000 0.000 1.433 187 Q HN 0.917 nan 8.270 nan 0.000 0.513 188 L N -2.963 118.262 121.223 0.003 0.000 4.696 188 L HA -0.298 4.044 4.340 0.003 0.000 0.425 188 L C 0.125 176.996 176.870 0.003 0.000 1.115 188 L CA 0.942 55.784 54.840 0.004 0.000 0.996 188 L CB -1.278 40.784 42.059 0.005 0.000 2.077 188 L HN 0.330 nan 8.230 nan 0.000 0.792 189 Q N 1.026 120.826 119.800 0.001 0.000 2.241 189 Q HA 0.304 4.646 4.340 0.003 0.000 0.254 189 Q C -0.060 175.939 176.000 -0.001 0.000 0.917 189 Q CA -0.399 55.404 55.803 0.000 0.000 0.919 189 Q CB 1.333 30.071 28.738 -0.000 0.000 1.237 189 Q HN 0.037 nan 8.270 nan 0.000 0.434 190 D N 1.336 121.736 120.400 -0.001 0.000 2.533 190 D HA 0.117 4.759 4.640 0.003 0.000 0.236 190 D C 0.107 176.406 176.300 -0.003 0.000 1.137 190 D CA 0.393 54.392 54.000 -0.002 0.000 0.867 190 D CB 0.964 41.763 40.800 -0.001 0.000 1.170 190 D HN 0.596 nan 8.370 nan 0.000 0.474 191 A N 2.592 125.409 122.820 -0.004 0.000 2.834 191 A HA 0.592 4.914 4.320 0.003 0.000 0.205 191 A C 0.046 177.627 177.584 -0.006 0.000 1.761 191 A CA 0.069 52.102 52.037 -0.005 0.000 1.709 191 A CB 0.043 19.039 19.000 -0.007 0.000 1.488 191 A HN 0.453 nan 8.150 nan 0.000 0.457 192 V N -2.820 117.090 119.914 -0.007 0.000 2.919 192 V HA 0.693 4.815 4.120 0.003 0.000 0.316 192 V C -3.172 172.918 176.094 -0.008 0.000 1.077 192 V CA -2.686 59.610 62.300 -0.007 0.000 0.977 192 V CB 1.138 32.957 31.823 -0.007 0.000 1.039 192 V HN 0.405 nan 8.190 nan 0.000 0.441 193 P HA 0.445 nan 4.420 nan 0.000 0.268 193 P C -0.379 176.916 177.300 -0.008 0.000 1.205 193 P CA 0.168 63.264 63.100 -0.006 0.000 0.771 193 P CB 0.432 32.129 31.700 -0.005 0.000 0.858 194 I N -1.579 118.987 120.570 -0.008 0.000 3.466 194 I HA 0.741 4.913 4.170 0.003 0.000 0.311 194 I C -0.536 175.580 176.117 -0.002 0.000 1.155 194 I CA -1.051 60.243 61.300 -0.010 0.000 0.959 194 I CB 2.250 40.238 38.000 -0.020 0.000 1.332 194 I HN 0.252 nan 8.210 nan 0.000 0.483 195 T N -0.523 114.033 114.554 0.004 0.000 2.945 195 T HA 0.408 4.760 4.350 0.003 0.000 0.286 195 T C 0.499 175.223 174.700 0.040 0.000 1.025 195 T CA -0.685 61.429 62.100 0.023 0.000 1.039 195 T CB 1.970 70.860 68.868 0.036 0.000 1.068 195 T HN 0.711 nan 8.240 nan 0.000 0.497 196 L N 2.138 123.398 121.223 0.062 0.000 2.141 196 L HA 0.235 4.577 4.340 0.003 0.000 0.209 196 L C 2.437 179.473 176.870 0.276 0.000 1.094 196 L CA 2.230 57.147 54.840 0.129 0.000 0.763 196 L CB -1.222 40.836 42.059 -0.003 0.000 0.908 196 L HN 0.997 nan 8.230 nan 0.000 0.437 197 G N -1.133 107.806 108.800 0.232 0.000 2.491 197 G HA2 -0.325 3.637 3.960 0.003 0.000 0.218 197 G HA3 -0.325 3.637 3.960 0.003 0.000 0.218 197 G C 1.440 176.418 174.900 0.129 0.000 1.180 197 G CA 0.889 46.113 45.100 0.207 0.000 0.774 197 G HN 0.520 nan 8.290 nan 0.000 0.562 198 Q N -0.225 119.608 119.800 0.055 0.000 2.096 198 Q HA -0.127 4.214 4.340 0.003 0.000 0.204 198 Q C 2.444 178.382 176.000 -0.103 0.000 0.982 198 Q CA 1.440 57.235 55.803 -0.014 0.000 0.850 198 Q CB -0.179 28.544 28.738 -0.025 0.000 0.901 198 Q HN 0.688 nan 8.270 nan 0.000 0.422 199 E N 0.009 120.137 120.200 -0.121 0.000 2.070 199 E HA -0.207 4.145 4.350 0.003 0.000 0.197 199 E C 1.511 177.640 176.600 -0.785 0.000 1.004 199 E CA 1.165 57.333 56.400 -0.387 0.000 0.805 199 E CB -0.027 29.530 29.700 -0.238 0.000 0.744 199 E HN 0.266 nan 8.360 nan 0.000 0.451 200 F N 0.530 120.223 119.950 -0.429 0.000 2.259 200 F HA -0.048 4.481 4.527 0.003 0.000 0.298 200 F C 2.363 178.044 175.800 -0.199 0.000 1.088 200 F CA 1.240 59.063 58.000 -0.295 0.000 1.358 200 F CB -0.102 39.000 39.000 0.170 0.000 1.040 200 F HN 0.078 nan 8.300 nan 0.000 0.505 201 E N 0.746 120.951 120.200 0.009 0.000 2.106 201 E HA -0.138 4.214 4.350 0.003 0.000 0.192 201 E C 2.112 178.660 176.600 -0.086 0.000 0.984 201 E CA 1.311 57.715 56.400 0.006 0.000 0.806 201 E CB -0.370 29.340 29.700 0.016 0.000 0.750 201 E HN 0.214 nan 8.360 nan 0.000 0.458 202 A N -0.207 122.483 122.820 -0.217 0.000 1.969 202 A HA -0.080 4.241 4.320 0.003 0.000 0.218 202 A C 1.863 179.332 177.584 -0.192 0.000 1.169 202 A CA 1.250 53.158 52.037 -0.215 0.000 0.635 202 A CB -0.808 18.032 19.000 -0.266 0.000 0.810 202 A HN 0.326 nan 8.150 nan 0.000 0.445 203 F N 0.350 120.077 119.950 -0.372 0.000 2.102 203 F HA -0.076 4.453 4.527 0.003 0.000 0.298 203 F C 2.809 178.351 175.800 -0.430 0.000 1.105 203 F CA 0.360 57.967 58.000 -0.655 0.000 1.239 203 F CB -1.274 36.820 39.000 -1.510 0.000 0.991 203 F HN 0.265 nan 8.300 nan 0.000 0.474 204 A N 0.307 123.106 122.820 -0.036 0.000 1.865 204 A HA -0.094 4.228 4.320 0.003 0.000 0.217 204 A C 2.509 180.134 177.584 0.068 0.000 1.191 204 A CA 2.265 54.388 52.037 0.143 0.000 0.623 204 A CB -1.419 17.697 19.000 0.193 0.000 0.826 204 A HN 0.307 nan 8.150 nan 0.000 0.444 205 A N -1.541 121.291 122.820 0.020 0.000 1.892 205 A HA -0.200 4.122 4.320 0.003 0.000 0.218 205 A C 2.411 179.995 177.584 0.001 0.000 1.188 205 A CA 2.682 54.724 52.037 0.007 0.000 0.631 205 A CB -1.408 17.584 19.000 -0.014 0.000 0.822 205 A HN 0.511 nan 8.150 nan 0.000 0.447 206 T N -0.834 113.715 114.554 -0.009 0.000 2.867 206 T HA -0.011 4.341 4.350 0.003 0.000 0.268 206 T C 1.731 176.427 174.700 -0.007 0.000 1.057 206 T CA 1.419 63.512 62.100 -0.011 0.000 1.136 206 T CB -0.402 68.457 68.868 -0.015 0.000 0.874 206 T HN 0.367 nan 8.240 nan 0.000 0.466 207 L N 0.012 121.241 121.223 0.009 0.000 2.109 207 L HA 0.085 4.427 4.340 0.003 0.000 0.207 207 L C 2.968 179.826 176.870 -0.019 0.000 1.086 207 L CA 0.983 55.828 54.840 0.008 0.000 0.760 207 L CB -0.402 41.693 42.059 0.060 0.000 0.910 207 L HN 0.127 nan 8.230 nan 0.000 0.437 208 R N 0.322 120.820 120.500 -0.005 0.000 2.117 208 R HA -0.224 4.117 4.340 0.003 0.000 0.243 208 R C 2.059 178.347 176.300 -0.020 0.000 1.143 208 R CA 1.607 57.697 56.100 -0.016 0.000 0.968 208 R CB -0.364 29.944 30.300 0.014 0.000 0.863 208 R HN 0.461 nan 8.270 nan 0.000 0.444 209 E N 0.151 120.342 120.200 -0.015 0.000 2.209 209 E HA -0.175 4.177 4.350 0.003 0.000 0.196 209 E C 1.177 177.762 176.600 -0.026 0.000 0.993 209 E CA 1.071 57.461 56.400 -0.017 0.000 0.819 209 E CB 0.044 29.735 29.700 -0.016 0.000 0.745 209 E HN 0.351 nan 8.360 nan 0.000 0.477 210 D N -0.474 119.903 120.400 -0.039 0.000 2.289 210 D HA -0.082 4.560 4.640 0.003 0.000 0.207 210 D C 2.140 178.410 176.300 -0.051 0.000 0.966 210 D CA 1.358 55.328 54.000 -0.050 0.000 0.868 210 D CB -0.127 40.637 40.800 -0.059 0.000 0.943 210 D HN 0.271 nan 8.370 nan 0.000 0.514 211 T N -0.458 114.057 114.554 -0.065 0.000 2.746 211 T HA -0.080 4.271 4.350 0.003 0.000 0.267 211 T C 2.160 176.864 174.700 0.006 0.000 1.039 211 T CA 1.420 63.484 62.100 -0.061 0.000 1.142 211 T CB -0.284 68.503 68.868 -0.135 0.000 0.866 211 T HN 0.057 nan 8.240 nan 0.000 0.444 212 A N 1.896 124.722 122.820 0.010 0.000 1.897 212 A HA 0.097 4.419 4.320 0.003 0.000 0.215 212 A C 2.493 180.084 177.584 0.012 0.000 1.181 212 A CA 1.628 53.678 52.037 0.021 0.000 0.620 212 A CB -0.737 18.273 19.000 0.017 0.000 0.821 212 A HN 0.557 nan 8.150 nan 0.000 0.443 213 R N -0.698 119.800 120.500 -0.003 0.000 2.096 213 R HA -0.090 4.252 4.340 0.003 0.000 0.235 213 R C 1.925 178.226 176.300 0.002 0.000 1.127 213 R CA 1.550 57.644 56.100 -0.010 0.000 0.968 213 R CB -0.506 29.778 30.300 -0.027 0.000 0.861 213 R HN 0.388 nan 8.270 nan 0.000 0.440 214 L N 1.287 122.513 121.223 0.006 0.000 2.012 214 L HA -0.136 4.206 4.340 0.003 0.000 0.210 214 L C 2.644 179.598 176.870 0.140 0.000 1.073 214 L CA 2.773 57.645 54.840 0.052 0.000 0.748 214 L CB -0.975 41.104 42.059 0.032 0.000 0.891 214 L HN 0.466 nan 8.230 nan 0.000 0.431 215 E N -0.420 119.836 120.200 0.094 0.000 2.077 215 E HA -0.284 4.068 4.350 0.003 0.000 0.193 215 E C 1.971 178.598 176.600 0.045 0.000 0.989 215 E CA 1.673 58.123 56.400 0.083 0.000 0.800 215 E CB -0.928 28.810 29.700 0.064 0.000 0.746 215 E HN 0.766 nan 8.360 nan 0.000 0.452 216 E N -0.125 120.089 120.200 0.023 0.000 2.077 216 E HA -0.094 4.258 4.350 0.003 0.000 0.193 216 E C 2.316 178.893 176.600 -0.038 0.000 0.989 216 E CA 1.290 57.684 56.400 -0.010 0.000 0.800 216 E CB -0.072 29.620 29.700 -0.013 0.000 0.746 216 E HN 0.388 nan 8.360 nan 0.000 0.452 217 V N 1.259 121.167 119.914 -0.010 0.000 2.379 217 V HA -0.212 3.910 4.120 0.003 0.000 0.245 217 V C 2.319 178.301 176.094 -0.186 0.000 1.044 217 V CA 1.646 63.918 62.300 -0.047 0.000 1.036 217 V CB -0.683 31.174 31.823 0.058 0.000 0.664 217 V HN 0.316 nan 8.190 nan 0.000 0.453 218 A N 0.259 123.076 122.820 -0.005 0.000 1.986 218 A HA -0.180 4.142 4.320 0.003 0.000 0.220 218 A C 2.364 179.829 177.584 -0.198 0.000 1.171 218 A CA 2.113 54.073 52.037 -0.128 0.000 0.640 218 A CB -0.711 18.382 19.000 0.154 0.000 0.811 218 A HN 0.597 nan 8.150 nan 0.000 0.451 219 A N -0.348 122.398 122.820 -0.123 0.000 2.067 219 A HA 0.049 4.371 4.320 0.003 0.000 0.219 219 A C 1.997 179.490 177.584 -0.152 0.000 1.158 219 A CA 1.197 53.179 52.037 -0.091 0.000 0.661 219 A CB -0.575 18.393 19.000 -0.052 0.000 0.801 219 A HN 0.506 nan 8.150 nan 0.000 0.452 220 L N -1.712 119.340 121.223 -0.284 0.000 2.187 220 L HA -0.181 4.160 4.340 0.003 0.000 0.213 220 L C 1.851 178.566 176.870 -0.258 0.000 1.100 220 L CA 0.909 55.565 54.840 -0.306 0.000 0.765 220 L CB -0.626 41.188 42.059 -0.409 0.000 0.904 220 L HN 0.364 nan 8.230 nan 0.000 0.437 221 F N -0.009 119.869 119.950 -0.121 0.000 2.604 221 F HA -0.059 4.469 4.527 0.003 0.000 0.298 221 F C 2.362 178.101 175.800 -0.101 0.000 1.131 221 F CA 0.504 58.424 58.000 -0.134 0.000 1.457 221 F CB -0.715 38.195 39.000 -0.149 0.000 1.095 221 F HN -0.048 nan 8.300 nan 0.000 0.574 222 R N 0.213 120.745 120.500 0.053 0.000 2.235 222 R HA -0.067 4.275 4.340 0.003 0.000 0.213 222 R C 0.668 176.965 176.300 -0.004 0.000 1.059 222 R CA 0.413 56.524 56.100 0.018 0.000 0.997 222 R CB -0.190 30.107 30.300 -0.005 0.000 0.884 222 R HN 0.259 nan 8.270 nan 0.000 0.462 223 E N 1.433 121.623 120.200 -0.017 0.000 2.130 223 E HA 0.165 4.516 4.350 0.003 0.000 0.284 223 E C -0.917 175.668 176.600 -0.024 0.000 1.018 223 E CA -0.471 55.910 56.400 -0.032 0.000 0.817 223 E CB 0.948 30.614 29.700 -0.057 0.000 1.078 223 E HN -0.042 nan 8.360 nan 0.000 0.396 224 V N 2.226 122.129 119.914 -0.019 0.000 3.046 224 V HA 0.454 4.575 4.120 0.003 0.000 0.316 224 V C 0.200 176.288 176.094 -0.009 0.000 1.104 224 V CA -0.916 61.378 62.300 -0.010 0.000 1.006 224 V CB 1.918 33.738 31.823 -0.005 0.000 1.058 224 V HN 0.746 nan 8.190 nan 0.000 0.440 225 N N 1.240 119.942 118.700 0.003 0.000 2.235 225 N HA 0.132 4.874 4.740 0.003 0.000 0.209 225 N C 0.099 175.628 175.510 0.032 0.000 1.122 225 N CA -0.372 52.685 53.050 0.012 0.000 0.845 225 N CB 0.063 38.558 38.487 0.013 0.000 1.004 225 N HN 0.723 nan 8.380 nan 0.000 0.499 226 L N 1.349 122.590 121.223 0.029 0.000 2.615 226 L HA 0.250 4.592 4.340 0.003 0.000 0.284 226 L C 1.362 178.274 176.870 0.070 0.000 1.237 226 L CA 1.724 56.592 54.840 0.048 0.000 0.905 226 L CB -0.368 41.706 42.059 0.024 0.000 1.149 226 L HN 0.595 nan 8.230 nan 0.000 0.499 227 G N 2.765 111.643 108.800 0.131 0.000 2.179 227 G HA2 -0.284 3.678 3.960 0.003 0.000 0.260 227 G HA3 -0.284 3.678 3.960 0.003 0.000 0.260 227 G C 0.912 175.894 174.900 0.138 0.000 0.977 227 G CA 0.632 45.857 45.100 0.208 0.000 0.641 227 G HN 1.324 nan 8.290 nan 0.000 0.533 228 G N -0.433 108.420 108.800 0.088 0.000 2.448 228 G HA2 0.028 3.990 3.960 0.003 0.000 0.219 228 G HA3 0.028 3.990 3.960 0.003 0.000 0.219 228 G C 1.615 176.549 174.900 0.057 0.000 1.127 228 G CA 2.104 47.241 45.100 0.062 0.000 0.766 228 G HN 1.030 nan 8.290 nan 0.000 0.552 229 T N 0.935 115.526 114.554 0.062 0.000 2.607 229 T HA 0.099 4.451 4.350 0.003 0.000 0.267 229 T C 1.680 176.392 174.700 0.020 0.000 1.049 229 T CA 1.636 63.760 62.100 0.040 0.000 1.162 229 T CB -0.518 68.374 68.868 0.040 0.000 0.863 229 T HN 0.403 nan 8.240 nan 0.000 0.424 240 A N 0.274 123.131 122.820 0.062 0.000 1.873 240 A HA 0.025 4.347 4.320 0.003 0.000 0.215 240 A C 2.066 179.682 177.584 0.054 0.000 1.186 240 A CA 2.127 54.192 52.037 0.047 0.000 0.616 240 A CB -1.024 18.003 19.000 0.046 0.000 0.823 240 A HN 0.934 nan 8.150 nan 0.000 0.442 241 Y N 0.797 121.098 120.300 0.001 0.000 2.128 241 Y HA -0.184 4.368 4.550 0.003 0.000 0.284 241 Y C 2.661 178.567 175.900 0.010 0.000 1.154 241 Y CA 1.557 59.661 58.100 0.006 0.000 1.149 241 Y CB -0.586 37.879 38.460 0.009 0.000 0.976 241 Y HN 0.319 nan 8.280 nan 0.000 0.505 242 A N 0.369 123.227 122.820 0.063 0.000 1.883 242 A HA -0.245 4.077 4.320 0.003 0.000 0.217 242 A C 2.195 179.720 177.584 -0.098 0.000 1.186 242 A CA 2.852 54.887 52.037 -0.004 0.000 0.624 242 A CB -1.613 17.429 19.000 0.071 0.000 0.822 242 A HN 0.613 nan 8.150 nan 0.000 0.444 243 E N -0.895 119.266 120.200 -0.064 0.000 2.077 243 E HA -0.262 4.089 4.350 0.003 0.000 0.193 243 E C 1.986 178.528 176.600 -0.096 0.000 0.989 243 E CA 1.884 58.248 56.400 -0.060 0.000 0.800 243 E CB -0.719 28.962 29.700 -0.033 0.000 0.746 243 E HN 0.706 nan 8.360 nan 0.000 0.452 244 Q N -0.305 119.412 119.800 -0.139 0.000 2.119 244 Q HA 0.140 4.482 4.340 0.003 0.000 0.201 244 Q C 2.281 178.160 176.000 -0.202 0.000 0.972 244 Q CA 1.935 57.646 55.803 -0.153 0.000 0.847 244 Q CB -0.454 28.190 28.738 -0.157 0.000 0.903 244 Q HN 0.546 nan 8.270 nan 0.000 0.433 245 A N 0.080 122.694 122.820 -0.344 0.000 1.933 245 A HA -0.141 4.181 4.320 0.003 0.000 0.218 245 A C 2.089 179.588 177.584 -0.141 0.000 1.175 245 A CA 1.436 53.292 52.037 -0.301 0.000 0.628 245 A CB -0.692 18.050 19.000 -0.430 0.000 0.814 245 A HN 0.470 nan 8.150 nan 0.000 0.444 246 I N -0.509 119.992 120.570 -0.116 0.000 2.252 246 I HA -0.194 3.978 4.170 0.003 0.000 0.245 246 I C 2.308 178.393 176.117 -0.053 0.000 1.102 246 I CA 0.933 62.194 61.300 -0.065 0.000 1.385 246 I CB -0.261 37.709 38.000 -0.050 0.000 1.064 246 I HN 0.149 nan 8.210 nan 0.000 0.414 247 V N 0.753 120.632 119.914 -0.058 0.000 2.332 247 V HA -0.249 3.873 4.120 0.003 0.000 0.248 247 V C 2.494 178.568 176.094 -0.034 0.000 1.055 247 V CA 1.752 64.027 62.300 -0.041 0.000 1.038 247 V CB -0.642 31.157 31.823 -0.041 0.000 0.651 247 V HN 0.414 nan 8.190 nan 0.000 0.450 248 E N -0.192 119.983 120.200 -0.042 0.000 2.072 248 E HA -0.190 4.162 4.350 0.003 0.000 0.191 248 E C 2.131 178.720 176.600 -0.018 0.000 0.985 248 E CA 0.983 57.370 56.400 -0.021 0.000 0.801 248 E CB -0.490 29.201 29.700 -0.014 0.000 0.750 248 E HN 0.452 nan 8.360 nan 0.000 0.452 249 L N 1.411 122.617 121.223 -0.028 0.000 2.046 249 L HA -0.122 4.220 4.340 0.003 0.000 0.208 249 L C 2.199 179.056 176.870 -0.023 0.000 1.077 249 L CA 1.574 56.400 54.840 -0.024 0.000 0.747 249 L CB -0.575 41.468 42.059 -0.027 0.000 0.896 249 L HN -0.075 nan 8.230 nan 0.000 0.432 250 S N -0.766 114.920 115.700 -0.023 0.000 2.370 250 S HA -0.249 4.222 4.470 0.003 0.000 0.226 250 S C 1.831 176.421 174.600 -0.016 0.000 1.033 250 S CA 1.408 59.596 58.200 -0.020 0.000 1.011 250 S CB -0.421 62.767 63.200 -0.019 0.000 0.852 250 S HN 0.596 nan 8.310 nan 0.000 0.457 251 Q N 0.970 120.762 119.800 -0.014 0.000 2.079 251 Q HA -0.051 4.291 4.340 0.003 0.000 0.200 251 Q C 2.114 178.108 176.000 -0.010 0.000 0.974 251 Q CA 1.294 57.091 55.803 -0.009 0.000 0.840 251 Q CB -0.304 28.432 28.738 -0.004 0.000 0.898 251 Q HN 0.546 nan 8.270 nan 0.000 0.430 252 I N 1.187 121.751 120.570 -0.011 0.000 2.252 252 I HA -0.249 3.922 4.170 0.003 0.000 0.245 252 I C 2.527 178.632 176.117 -0.020 0.000 1.102 252 I CA 1.533 62.824 61.300 -0.014 0.000 1.385 252 I CB -0.224 37.767 38.000 -0.014 0.000 1.064 252 I HN 0.239 nan 8.210 nan 0.000 0.414 253 S N 0.044 115.731 115.700 -0.022 0.000 2.470 253 S HA 0.138 4.610 4.470 0.003 0.000 0.225 253 S C 1.762 176.349 174.600 -0.022 0.000 1.006 253 S CA 0.464 58.649 58.200 -0.026 0.000 0.934 253 S CB 0.211 63.394 63.200 -0.030 0.000 0.778 253 S HN 0.589 nan 8.310 nan 0.000 0.517 254 G N 0.892 109.681 108.800 -0.017 0.000 2.136 254 G HA2 -0.200 3.761 3.960 0.003 0.000 0.242 254 G HA3 -0.200 3.761 3.960 0.003 0.000 0.242 254 G C -0.136 174.757 174.900 -0.012 0.000 0.989 254 G CA 0.298 45.389 45.100 -0.014 0.000 0.682 254 G HN 0.603 nan 8.290 nan 0.000 0.522 255 I N 0.178 120.741 120.570 -0.013 0.000 2.533 255 I HA 0.314 4.486 4.170 0.003 0.000 0.290 255 I C 0.247 176.358 176.117 -0.011 0.000 1.056 255 I CA -0.874 60.420 61.300 -0.010 0.000 1.057 255 I CB 2.058 40.052 38.000 -0.010 0.000 1.240 255 I HN 0.164 nan 8.210 nan 0.000 0.423 256 E N 7.032 127.226 120.200 -0.010 0.000 2.265 256 E HA 0.308 4.660 4.350 0.003 0.000 0.272 256 E C -1.280 175.312 176.600 -0.013 0.000 1.067 256 E CA -0.156 56.237 56.400 -0.012 0.000 0.900 256 E CB 0.637 30.330 29.700 -0.012 0.000 1.017 256 E HN 0.448 nan 8.360 nan 0.000 0.431 257 L N 3.135 124.348 121.223 -0.015 0.000 2.332 257 L HA 0.718 5.060 4.340 0.003 0.000 0.269 257 L C 0.207 177.065 176.870 -0.019 0.000 1.016 257 L CA -0.728 54.102 54.840 -0.016 0.000 0.809 257 L CB 1.521 43.570 42.059 -0.017 0.000 1.280 257 L HN 0.468 nan 8.230 nan 0.000 0.447 258 K N 0.443 120.831 120.400 -0.020 0.000 2.477 258 K HA 0.852 5.174 4.320 0.003 0.000 0.255 258 K C -0.681 175.905 176.600 -0.023 0.000 0.952 258 K CA -0.216 56.057 56.287 -0.023 0.000 0.826 258 K CB 1.647 34.132 32.500 -0.025 0.000 1.331 258 K HN 0.777 nan 8.250 nan 0.000 0.437 259 A N 1.147 123.953 122.820 -0.022 0.000 2.488 259 A HA 0.496 4.818 4.320 0.003 0.000 0.249 259 A C 0.778 178.347 177.584 -0.026 0.000 1.083 259 A CA 0.723 52.748 52.037 -0.020 0.000 0.768 259 A CB -0.321 18.670 19.000 -0.015 0.000 1.017 259 A HN 1.164 nan 8.150 nan 0.000 0.496 260 T N 1.889 116.426 114.554 -0.029 0.000 2.933 260 T HA 0.230 4.581 4.350 0.003 0.000 0.306 260 T C 1.513 176.193 174.700 -0.033 0.000 1.045 260 T CA 0.671 62.746 62.100 -0.041 0.000 1.143 260 T CB 0.348 69.185 68.868 -0.051 0.000 1.003 260 T HN 0.928 nan 8.240 nan 0.000 0.540 261 G N 3.792 112.570 108.800 -0.037 0.000 2.650 261 G HA2 0.013 3.975 3.960 0.003 0.000 0.214 261 G HA3 0.013 3.975 3.960 0.003 0.000 0.214 261 G C 0.661 175.545 174.900 -0.027 0.000 1.136 261 G CA -0.073 45.010 45.100 -0.029 0.000 0.789 261 G HN 0.722 nan 8.290 nan 0.000 0.536 262 N N -0.111 118.566 118.700 -0.039 0.000 2.581 262 N HA 0.265 5.006 4.740 0.003 0.000 0.279 262 N C 0.867 176.350 175.510 -0.045 0.000 1.124 262 N CA -0.429 52.598 53.050 -0.038 0.000 0.833 262 N CB 1.362 39.821 38.487 -0.048 0.000 1.338 262 N HN -0.056 nan 8.380 nan 0.000 0.533 263 L N 1.906 123.116 121.223 -0.020 0.000 2.156 263 L HA 0.011 4.353 4.340 0.003 0.000 0.208 263 L C 1.880 178.747 176.870 -0.005 0.000 1.095 263 L CA 0.772 55.605 54.840 -0.012 0.000 0.770 263 L CB 0.091 42.156 42.059 0.010 0.000 0.914 263 L HN 0.330 nan 8.230 nan 0.000 0.439 264 V N -0.221 119.701 119.914 0.013 0.000 2.427 264 V HA -0.254 3.868 4.120 0.003 0.000 0.248 264 V C 2.459 178.569 176.094 0.026 0.000 1.051 264 V CA 1.742 64.075 62.300 0.056 0.000 1.048 264 V CB -0.342 31.529 31.823 0.080 0.000 0.666 264 V HN 0.494 nan 8.190 nan 0.000 0.456 265 E N 0.524 120.680 120.200 -0.074 0.000 2.047 265 E HA -0.199 4.153 4.350 0.003 0.000 0.191 265 E C 2.249 178.584 176.600 -0.441 0.000 0.987 265 E CA 1.329 57.557 56.400 -0.286 0.000 0.799 265 E CB -0.155 29.403 29.700 -0.238 0.000 0.752 265 E HN 0.535 nan 8.360 nan 0.000 0.449 266 A N 1.138 123.817 122.820 -0.235 0.000 2.019 266 A HA -0.199 4.123 4.320 0.003 0.000 0.219 266 A C 2.306 179.807 177.584 -0.137 0.000 1.164 266 A CA 1.929 53.850 52.037 -0.193 0.000 0.644 266 A CB -0.753 18.187 19.000 -0.099 0.000 0.805 266 A HN 0.478 nan 8.150 nan 0.000 0.449 267 S N -0.090 115.568 115.700 -0.070 0.000 2.374 267 S HA -0.210 4.261 4.470 0.003 0.000 0.227 267 S C 1.679 176.367 174.600 0.146 0.000 1.037 267 S CA 1.496 59.734 58.200 0.064 0.000 1.024 267 S CB -0.825 62.460 63.200 0.142 0.000 0.861 267 S HN 1.024 nan 8.310 nan 0.000 0.456 268 W N 1.021 122.343 121.300 0.036 0.000 3.008 268 W HA 0.486 5.148 4.660 0.003 0.000 0.355 268 W C -0.415 176.142 176.519 0.064 0.000 1.095 268 W CA -0.571 56.802 57.345 0.046 0.000 1.738 268 W CB -0.883 28.597 29.460 0.033 0.000 1.091 268 W HN 0.168 nan 8.180 nan 0.000 0.574 269 D N 2.434 122.706 120.400 -0.214 0.000 2.348 269 D HA 0.146 4.788 4.640 0.003 0.000 0.253 269 D C 1.096 177.349 176.300 -0.078 0.000 1.161 269 D CA 1.059 54.869 54.000 -0.317 0.000 0.876 269 D CB 1.453 41.950 40.800 -0.505 0.000 1.160 269 D HN 0.017 nan 8.370 nan 0.000 0.459 270 T N -0.285 114.278 114.554 0.015 0.000 3.144 270 T HA 0.265 4.617 4.350 0.003 0.000 0.290 270 T C 1.740 176.453 174.700 0.022 0.000 0.966 270 T CA -0.047 62.130 62.100 0.130 0.000 0.907 270 T CB 0.446 69.561 68.868 0.411 0.000 1.152 270 T HN 0.303 nan 8.240 nan 0.000 0.532 271 G N 2.120 110.878 108.800 -0.070 0.000 2.476 271 G HA2 -0.097 3.865 3.960 0.003 0.000 0.218 271 G HA3 -0.097 3.865 3.960 0.003 0.000 0.218 271 G C 1.743 176.601 174.900 -0.069 0.000 1.164 271 G CA 0.954 46.025 45.100 -0.049 0.000 0.768 271 G HN 0.728 nan 8.290 nan 0.000 0.560 272 A N 0.485 123.181 122.820 -0.207 0.000 1.902 272 A HA 0.106 4.427 4.320 0.003 0.000 0.217 272 A C 2.161 179.800 177.584 0.092 0.000 1.181 272 A CA 1.662 53.578 52.037 -0.202 0.000 0.623 272 A CB -0.554 18.221 19.000 -0.375 0.000 0.818 272 A HN 0.273 nan 8.150 nan 0.000 0.443 273 F N 0.059 120.194 119.950 0.309 0.000 2.091 273 F HA -0.171 4.358 4.527 0.003 0.000 0.299 273 F C 2.462 178.417 175.800 0.258 0.000 1.103 273 F CA 1.160 59.352 58.000 0.320 0.000 1.228 273 F CB -1.304 37.813 39.000 0.196 0.000 0.984 273 F HN 0.037 nan 8.300 nan 0.000 0.477 274 V N -0.489 119.624 119.914 0.332 0.000 2.358 274 V HA -0.253 3.869 4.120 0.003 0.000 0.246 274 V C 2.260 178.455 176.094 0.168 0.000 1.047 274 V CA 2.320 64.752 62.300 0.220 0.000 1.035 274 V CB -1.117 30.803 31.823 0.162 0.000 0.658 274 V HN 0.390 nan 8.190 nan 0.000 0.452 275 T N -0.039 114.597 114.554 0.137 0.000 2.746 275 T HA -0.187 4.165 4.350 0.003 0.000 0.267 275 T C 1.708 176.487 174.700 0.131 0.000 1.039 275 T CA 1.835 63.987 62.100 0.087 0.000 1.142 275 T CB -0.385 68.498 68.868 0.024 0.000 0.866 275 T HN 0.404 nan 8.240 nan 0.000 0.444 276 F N 1.596 121.596 119.950 0.085 0.000 2.113 276 F HA -0.041 4.488 4.527 0.002 0.000 0.297 276 F C 2.777 178.656 175.800 0.131 0.000 1.103 276 F CA 1.236 59.318 58.000 0.135 0.000 1.248 276 F CB -0.610 38.603 39.000 0.355 0.000 0.999 276 F HN 0.075 nan 8.300 nan 0.000 0.475 277 S N -0.105 115.752 115.700 0.262 0.000 2.387 277 S HA -0.178 4.293 4.470 0.003 0.000 0.230 277 S C 2.366 176.967 174.600 0.001 0.000 1.035 277 S CA 1.566 59.838 58.200 0.119 0.000 1.014 277 S CB -1.187 62.111 63.200 0.162 0.000 0.836 277 S HN 0.563 nan 8.310 nan 0.000 0.466 278 G N 0.993 109.802 108.800 0.015 0.000 2.418 278 G HA2 -0.171 3.790 3.960 0.003 0.000 0.217 278 G HA3 -0.171 3.790 3.960 0.003 0.000 0.217 278 G C 1.374 176.226 174.900 -0.080 0.000 1.158 278 G CA 0.998 46.087 45.100 -0.018 0.000 0.771 278 G HN 0.566 nan 8.290 nan 0.000 0.545 279 I N 0.777 121.253 120.570 -0.156 0.000 2.353 279 I HA 0.026 4.197 4.170 0.003 0.000 0.248 279 I C 2.544 178.525 176.117 -0.226 0.000 1.119 279 I CA 0.665 61.843 61.300 -0.204 0.000 1.417 279 I CB -0.265 37.584 38.000 -0.251 0.000 1.078 279 I HN 0.132 nan 8.210 nan 0.000 0.421 280 L N 0.181 121.226 121.223 -0.297 0.000 2.042 280 L HA -0.215 4.126 4.340 0.003 0.000 0.210 280 L C 2.753 179.555 176.870 -0.113 0.000 1.076 280 L CA 1.423 56.136 54.840 -0.212 0.000 0.749 280 L CB -0.964 40.983 42.059 -0.187 0.000 0.893 280 L HN 0.262 nan 8.230 nan 0.000 0.432 281 R N 0.855 121.306 120.500 -0.082 0.000 2.081 281 R HA -0.197 4.145 4.340 0.003 0.000 0.235 281 R C 2.377 178.651 176.300 -0.042 0.000 1.131 281 R CA 1.764 57.839 56.100 -0.042 0.000 0.960 281 R CB -0.324 29.964 30.300 -0.021 0.000 0.856 281 R HN 0.313 nan 8.270 nan 0.000 0.436 282 R N 0.262 120.728 120.500 -0.056 0.000 2.081 282 R HA -0.075 4.267 4.340 0.003 0.000 0.235 282 R C 2.421 178.689 176.300 -0.053 0.000 1.131 282 R CA 1.556 57.627 56.100 -0.049 0.000 0.960 282 R CB -0.286 29.982 30.300 -0.054 0.000 0.856 282 R HN 0.250 nan 8.270 nan 0.000 0.436 283 I N 0.768 121.295 120.570 -0.072 0.000 2.226 283 I HA -0.232 3.940 4.170 0.003 0.000 0.245 283 I C 2.586 178.667 176.117 -0.059 0.000 1.100 283 I CA 1.259 62.519 61.300 -0.066 0.000 1.374 283 I CB -0.376 37.575 38.000 -0.081 0.000 1.057 283 I HN 0.298 nan 8.210 nan 0.000 0.413 284 A N 0.437 123.221 122.820 -0.060 0.000 1.902 284 A HA -0.156 4.166 4.320 0.003 0.000 0.217 284 A C 2.449 180.000 177.584 -0.054 0.000 1.181 284 A CA 1.707 53.707 52.037 -0.061 0.000 0.623 284 A CB -1.002 17.968 19.000 -0.050 0.000 0.818 284 A HN 0.227 nan 8.150 nan 0.000 0.443 285 V N 0.147 120.043 119.914 -0.031 0.000 2.332 285 V HA -0.320 3.801 4.120 0.003 0.000 0.248 285 V C 2.507 178.582 176.094 -0.032 0.000 1.055 285 V CA 2.534 64.826 62.300 -0.015 0.000 1.038 285 V CB -0.659 31.162 31.823 -0.004 0.000 0.651 285 V HN 0.571 nan 8.190 nan 0.000 0.450 286 K N -0.806 119.570 120.400 -0.041 0.000 2.057 286 K HA -0.122 4.200 4.320 0.003 0.000 0.206 286 K C 2.059 178.614 176.600 -0.075 0.000 1.050 286 K CA 1.099 57.357 56.287 -0.048 0.000 0.935 286 K CB -0.300 32.175 32.500 -0.041 0.000 0.715 286 K HN 0.210 nan 8.250 nan 0.000 0.439 287 L N 0.894 122.072 121.223 -0.074 0.000 2.093 287 L HA -0.111 4.231 4.340 0.003 0.000 0.208 287 L C 2.373 179.169 176.870 -0.123 0.000 1.085 287 L CA 1.554 56.342 54.840 -0.087 0.000 0.755 287 L CB -0.608 41.409 42.059 -0.070 0.000 0.904 287 L HN 0.052 nan 8.230 nan 0.000 0.435 288 S N -1.148 114.477 115.700 -0.125 0.000 2.368 288 S HA -0.187 4.285 4.470 0.003 0.000 0.224 288 S C 2.200 176.735 174.600 -0.108 0.000 1.029 288 S CA 1.040 59.148 58.200 -0.155 0.000 0.988 288 S CB -0.268 62.822 63.200 -0.184 0.000 0.838 288 S HN 0.338 nan 8.310 nan 0.000 0.462 289 K N 1.123 121.475 120.400 -0.081 0.000 2.032 289 K HA -0.066 4.256 4.320 0.003 0.000 0.209 289 K C 2.012 178.529 176.600 -0.137 0.000 1.048 289 K CA 1.627 57.873 56.287 -0.068 0.000 0.927 289 K CB -0.645 31.830 32.500 -0.041 0.000 0.712 289 K HN 0.510 nan 8.250 nan 0.000 0.441 290 I N 0.948 121.379 120.570 -0.233 0.000 2.226 290 I HA -0.263 3.908 4.170 0.003 0.000 0.245 290 I C 2.524 178.393 176.117 -0.414 0.000 1.100 290 I CA 1.207 62.199 61.300 -0.514 0.000 1.374 290 I CB -0.378 37.223 38.000 -0.666 0.000 1.057 290 I HN 0.140 nan 8.210 nan 0.000 0.413 291 A N 1.078 123.756 122.820 -0.236 0.000 1.908 291 A HA -0.237 4.085 4.320 0.003 0.000 0.218 291 A C 2.069 179.584 177.584 -0.115 0.000 1.181 291 A CA 2.063 54.008 52.037 -0.155 0.000 0.627 291 A CB -0.728 18.197 19.000 -0.126 0.000 0.818 291 A HN 0.419 nan 8.150 nan 0.000 0.445 292 N N 0.627 119.269 118.700 -0.097 0.000 2.069 292 N HA -0.149 4.593 4.740 0.003 0.000 0.191 292 N C 1.217 176.705 175.510 -0.038 0.000 1.031 292 N CA 1.670 54.693 53.050 -0.045 0.000 0.852 292 N CB -0.594 37.882 38.487 -0.018 0.000 1.018 292 N HN 0.451 nan 8.380 nan 0.000 0.423 293 D N 0.793 121.154 120.400 -0.064 0.000 2.104 293 D HA -0.098 4.544 4.640 0.003 0.000 0.194 293 D C 2.172 178.467 176.300 -0.007 0.000 0.994 293 D CA 0.576 54.565 54.000 -0.019 0.000 0.830 293 D CB -0.388 40.419 40.800 0.011 0.000 0.959 293 D HN 0.227 nan 8.370 nan 0.000 0.452 294 L N 0.206 121.384 121.223 -0.075 0.000 2.046 294 L HA -0.135 4.207 4.340 0.003 0.000 0.208 294 L C 2.562 179.453 176.870 0.035 0.000 1.077 294 L CA 1.138 55.981 54.840 0.005 0.000 0.747 294 L CB -0.259 41.790 42.059 -0.017 0.000 0.896 294 L HN -0.008 nan 8.230 nan 0.000 0.432 295 R N -0.495 120.010 120.500 0.008 0.000 2.092 295 R HA -0.159 4.183 4.340 0.003 0.000 0.231 295 R C 2.166 178.482 176.300 0.026 0.000 1.119 295 R CA 1.050 57.161 56.100 0.019 0.000 0.970 295 R CB -0.376 29.928 30.300 0.008 0.000 0.864 295 R HN 0.194 nan 8.270 nan 0.000 0.440 296 L N 0.967 122.205 121.223 0.025 0.000 2.044 296 L HA -0.057 4.284 4.340 0.003 0.000 0.205 296 L C 1.868 178.760 176.870 0.037 0.000 1.075 296 L CA 1.580 56.437 54.840 0.028 0.000 0.747 296 L CB -0.315 41.758 42.059 0.025 0.000 0.903 296 L HN 0.090 nan 8.230 nan 0.000 0.435 297 L N -0.499 120.756 121.223 0.054 0.000 2.275 297 L HA -0.094 4.248 4.340 0.003 0.000 0.215 297 L C 2.078 178.985 176.870 0.061 0.000 1.119 297 L CA 1.177 56.058 54.840 0.067 0.000 0.790 297 L CB -0.619 41.508 42.059 0.113 0.000 0.919 297 L HN 0.517 nan 8.230 nan 0.000 0.443 298 S N -1.689 114.047 115.700 0.060 0.000 2.557 298 S HA 0.073 4.545 4.470 0.003 0.000 0.223 298 S C 0.862 175.483 174.600 0.035 0.000 0.969 298 S CA -0.337 57.894 58.200 0.051 0.000 0.927 298 S CB -0.306 62.932 63.200 0.063 0.000 0.806 298 S HN 0.346 nan 8.310 nan 0.000 0.489 299 S N 0.565 116.283 115.700 0.030 0.000 2.563 299 S HA 0.625 5.096 4.470 0.003 0.000 0.284 299 S C 0.905 175.515 174.600 0.018 0.000 1.331 299 S CA 0.202 58.415 58.200 0.022 0.000 1.047 299 S CB 0.447 63.659 63.200 0.020 0.000 0.859 299 S HN 1.502 nan 8.310 nan 0.000 0.514 300 G N 2.014 110.824 108.800 0.015 0.000 2.217 300 G HA2 0.062 4.024 3.960 0.003 0.000 0.173 300 G HA3 0.062 4.024 3.960 0.003 0.000 0.173 300 G C -2.322 172.585 174.900 0.012 0.000 1.324 300 G CA -0.173 44.934 45.100 0.012 0.000 1.225 300 G HN 0.673 nan 8.290 nan 0.000 0.494 301 P HA 0.212 nan 4.420 nan 0.000 0.240 301 P C 1.379 178.683 177.300 0.007 0.000 1.190 301 P CA 0.658 63.763 63.100 0.009 0.000 0.781 301 P CB 0.253 31.958 31.700 0.008 0.000 0.931 302 R N -0.503 120.001 120.500 0.006 0.000 2.142 302 R HA 0.215 4.556 4.340 0.003 0.000 0.204 302 R C 1.404 177.707 176.300 0.005 0.000 1.059 302 R CA 0.687 56.790 56.100 0.005 0.000 1.055 302 R CB -0.060 30.243 30.300 0.004 0.000 0.976 302 R HN -0.036 nan 8.270 nan 0.000 0.483 303 S N 0.245 115.949 115.700 0.006 0.000 2.561 303 S HA 0.338 4.809 4.470 0.003 0.000 0.245 303 S C 0.202 174.807 174.600 0.007 0.000 1.001 303 S CA -0.339 57.865 58.200 0.006 0.000 1.002 303 S CB 1.321 64.524 63.200 0.005 0.000 0.805 303 S HN 0.435 nan 8.310 nan 0.000 0.458 304 G N 0.517 109.321 108.800 0.008 0.000 3.211 304 G HA2 0.555 4.516 3.960 0.003 0.000 0.167 304 G HA3 0.555 4.516 3.960 0.003 0.000 0.167 304 G C 0.475 175.380 174.900 0.010 0.000 1.212 304 G CA -0.626 44.480 45.100 0.010 0.000 0.928 304 G HN 0.236 nan 8.290 nan 0.000 0.607 305 L N 0.211 121.442 121.223 0.013 0.000 2.068 305 L HA 0.165 4.506 4.340 0.003 0.000 0.204 305 L C 2.307 179.183 176.870 0.009 0.000 1.076 305 L CA 1.163 56.010 54.840 0.012 0.000 0.753 305 L CB -0.656 41.413 42.059 0.018 0.000 0.910 305 L HN 0.895 nan 8.230 nan 0.000 0.439 306 G N 0.317 109.124 108.800 0.012 0.000 2.203 306 G HA2 -0.308 3.654 3.960 0.003 0.000 0.263 306 G HA3 -0.308 3.654 3.960 0.003 0.000 0.263 306 G C 0.716 175.614 174.900 -0.002 0.000 1.012 306 G CA 0.791 45.895 45.100 0.007 0.000 0.749 306 G HN 0.479 nan 8.290 nan 0.000 0.512 307 E N -0.728 119.472 120.200 0.001 0.000 2.158 307 E HA 0.176 4.528 4.350 0.003 0.000 0.191 307 E C 1.632 178.206 176.600 -0.042 0.000 0.982 307 E CA 1.094 57.483 56.400 -0.019 0.000 0.823 307 E CB 0.147 29.844 29.700 -0.004 0.000 0.766 307 E HN 0.900 nan 8.360 nan 0.000 0.468 308 I N -3.777 116.792 120.570 -0.000 0.000 3.002 308 I HA 0.733 4.905 4.170 0.003 0.000 0.310 308 I C -0.419 175.714 176.117 0.027 0.000 1.087 308 I CA -1.364 59.932 61.300 -0.006 0.000 1.017 308 I CB 1.872 39.919 38.000 0.079 0.000 1.226 308 I HN -0.305 nan 8.210 nan 0.000 0.443 309 R N 4.100 124.617 120.500 0.030 0.000 2.534 309 R HA 0.781 5.122 4.340 0.003 0.000 0.301 309 R C -1.338 175.005 176.300 0.071 0.000 0.961 309 R CA -0.638 55.488 56.100 0.044 0.000 0.871 309 R CB 1.045 31.362 30.300 0.028 0.000 1.170 309 R HN 0.731 nan 8.270 nan 0.000 0.446 310 L N 3.821 125.087 121.223 0.071 0.000 2.350 310 L HA 0.481 4.822 4.340 0.003 0.000 0.275 310 L C -1.765 175.138 176.870 0.055 0.000 1.099 310 L CA -2.073 52.814 54.840 0.078 0.000 0.808 310 L CB 1.689 43.790 42.059 0.071 0.000 1.149 310 L HN 0.544 nan 8.230 nan 0.000 0.442 311 P HA 0.066 nan 4.420 nan 0.000 0.266 311 P C -0.764 176.552 177.300 0.028 0.000 1.195 311 P CA -0.309 62.812 63.100 0.035 0.000 0.768 311 P CB 0.654 32.372 31.700 0.030 0.000 0.838 312 A N 2.592 125.425 122.820 0.022 0.000 2.362 312 A HA 0.374 4.695 4.320 0.003 0.000 0.276 312 A C 1.058 178.650 177.584 0.014 0.000 1.153 312 A CA -0.267 51.780 52.037 0.018 0.000 0.813 312 A CB -0.011 18.999 19.000 0.016 0.000 1.081 312 A HN 0.470 nan 8.150 nan 0.000 0.507 313 V N -0.090 119.831 119.914 0.012 0.000 3.604 313 V HA 0.236 4.358 4.120 0.003 0.000 0.277 313 V C 0.269 176.368 176.094 0.008 0.000 1.399 313 V CA 0.693 62.998 62.300 0.009 0.000 1.034 313 V CB -1.258 30.569 31.823 0.008 0.000 0.824 313 V HN 0.914 nan 8.190 nan 0.000 0.439 314 Q N 1.251 121.057 119.800 0.009 0.000 2.397 314 Q HA 0.691 5.033 4.340 0.003 0.000 0.275 314 Q C -3.009 172.997 176.000 0.009 0.000 1.090 314 Q CA -1.981 53.827 55.803 0.009 0.000 0.809 314 Q CB 2.004 30.748 28.738 0.009 0.000 1.362 314 Q HN 0.246 nan 8.270 nan 0.000 0.431 315 P HA 0.217 nan 4.420 nan 0.000 0.271 315 P C -0.382 176.923 177.300 0.009 0.000 1.218 315 P CA 0.023 63.128 63.100 0.008 0.000 0.780 315 P CB 1.004 32.709 31.700 0.008 0.000 0.901 316 G N 0.417 109.222 108.800 0.009 0.000 2.552 316 G HA2 0.397 4.359 3.960 0.003 0.000 0.318 316 G HA3 0.397 4.359 3.960 0.003 0.000 0.318 316 G C -0.698 174.207 174.900 0.008 0.000 1.240 316 G CA -0.566 44.539 45.100 0.009 0.000 1.002 316 G HN 0.558 nan 8.290 nan 0.000 0.493 317 S N -0.993 114.711 115.700 0.008 0.000 2.528 317 S HA 0.224 4.696 4.470 0.003 0.000 0.277 317 S C 1.825 176.429 174.600 0.007 0.000 1.297 317 S CA 0.333 58.537 58.200 0.007 0.000 1.052 317 S CB 1.132 64.336 63.200 0.007 0.000 0.917 317 S HN 0.769 nan 8.310 nan 0.000 0.492 318 S N 4.333 120.036 115.700 0.006 0.000 2.382 318 S HA -0.115 4.357 4.470 0.003 0.000 0.228 318 S C 1.701 176.305 174.600 0.005 0.000 1.027 318 S CA 1.452 59.656 58.200 0.006 0.000 0.991 318 S CB -0.501 62.703 63.200 0.005 0.000 0.823 318 S HN 0.810 nan 8.310 nan 0.000 0.469 319 I N 0.506 121.079 120.570 0.005 0.000 2.676 319 I HA 0.116 4.288 4.170 0.003 0.000 0.259 319 I C 0.492 176.612 176.117 0.005 0.000 1.194 319 I CA 0.841 62.144 61.300 0.005 0.000 1.473 319 I CB 0.051 38.054 38.000 0.005 0.000 1.096 319 I HN 0.297 nan 8.210 nan 0.000 0.443 320 M N 2.737 122.341 119.600 0.006 0.000 3.234 320 M HA 0.344 4.826 4.480 0.003 0.000 0.211 320 M C -2.377 173.928 176.300 0.007 0.000 1.149 320 M CA -2.208 53.096 55.300 0.007 0.000 1.050 320 M CB -0.395 32.209 32.600 0.007 0.000 1.281 320 M HN -0.099 nan 8.290 nan 0.000 0.574 321 P HA 0.284 nan 4.420 nan 0.000 0.272 321 P C 0.919 178.223 177.300 0.008 0.000 1.230 321 P CA 0.838 63.943 63.100 0.007 0.000 0.788 321 P CB 1.144 32.847 31.700 0.007 0.000 0.949 322 G N 1.210 110.016 108.800 0.009 0.000 2.363 322 G HA2 -0.284 3.677 3.960 0.003 0.000 0.238 322 G HA3 -0.284 3.677 3.960 0.003 0.000 0.238 322 G C 0.327 175.234 174.900 0.011 0.000 1.062 322 G CA 0.491 45.597 45.100 0.010 0.000 0.629 322 G HN 0.814 nan 8.290 nan 0.000 0.514 323 K N 0.924 121.330 120.400 0.011 0.000 2.419 323 K HA 0.433 4.755 4.320 0.003 0.000 0.282 323 K C -0.475 176.133 176.600 0.014 0.000 1.056 323 K CA 0.107 56.401 56.287 0.012 0.000 1.035 323 K CB 0.434 32.941 32.500 0.011 0.000 0.921 323 K HN 0.218 nan 8.250 nan 0.000 0.472 324 V N 5.450 125.374 119.914 0.016 0.000 2.398 324 V HA 0.124 4.245 4.120 0.003 0.000 0.282 324 V C -0.740 175.365 176.094 0.019 0.000 1.014 324 V CA -1.224 61.087 62.300 0.019 0.000 0.838 324 V CB 1.078 32.915 31.823 0.022 0.000 1.018 324 V HN 0.809 nan 8.190 nan 0.000 0.432 325 N N 6.506 125.216 118.700 0.017 0.000 2.483 325 N HA 0.189 4.930 4.740 0.003 0.000 0.264 325 N C -2.109 173.412 175.510 0.018 0.000 1.197 325 N CA -1.244 51.816 53.050 0.017 0.000 0.927 325 N CB 1.095 39.591 38.487 0.015 0.000 1.065 325 N HN 0.394 nan 8.380 nan 0.000 0.461 326 P HA 0.035 nan 4.420 nan 0.000 0.225 326 P C 1.092 178.400 177.300 0.012 0.000 1.813 326 P CA -0.233 62.879 63.100 0.020 0.000 1.013 326 P CB -0.139 31.573 31.700 0.021 0.000 1.961 327 V N -0.608 119.313 119.914 0.012 0.000 2.515 327 V HA -0.177 3.945 4.120 0.003 0.000 0.250 327 V C 1.991 178.085 176.094 -0.000 0.000 1.058 327 V CA 1.199 63.503 62.300 0.007 0.000 1.064 327 V CB -1.206 30.622 31.823 0.008 0.000 0.675 327 V HN 0.069 nan 8.190 nan 0.000 0.461 328 I N 0.901 121.471 120.570 -0.000 0.000 2.113 328 I HA -0.043 4.129 4.170 0.003 0.000 0.238 328 I C 0.445 176.550 176.117 -0.021 0.000 1.070 328 I CA 1.485 62.779 61.300 -0.010 0.000 1.332 328 I CB -2.865 35.130 38.000 -0.007 0.000 1.044 328 I HN 0.330 nan 8.210 nan 0.000 0.402 329 P HA -0.171 nan 4.420 nan 0.000 0.216 329 P C 1.558 178.830 177.300 -0.046 0.000 1.150 329 P CA 1.500 64.579 63.100 -0.035 0.000 0.843 329 P CB -0.044 31.642 31.700 -0.024 0.000 0.787 330 E N -0.426 119.759 120.200 -0.025 0.000 2.110 330 E HA -0.165 4.187 4.350 0.003 0.000 0.193 330 E C 2.153 178.731 176.600 -0.036 0.000 0.988 330 E CA 1.740 58.127 56.400 -0.021 0.000 0.804 330 E CB -0.423 29.278 29.700 0.002 0.000 0.745 330 E HN 0.336 nan 8.360 nan 0.000 0.458 331 S N 0.195 115.876 115.700 -0.032 0.000 2.406 331 S HA -0.092 4.380 4.470 0.003 0.000 0.228 331 S C 2.167 176.729 174.600 -0.063 0.000 1.020 331 S CA 0.820 59.000 58.200 -0.033 0.000 0.965 331 S CB -0.306 62.882 63.200 -0.020 0.000 0.798 331 S HN 0.049 nan 8.310 nan 0.000 0.488 332 V N 3.008 122.875 119.914 -0.078 0.000 2.295 332 V HA -0.194 3.928 4.120 0.003 0.000 0.246 332 V C 2.426 178.406 176.094 -0.189 0.000 1.049 332 V CA 2.247 64.482 62.300 -0.109 0.000 1.024 332 V CB -1.413 30.353 31.823 -0.094 0.000 0.648 332 V HN 0.534 nan 8.190 nan 0.000 0.447 333 N N -0.160 118.405 118.700 -0.225 0.000 2.069 333 N HA -0.242 4.500 4.740 0.003 0.000 0.191 333 N C 1.949 177.111 175.510 -0.579 0.000 1.031 333 N CA 1.571 54.346 53.050 -0.459 0.000 0.852 333 N CB -0.203 38.094 38.487 -0.316 0.000 1.018 333 N HN 0.575 nan 8.380 nan 0.000 0.423 334 Q N 0.143 119.808 119.800 -0.225 0.000 2.084 334 Q HA -0.095 4.247 4.340 0.003 0.000 0.202 334 Q C 2.135 178.087 176.000 -0.080 0.000 0.978 334 Q CA 1.079 56.842 55.803 -0.067 0.000 0.844 334 Q CB -0.083 28.662 28.738 0.013 0.000 0.898 334 Q HN 0.229 nan 8.270 nan 0.000 0.426 335 V N 0.372 120.224 119.914 -0.103 0.000 2.332 335 V HA -0.328 3.793 4.120 0.003 0.000 0.248 335 V C 2.331 178.368 176.094 -0.096 0.000 1.055 335 V CA 1.617 63.873 62.300 -0.074 0.000 1.038 335 V CB -0.499 31.284 31.823 -0.067 0.000 0.651 335 V HN 0.534 nan 8.190 nan 0.000 0.450 336 C N -0.920 118.263 119.300 -0.195 0.000 2.425 336 C HA -0.150 4.312 4.460 0.003 0.000 0.277 336 C C 2.564 177.510 174.990 -0.074 0.000 1.280 336 C CA 0.474 59.383 59.018 -0.182 0.000 1.744 336 C CB -1.180 26.393 27.740 -0.278 0.000 1.989 336 C HN 0.601 nan 8.230 nan 0.000 0.491 337 Y N 0.898 121.191 120.300 -0.012 0.000 2.293 337 Y HA -0.133 4.418 4.550 0.003 0.000 0.291 337 Y C 2.572 178.468 175.900 -0.006 0.000 1.137 337 Y CA 1.293 59.388 58.100 -0.009 0.000 1.202 337 Y CB -1.246 37.210 38.460 -0.006 0.000 0.990 337 Y HN 0.316 nan 8.280 nan 0.000 0.537 338 Q N 0.318 120.191 119.800 0.122 0.000 2.050 338 Q HA -0.121 4.220 4.340 0.003 0.000 0.202 338 Q C 2.278 178.301 176.000 0.038 0.000 0.980 338 Q CA 1.869 57.712 55.803 0.067 0.000 0.840 338 Q CB -0.547 28.213 28.738 0.038 0.000 0.898 338 Q HN 0.288 nan 8.270 nan 0.000 0.424 339 V N 0.276 120.201 119.914 0.019 0.000 2.343 339 V HA -0.254 3.867 4.120 0.003 0.000 0.247 339 V C 2.180 178.285 176.094 0.019 0.000 1.051 339 V CA 1.797 64.098 62.300 0.002 0.000 1.036 339 V CB -0.505 31.306 31.823 -0.020 0.000 0.654 339 V HN 0.391 nan 8.190 nan 0.000 0.451 340 I N 0.558 121.155 120.570 0.045 0.000 2.226 340 I HA -0.158 4.013 4.170 0.003 0.000 0.245 340 I C 2.550 178.695 176.117 0.046 0.000 1.100 340 I CA 1.703 63.034 61.300 0.052 0.000 1.374 340 I CB -0.831 37.222 38.000 0.089 0.000 1.057 340 I HN 0.398 nan 8.210 nan 0.000 0.413 341 G N 0.634 109.465 108.800 0.053 0.000 2.404 341 G HA2 -0.231 3.731 3.960 0.003 0.000 0.215 341 G HA3 -0.231 3.731 3.960 0.003 0.000 0.215 341 G C 1.405 176.326 174.900 0.035 0.000 1.174 341 G CA 0.623 45.748 45.100 0.042 0.000 0.780 341 G HN 0.282 nan 8.290 nan 0.000 0.537 342 N N 0.887 119.602 118.700 0.026 0.000 2.149 342 N HA -0.101 4.641 4.740 0.003 0.000 0.188 342 N C 1.766 177.288 175.510 0.021 0.000 1.019 342 N CA 1.435 54.492 53.050 0.012 0.000 0.857 342 N CB -0.424 38.051 38.487 -0.020 0.000 0.997 342 N HN 0.445 nan 8.380 nan 0.000 0.426 343 D N -0.069 120.347 120.400 0.027 0.000 2.144 343 D HA -0.109 4.532 4.640 0.003 0.000 0.199 343 D C 1.874 178.201 176.300 0.045 0.000 0.984 343 D CA 0.416 54.439 54.000 0.039 0.000 0.834 343 D CB -0.067 40.752 40.800 0.031 0.000 0.955 343 D HN 0.108 nan 8.370 nan 0.000 0.465 344 L N 0.185 121.431 121.223 0.038 0.000 2.027 344 L HA -0.076 4.266 4.340 0.003 0.000 0.206 344 L C 2.191 179.084 176.870 0.039 0.000 1.074 344 L CA 1.905 56.767 54.840 0.037 0.000 0.745 344 L CB -1.190 40.886 42.059 0.029 0.000 0.898 344 L HN 0.010 nan 8.230 nan 0.000 0.433 345 T N -0.679 113.897 114.554 0.038 0.000 2.665 345 T HA -0.217 4.134 4.350 0.003 0.000 0.268 345 T C 1.973 176.699 174.700 0.043 0.000 1.035 345 T CA 1.967 64.090 62.100 0.039 0.000 1.151 345 T CB -0.525 68.372 68.868 0.048 0.000 0.862 345 T HN 0.236 nan 8.240 nan 0.000 0.438 346 V N 1.260 121.206 119.914 0.053 0.000 2.332 346 V HA -0.210 3.912 4.120 0.003 0.000 0.248 346 V C 2.781 178.937 176.094 0.103 0.000 1.055 346 V CA 2.117 64.465 62.300 0.079 0.000 1.038 346 V CB -1.157 30.721 31.823 0.092 0.000 0.651 346 V HN 0.534 nan 8.190 nan 0.000 0.450 347 T N -0.205 114.402 114.554 0.088 0.000 2.684 347 T HA -0.217 4.135 4.350 0.003 0.000 0.267 347 T C 1.886 176.638 174.700 0.087 0.000 1.036 347 T CA 1.913 64.068 62.100 0.091 0.000 1.148 347 T CB -0.274 68.636 68.868 0.069 0.000 0.863 347 T HN 0.328 nan 8.240 nan 0.000 0.436 348 M N 0.697 120.334 119.600 0.061 0.000 2.086 348 M HA -0.042 4.439 4.480 0.003 0.000 0.261 348 M C 2.854 179.185 176.300 0.051 0.000 1.067 348 M CA 1.539 56.863 55.300 0.041 0.000 1.116 348 M CB -0.517 32.087 32.600 0.005 0.000 1.348 348 M HN 0.297 nan 8.290 nan 0.000 0.407 349 A N 0.505 123.358 122.820 0.055 0.000 1.908 349 A HA -0.099 4.223 4.320 0.003 0.000 0.218 349 A C 2.356 180.097 177.584 0.262 0.000 1.181 349 A CA 2.091 54.204 52.037 0.127 0.000 0.627 349 A CB -0.881 18.198 19.000 0.131 0.000 0.818 349 A HN 0.516 nan 8.150 nan 0.000 0.445 350 A N -0.865 122.083 122.820 0.213 0.000 1.897 350 A HA -0.118 4.204 4.320 0.003 0.000 0.215 350 A C 2.047 179.767 177.584 0.228 0.000 1.181 350 A CA 1.585 53.770 52.037 0.246 0.000 0.620 350 A CB -0.436 18.700 19.000 0.226 0.000 0.821 350 A HN 0.486 nan 8.150 nan 0.000 0.443 351 E N 0.643 120.947 120.200 0.173 0.000 2.338 351 E HA -0.077 4.275 4.350 0.003 0.000 0.197 351 E C 0.967 177.651 176.600 0.139 0.000 1.007 351 E CA 1.058 57.540 56.400 0.138 0.000 0.849 351 E CB -0.083 29.675 29.700 0.097 0.000 0.774 351 E HN 0.486 nan 8.360 nan 0.000 0.506 352 S N 0.142 115.960 115.700 0.197 0.000 2.634 352 S HA 0.205 4.677 4.470 0.003 0.000 0.221 352 S C 0.597 175.353 174.600 0.261 0.000 0.952 352 S CA 0.140 58.487 58.200 0.246 0.000 0.930 352 S CB 0.563 63.958 63.200 0.324 0.000 0.780 352 S HN 0.291 nan 8.310 nan 0.000 0.498 353 G N 1.234 110.145 108.800 0.186 0.000 2.544 353 G HA2 0.381 4.343 3.960 0.003 0.000 0.242 353 G HA3 0.381 4.343 3.960 0.003 0.000 0.242 353 G C -0.522 174.367 174.900 -0.018 0.000 1.247 353 G CA -0.308 44.852 45.100 0.099 0.000 0.840 353 G HN 0.375 nan 8.290 nan 0.000 0.578 354 Q N 0.648 120.408 119.800 -0.067 0.000 2.275 354 Q HA 0.474 4.816 4.340 0.003 0.000 0.266 354 Q C 0.402 176.315 176.000 -0.145 0.000 1.002 354 Q CA -0.680 55.055 55.803 -0.113 0.000 0.761 354 Q CB 2.207 30.906 28.738 -0.064 0.000 1.255 354 Q HN 0.575 nan 8.270 nan 0.000 0.446 355 L N 0.595 121.670 121.223 -0.247 0.000 5.712 355 L HA -0.440 3.901 4.340 0.003 0.000 0.053 355 L C 0.644 177.425 176.870 -0.149 0.000 2.787 355 L CA 1.240 55.950 54.840 -0.216 0.000 1.527 355 L CB -0.980 41.019 42.059 -0.100 0.000 2.908 355 L HN 0.631 nan 8.230 nan 0.000 0.994 356 Q N 0.203 120.009 119.800 0.010 0.000 2.247 356 Q HA 0.563 4.904 4.340 0.003 0.000 0.205 356 Q C -0.790 175.309 176.000 0.164 0.000 0.896 356 Q CA 0.406 56.299 55.803 0.151 0.000 0.950 356 Q CB 0.501 29.304 28.738 0.109 0.000 1.054 356 Q HN 0.296 nan 8.270 nan 0.000 0.482 357 L N -0.343 120.954 121.223 0.123 0.000 2.545 357 L HA 0.411 4.753 4.340 0.003 0.000 0.258 357 L C -1.692 175.226 176.870 0.079 0.000 0.942 357 L CA -0.455 54.449 54.840 0.107 0.000 0.855 357 L CB 2.021 44.092 42.059 0.020 0.000 1.374 357 L HN -0.073 nan 8.230 nan 0.000 0.411 358 N N 2.380 121.145 118.700 0.108 0.000 2.426 358 N HA 0.397 5.138 4.740 0.003 0.000 0.257 358 N C 0.266 175.686 175.510 -0.150 0.000 1.002 358 N CA 0.403 53.469 53.050 0.027 0.000 0.942 358 N CB 2.143 40.742 38.487 0.186 0.000 1.112 358 N HN 0.795 nan 8.380 nan 0.000 0.499 359 A N 3.503 126.009 122.820 -0.524 0.000 2.235 359 A HA 0.081 4.403 4.320 0.003 0.000 0.208 359 A C 0.147 177.375 177.584 -0.594 0.000 1.172 359 A CA 0.506 52.134 52.037 -0.682 0.000 0.786 359 A CB -0.342 18.080 19.000 -0.962 0.000 0.804 359 A HN 0.592 nan 8.150 nan 0.000 0.479 360 F N -0.413 119.557 119.950 0.034 0.000 2.698 360 F HA 0.256 4.784 4.527 0.002 0.000 0.304 360 F C 1.362 177.166 175.800 0.005 0.000 1.108 360 F CA -0.884 57.123 58.000 0.011 0.000 1.263 360 F CB -0.226 38.794 39.000 0.032 0.000 1.013 360 F HN 0.260 nan 8.300 nan 0.000 0.532 361 E N 0.888 121.172 120.200 0.140 0.000 2.153 361 E HA -0.160 4.192 4.350 0.003 0.000 0.194 361 E C -0.707 175.966 176.600 0.123 0.000 0.988 361 E CA 1.081 57.543 56.400 0.103 0.000 0.811 361 E CB -0.955 28.856 29.700 0.186 0.000 0.746 361 E HN 0.321 nan 8.360 nan 0.000 0.466 362 P HA -0.190 nan 4.420 nan 0.000 0.216 362 P C 1.519 178.802 177.300 -0.028 0.000 1.153 362 P CA 0.910 64.052 63.100 0.070 0.000 0.858 362 P CB 0.042 31.684 31.700 -0.096 0.000 0.789 363 L N -0.917 120.281 121.223 -0.041 0.000 2.027 363 L HA -0.116 4.226 4.340 0.003 0.000 0.206 363 L C 2.197 179.047 176.870 -0.033 0.000 1.074 363 L CA 1.697 56.488 54.840 -0.081 0.000 0.745 363 L CB -1.175 40.870 42.059 -0.024 0.000 0.898 363 L HN -0.137 nan 8.230 nan 0.000 0.433 364 I N -1.543 119.005 120.570 -0.037 0.000 2.127 364 I HA -0.316 3.855 4.170 0.003 0.000 0.241 364 I C 2.547 178.550 176.117 -0.189 0.000 1.075 364 I CA 1.678 62.911 61.300 -0.112 0.000 1.334 364 I CB -0.585 37.306 38.000 -0.182 0.000 1.040 364 I HN 0.199 nan 8.210 nan 0.000 0.405 365 V N 0.033 119.809 119.914 -0.231 0.000 2.407 365 V HA -0.322 3.800 4.120 0.003 0.000 0.248 365 V C 2.367 178.402 176.094 -0.098 0.000 1.055 365 V CA 1.839 63.992 62.300 -0.245 0.000 1.049 365 V CB -0.531 31.122 31.823 -0.283 0.000 0.662 365 V HN 0.487 nan 8.190 nan 0.000 0.455 366 Y N 1.703 121.902 120.300 -0.168 0.000 2.128 366 Y HA -0.243 4.309 4.550 0.003 0.000 0.284 366 Y C 2.446 178.290 175.900 -0.093 0.000 1.154 366 Y CA 2.294 60.309 58.100 -0.142 0.000 1.149 366 Y CB -0.673 37.646 38.460 -0.235 0.000 0.976 366 Y HN 0.382 nan 8.280 nan 0.000 0.505 367 N N 0.205 118.721 118.700 -0.307 0.000 2.142 367 N HA -0.161 4.581 4.740 0.003 0.000 0.186 367 N C 1.986 177.385 175.510 -0.186 0.000 1.023 367 N CA 1.879 54.738 53.050 -0.319 0.000 0.852 367 N CB -0.180 38.221 38.487 -0.143 0.000 0.998 367 N HN 0.418 nan 8.380 nan 0.000 0.424 368 I N 1.363 121.871 120.570 -0.103 0.000 2.233 368 I HA -0.213 3.959 4.170 0.003 0.000 0.243 368 I C 2.253 178.363 176.117 -0.013 0.000 1.093 368 I CA 0.733 62.034 61.300 0.001 0.000 1.380 368 I CB -0.278 37.760 38.000 0.063 0.000 1.067 368 I HN 0.050 nan 8.210 nan 0.000 0.413 369 L N 0.115 121.292 121.223 -0.076 0.000 2.042 369 L HA -0.244 4.098 4.340 0.003 0.000 0.210 369 L C 2.736 179.558 176.870 -0.080 0.000 1.076 369 L CA 1.371 56.168 54.840 -0.071 0.000 0.749 369 L CB -0.617 41.392 42.059 -0.082 0.000 0.893 369 L HN 0.205 nan 8.230 nan 0.000 0.432 370 S N -0.721 114.889 115.700 -0.150 0.000 2.353 370 S HA -0.189 4.283 4.470 0.003 0.000 0.222 370 S C 2.203 176.751 174.600 -0.086 0.000 1.035 370 S CA 1.660 59.771 58.200 -0.149 0.000 1.025 370 S CB -0.198 62.812 63.200 -0.316 0.000 0.902 370 S HN 0.347 nan 8.310 nan 0.000 0.440 371 S N 1.398 117.050 115.700 -0.081 0.000 2.368 371 S HA -0.034 4.438 4.470 0.003 0.000 0.225 371 S C 1.920 176.514 174.600 -0.011 0.000 1.030 371 S CA 1.205 59.382 58.200 -0.039 0.000 0.999 371 S CB -0.361 62.824 63.200 -0.026 0.000 0.844 371 S HN 0.399 nan 8.310 nan 0.000 0.459 372 M N 0.681 120.294 119.600 0.021 0.000 2.080 372 M HA -0.158 4.324 4.480 0.003 0.000 0.260 372 M C 2.424 178.731 176.300 0.012 0.000 1.068 372 M CA 1.508 56.838 55.300 0.049 0.000 1.109 372 M CB -0.371 32.288 32.600 0.099 0.000 1.342 372 M HN 0.222 nan 8.290 nan 0.000 0.405 373 R N 1.002 121.496 120.500 -0.011 0.000 2.070 373 R HA -0.147 4.194 4.340 0.003 0.000 0.233 373 R C 2.043 178.334 176.300 -0.016 0.000 1.137 373 R CA 1.533 57.621 56.100 -0.021 0.000 0.945 373 R CB -0.458 29.817 30.300 -0.043 0.000 0.845 373 R HN 0.344 nan 8.270 nan 0.000 0.430 374 L N 0.812 122.024 121.223 -0.018 0.000 1.990 374 L HA -0.262 4.080 4.340 0.003 0.000 0.213 374 L C 2.615 179.472 176.870 -0.023 0.000 1.072 374 L CA 1.509 56.338 54.840 -0.017 0.000 0.755 374 L CB -0.496 41.551 42.059 -0.020 0.000 0.889 374 L HN 0.311 nan 8.230 nan 0.000 0.432 375 L N -0.796 120.413 121.223 -0.023 0.000 2.027 375 L HA -0.124 4.218 4.340 0.003 0.000 0.206 375 L C 2.693 179.550 176.870 -0.022 0.000 1.074 375 L CA 1.363 56.186 54.840 -0.029 0.000 0.745 375 L CB -1.100 40.940 42.059 -0.032 0.000 0.898 375 L HN 0.332 nan 8.230 nan 0.000 0.433 376 G N -0.319 108.475 108.800 -0.010 0.000 2.440 376 G HA2 -0.272 3.690 3.960 0.003 0.000 0.218 376 G HA3 -0.272 3.690 3.960 0.003 0.000 0.218 376 G C 1.756 176.648 174.900 -0.012 0.000 1.154 376 G CA 0.651 45.748 45.100 -0.005 0.000 0.767 376 G HN 0.263 nan 8.290 nan 0.000 0.552 377 R N 0.253 120.744 120.500 -0.014 0.000 2.090 377 R HA 0.182 4.523 4.340 0.003 0.000 0.228 377 R C 3.043 179.329 176.300 -0.023 0.000 1.110 377 R CA 0.972 57.062 56.100 -0.016 0.000 0.973 377 R CB -0.294 29.998 30.300 -0.012 0.000 0.869 377 R HN 0.336 nan 8.270 nan 0.000 0.440 378 A N 0.893 123.696 122.820 -0.028 0.000 1.908 378 A HA -0.198 4.123 4.320 0.003 0.000 0.218 378 A C 2.140 179.698 177.584 -0.044 0.000 1.181 378 A CA 1.487 53.501 52.037 -0.038 0.000 0.627 378 A CB -0.422 18.550 19.000 -0.047 0.000 0.818 378 A HN 0.196 nan 8.150 nan 0.000 0.445 379 M N -1.068 118.508 119.600 -0.040 0.000 2.132 379 M HA -0.115 4.366 4.480 0.003 0.000 0.263 379 M C 2.281 178.546 176.300 -0.057 0.000 1.065 379 M CA 1.872 57.144 55.300 -0.046 0.000 1.122 379 M CB -0.779 31.802 32.600 -0.031 0.000 1.365 379 M HN 0.441 nan 8.290 nan 0.000 0.411 380 T N 0.876 115.406 114.554 -0.040 0.000 2.652 380 T HA -0.130 4.221 4.350 0.003 0.000 0.267 380 T C 1.573 176.246 174.700 -0.046 0.000 1.039 380 T CA 1.608 63.685 62.100 -0.038 0.000 1.153 380 T CB -0.415 68.440 68.868 -0.022 0.000 0.863 380 T HN 0.323 nan 8.240 nan 0.000 0.428 381 N N 1.106 119.782 118.700 -0.040 0.000 2.142 381 N HA -0.013 4.729 4.740 0.003 0.000 0.186 381 N C 1.717 177.197 175.510 -0.050 0.000 1.023 381 N CA 0.560 53.588 53.050 -0.037 0.000 0.852 381 N CB -0.728 37.742 38.487 -0.028 0.000 0.998 381 N HN 0.183 nan 8.380 nan 0.000 0.424 382 L N 0.979 122.163 121.223 -0.065 0.000 2.042 382 L HA -0.069 4.272 4.340 0.003 0.000 0.210 382 L C 2.010 178.802 176.870 -0.130 0.000 1.076 382 L CA 1.631 56.419 54.840 -0.086 0.000 0.749 382 L CB -0.931 41.072 42.059 -0.094 0.000 0.893 382 L HN 0.151 nan 8.230 nan 0.000 0.432 383 A N -1.022 121.705 122.820 -0.155 0.000 1.873 383 A HA -0.173 4.149 4.320 0.003 0.000 0.215 383 A C 2.193 179.713 177.584 -0.106 0.000 1.186 383 A CA 1.701 53.628 52.037 -0.183 0.000 0.616 383 A CB -0.543 18.358 19.000 -0.165 0.000 0.823 383 A HN 0.584 nan 8.150 nan 0.000 0.442 384 E N -0.754 119.403 120.200 -0.071 0.000 2.112 384 E HA -0.047 4.304 4.350 0.003 0.000 0.190 384 E C 1.832 178.413 176.600 -0.033 0.000 0.979 384 E CA 0.685 57.058 56.400 -0.045 0.000 0.814 384 E CB -0.033 29.646 29.700 -0.034 0.000 0.762 384 E HN 0.485 nan 8.360 nan 0.000 0.460 385 R N -0.817 119.665 120.500 -0.030 0.000 2.362 385 R HA 0.203 4.545 4.340 0.003 0.000 0.227 385 R C 1.252 177.548 176.300 -0.006 0.000 0.905 385 R CA -0.025 56.065 56.100 -0.016 0.000 1.067 385 R CB 0.542 30.834 30.300 -0.013 0.000 1.078 385 R HN 0.165 nan 8.270 nan 0.000 0.516 386 C N -1.827 117.467 119.300 -0.010 0.000 3.154 386 C HA 0.126 4.588 4.460 0.003 0.000 0.284 386 C C 2.271 177.282 174.990 0.035 0.000 2.328 386 C CA -0.083 58.945 59.018 0.016 0.000 1.586 386 C CB -0.090 27.659 27.740 0.015 0.000 1.551 386 C HN 0.112 nan 8.230 nan 0.000 0.693 387 V N 2.438 122.353 119.914 0.001 0.000 2.282 387 V HA -0.197 3.925 4.120 0.003 0.000 0.249 387 V C 2.036 178.143 176.094 0.021 0.000 1.057 387 V CA 2.869 65.191 62.300 0.036 0.000 1.032 387 V CB -0.763 30.958 31.823 -0.170 0.000 0.645 387 V HN 0.582 nan 8.190 nan 0.000 0.447 388 D N 0.496 120.878 120.400 -0.030 0.000 2.221 388 D HA -0.096 4.545 4.640 0.003 0.000 0.204 388 D C 1.888 178.179 176.300 -0.014 0.000 0.982 388 D CA 1.584 55.562 54.000 -0.036 0.000 0.857 388 D CB -0.272 40.503 40.800 -0.041 0.000 0.934 388 D HN 0.540 nan 8.370 nan 0.000 0.475 389 G N -0.474 108.335 108.800 0.014 0.000 3.393 389 G HA2 0.200 4.162 3.960 0.003 0.000 0.255 389 G HA3 0.200 4.162 3.960 0.003 0.000 0.255 389 G C 0.539 175.480 174.900 0.068 0.000 1.097 389 G CA -0.364 44.754 45.100 0.029 0.000 0.780 389 G HN 0.143 nan 8.290 nan 0.000 0.540 390 I N 1.385 122.017 120.570 0.104 0.000 2.618 390 I HA 0.091 4.263 4.170 0.003 0.000 0.284 390 I C 0.076 176.332 176.117 0.231 0.000 1.146 390 I CA 0.348 61.753 61.300 0.175 0.000 1.425 390 I CB 0.823 38.983 38.000 0.267 0.000 1.383 390 I HN 0.139 nan 8.210 nan 0.000 0.562 391 E N 4.830 125.121 120.200 0.152 0.000 2.191 391 E HA 0.616 4.967 4.350 0.003 0.000 0.274 391 E C -0.692 175.870 176.600 -0.065 0.000 0.948 391 E CA -0.925 55.543 56.400 0.113 0.000 0.802 391 E CB 1.846 31.582 29.700 0.060 0.000 1.137 391 E HN 0.677 nan 8.360 nan 0.000 0.397 392 A N 3.187 125.864 122.820 -0.237 0.000 2.289 392 A HA 0.250 4.572 4.320 0.003 0.000 0.298 392 A C -0.351 177.126 177.584 -0.178 0.000 1.208 392 A CA -0.807 50.973 52.037 -0.429 0.000 0.845 392 A CB 0.252 18.789 19.000 -0.771 0.000 1.125 392 A HN 0.560 nan 8.150 nan 0.000 0.517 393 N N 3.193 121.815 118.700 -0.130 0.000 2.605 393 N HA 0.116 4.858 4.740 0.003 0.000 0.258 393 N C 1.234 176.698 175.510 -0.076 0.000 1.156 393 N CA -0.073 52.934 53.050 -0.071 0.000 1.008 393 N CB 1.221 39.682 38.487 -0.044 0.000 1.354 393 N HN 0.398 nan 8.380 nan 0.000 0.509 394 V N 1.200 121.073 119.914 -0.069 0.000 2.407 394 V HA -0.230 3.891 4.120 0.003 0.000 0.248 394 V C 2.312 178.383 176.094 -0.038 0.000 1.055 394 V CA 1.606 63.870 62.300 -0.061 0.000 1.049 394 V CB -0.313 31.488 31.823 -0.037 0.000 0.662 394 V HN 0.622 nan 8.190 nan 0.000 0.455 395 E N 0.390 120.574 120.200 -0.027 0.000 2.072 395 E HA -0.255 4.096 4.350 0.003 0.000 0.191 395 E C 2.462 179.051 176.600 -0.019 0.000 0.985 395 E CA 1.262 57.651 56.400 -0.018 0.000 0.801 395 E CB -0.092 29.601 29.700 -0.012 0.000 0.750 395 E HN 0.482 nan 8.360 nan 0.000 0.452 396 R N -0.157 120.329 120.500 -0.022 0.000 2.092 396 R HA -0.113 4.228 4.340 0.003 0.000 0.231 396 R C 2.406 178.693 176.300 -0.022 0.000 1.119 396 R CA 1.525 57.613 56.100 -0.019 0.000 0.970 396 R CB -0.372 29.917 30.300 -0.017 0.000 0.864 396 R HN 0.311 nan 8.270 nan 0.000 0.440 397 C N -0.011 119.269 119.300 -0.034 0.000 2.413 397 C HA -0.099 4.363 4.460 0.003 0.000 0.276 397 C C 2.744 177.720 174.990 -0.023 0.000 1.236 397 C CA 1.052 60.050 59.018 -0.035 0.000 1.735 397 C CB -0.994 26.711 27.740 -0.058 0.000 2.031 397 C HN 0.553 nan 8.230 nan 0.000 0.474 398 R N 1.106 121.593 120.500 -0.021 0.000 2.083 398 R HA -0.142 4.200 4.340 0.003 0.000 0.237 398 R C 2.243 178.537 176.300 -0.010 0.000 1.137 398 R CA 1.905 57.997 56.100 -0.014 0.000 0.951 398 R CB -0.478 29.815 30.300 -0.012 0.000 0.851 398 R HN 0.466 nan 8.270 nan 0.000 0.434 399 A N 0.279 123.093 122.820 -0.010 0.000 1.908 399 A HA -0.093 4.228 4.320 0.003 0.000 0.218 399 A C 2.382 179.963 177.584 -0.006 0.000 1.181 399 A CA 1.775 53.808 52.037 -0.007 0.000 0.627 399 A CB -1.368 17.628 19.000 -0.007 0.000 0.818 399 A HN 0.621 nan 8.150 nan 0.000 0.445 400 G N -0.460 108.336 108.800 -0.007 0.000 2.476 400 G HA2 -0.065 3.897 3.960 0.003 0.000 0.218 400 G HA3 -0.065 3.897 3.960 0.003 0.000 0.218 400 G C 1.752 176.648 174.900 -0.005 0.000 1.164 400 G CA 1.636 46.732 45.100 -0.006 0.000 0.768 400 G HN 0.858 nan 8.290 nan 0.000 0.560 401 A N 0.509 123.325 122.820 -0.006 0.000 1.930 401 A HA 0.062 4.383 4.320 0.003 0.000 0.217 401 A C 2.158 179.739 177.584 -0.004 0.000 1.175 401 A CA 1.789 53.822 52.037 -0.005 0.000 0.627 401 A CB -0.281 18.715 19.000 -0.006 0.000 0.815 401 A HN 0.457 nan 8.150 nan 0.000 0.443 402 E N -0.755 119.442 120.200 -0.004 0.000 2.285 402 E HA -0.032 4.320 4.350 0.003 0.000 0.194 402 E C 1.962 178.560 176.600 -0.003 0.000 0.997 402 E CA 0.826 57.224 56.400 -0.003 0.000 0.845 402 E CB -0.050 29.648 29.700 -0.003 0.000 0.782 402 E HN 0.774 nan 8.360 nan 0.000 0.491 403 E N 1.134 121.332 120.200 -0.003 0.000 2.502 403 E HA 0.018 4.369 4.350 0.003 0.000 0.194 403 E C 0.869 177.467 176.600 -0.002 0.000 1.062 403 E CA 0.195 56.594 56.400 -0.002 0.000 0.867 403 E CB 0.012 29.711 29.700 -0.002 0.000 0.888 403 E HN 0.031 nan 8.360 nan 0.000 0.510 404 S N -0.260 115.439 115.700 -0.003 0.000 2.498 404 S HA 0.203 4.674 4.470 0.003 0.000 0.281 404 S C 1.102 175.700 174.600 -0.002 0.000 1.265 404 S CA -0.307 57.891 58.200 -0.003 0.000 1.071 404 S CB -0.081 63.117 63.200 -0.003 0.000 0.894 404 S HN 0.367 nan 8.310 nan 0.000 0.491 405 I N 5.113 125.681 120.570 -0.002 0.000 2.614 405 I HA -0.138 4.034 4.170 0.003 0.000 0.258 405 I C 2.540 178.655 176.117 -0.002 0.000 1.189 405 I CA 1.275 62.574 61.300 -0.002 0.000 1.462 405 I CB -0.366 37.633 38.000 -0.002 0.000 1.092 405 I HN 0.839 nan 8.210 nan 0.000 0.442 406 S N 0.647 116.346 115.700 -0.003 0.000 2.440 406 S HA -0.164 4.308 4.470 0.003 0.000 0.238 406 S C 1.971 176.570 174.600 -0.003 0.000 1.010 406 S CA 0.914 59.112 58.200 -0.003 0.000 0.972 406 S CB -0.782 62.416 63.200 -0.004 0.000 0.774 406 S HN 0.489 nan 8.310 nan 0.000 0.501 407 L N 0.970 122.191 121.223 -0.003 0.000 2.191 407 L HA -0.081 4.260 4.340 0.003 0.000 0.212 407 L C 3.161 180.030 176.870 -0.002 0.000 1.103 407 L CA 1.046 55.884 54.840 -0.002 0.000 0.769 407 L CB -0.962 41.096 42.059 -0.002 0.000 0.908 407 L HN 0.516 nan 8.230 nan 0.000 0.438 408 A N -0.245 122.574 122.820 -0.002 0.000 1.940 408 A HA -0.226 4.096 4.320 0.003 0.000 0.219 408 A C 2.327 179.910 177.584 -0.002 0.000 1.176 408 A CA 2.344 54.380 52.037 -0.002 0.000 0.631 408 A CB -0.846 18.154 19.000 -0.002 0.000 0.814 408 A HN 0.381 nan 8.150 nan 0.000 0.446 409 T N 0.334 114.887 114.554 -0.002 0.000 2.759 409 T HA -0.087 4.265 4.350 0.003 0.000 0.269 409 T C 2.126 176.825 174.700 -0.002 0.000 1.042 409 T CA 1.510 63.609 62.100 -0.002 0.000 1.140 409 T CB -0.427 68.440 68.868 -0.002 0.000 0.864 409 T HN 0.642 nan 8.240 nan 0.000 0.455 410 A N 1.094 123.913 122.820 -0.002 0.000 1.978 410 A HA -0.010 4.311 4.320 0.003 0.000 0.220 410 A C 1.950 179.533 177.584 -0.002 0.000 1.170 410 A CA 1.096 53.132 52.037 -0.002 0.000 0.636 410 A CB -0.584 18.415 19.000 -0.002 0.000 0.810 410 A HN 0.370 nan 8.150 nan 0.000 0.448 411 L N -0.646 120.576 121.223 -0.001 0.000 2.551 411 L HA -0.003 4.339 4.340 0.003 0.000 0.228 411 L C 2.691 179.560 176.870 -0.001 0.000 1.153 411 L CA 1.127 55.967 54.840 -0.001 0.000 0.851 411 L CB -1.156 40.902 42.059 -0.001 0.000 0.959 411 L HN 0.320 nan 8.230 nan 0.000 0.451 412 V N 0.137 120.051 119.914 -0.001 0.000 2.311 412 V HA -0.268 3.854 4.120 0.003 0.000 0.259 412 V C -0.434 175.660 176.094 -0.001 0.000 1.086 412 V CA 2.091 64.390 62.300 -0.001 0.000 1.078 412 V CB -2.133 29.689 31.823 -0.001 0.000 0.668 412 V HN 0.324 nan 8.190 nan 0.000 0.452 413 P HA 0.513 nan 4.420 nan 0.000 0.237 413 P C -0.418 176.881 177.300 -0.001 0.000 1.701 413 P CA 1.618 64.718 63.100 -0.001 0.000 0.955 413 P CB -0.266 31.433 31.700 -0.001 0.000 1.937 419 R N 0.468 120.968 120.500 -0.001 0.000 2.153 419 R HA 0.568 4.909 4.340 0.003 0.000 0.218 419 R C 2.374 178.673 176.300 -0.001 0.000 1.072 419 R CA 1.973 58.072 56.100 -0.001 0.000 0.990 419 R CB -1.494 28.805 30.300 -0.001 0.000 0.889 419 R HN 1.635 nan 8.270 nan 0.000 0.452 420 A N 1.139 123.959 122.820 -0.001 0.000 1.908 420 A HA 0.151 4.473 4.320 0.003 0.000 0.218 420 A C 2.801 180.384 177.584 -0.001 0.000 1.181 420 A CA 1.858 53.894 52.037 -0.001 0.000 0.627 420 A CB -0.874 18.125 19.000 -0.001 0.000 0.818 420 A HN 0.945 nan 8.150 nan 0.000 0.445 421 A N -0.949 121.871 122.820 -0.001 0.000 2.024 421 A HA 0.036 4.358 4.320 0.003 0.000 0.220 421 A C 2.077 179.660 177.584 -0.001 0.000 1.164 421 A CA 2.390 54.426 52.037 -0.001 0.000 0.643 421 A CB -0.893 18.106 19.000 -0.001 0.000 0.806 421 A HN 0.792 nan 8.150 nan 0.000 0.451 422 E N -0.807 119.392 120.200 -0.001 0.000 2.158 422 E HA 0.160 4.512 4.350 0.003 0.000 0.191 422 E C 2.118 178.718 176.600 -0.001 0.000 0.982 422 E CA 1.528 57.928 56.400 -0.001 0.000 0.823 422 E CB -1.404 28.296 29.700 -0.001 0.000 0.766 422 E HN 1.165 nan 8.360 nan 0.000 0.468 423 I N 1.102 121.672 120.570 -0.001 0.000 2.252 423 I HA 0.330 4.501 4.170 0.003 0.000 0.245 423 I C 3.006 179.123 176.117 -0.001 0.000 1.102 423 I CA 2.183 63.483 61.300 -0.001 0.000 1.385 423 I CB -1.480 36.519 38.000 -0.001 0.000 1.064 423 I HN 0.569 nan 8.210 nan 0.000 0.414 424 A N 0.717 123.537 122.820 -0.001 0.000 1.865 424 A HA -0.160 4.161 4.320 0.003 0.000 0.217 424 A C 2.655 180.239 177.584 -0.001 0.000 1.191 424 A CA 3.477 55.513 52.037 -0.001 0.000 0.623 424 A CB -1.213 17.786 19.000 -0.001 0.000 0.826 424 A HN 0.987 nan 8.150 nan 0.000 0.444 425 K N -1.655 118.744 120.400 -0.001 0.000 2.032 425 K HA -0.148 4.173 4.320 0.003 0.000 0.209 425 K C 2.469 179.069 176.600 -0.001 0.000 1.048 425 K CA 2.746 59.032 56.287 -0.001 0.000 0.927 425 K CB -1.750 30.750 32.500 -0.001 0.000 0.712 425 K HN 0.905 nan 8.250 nan 0.000 0.441 426 Q N -0.150 119.650 119.800 -0.001 0.000 2.050 426 Q HA 0.242 4.584 4.340 0.003 0.000 0.202 426 Q C 2.721 178.721 176.000 -0.001 0.000 0.980 426 Q CA 2.438 58.241 55.803 -0.001 0.000 0.840 426 Q CB -1.132 27.606 28.738 -0.001 0.000 0.898 426 Q HN 1.028 nan 8.270 nan 0.000 0.424 427 A N 0.343 123.162 122.820 -0.001 0.000 1.908 427 A HA 0.019 4.341 4.320 0.003 0.000 0.218 427 A C 2.392 179.975 177.584 -0.001 0.000 1.181 427 A CA 1.828 53.865 52.037 -0.001 0.000 0.627 427 A CB -0.598 18.401 19.000 -0.001 0.000 0.818 427 A HN 0.827 nan 8.150 nan 0.000 0.445 428 L N -0.207 121.015 121.223 -0.001 0.000 1.990 428 L HA -0.151 4.191 4.340 0.003 0.000 0.213 428 L C 2.637 179.507 176.870 -0.001 0.000 1.072 428 L CA 2.668 57.507 54.840 -0.001 0.000 0.755 428 L CB -0.773 41.285 42.059 -0.001 0.000 0.889 428 L HN 0.333 nan 8.230 nan 0.000 0.432 429 A N -1.237 121.583 122.820 -0.000 0.000 1.929 429 A HA -0.139 4.183 4.320 0.003 0.000 0.216 429 A C 2.464 180.048 177.584 -0.000 0.000 1.176 429 A CA 1.616 53.653 52.037 -0.000 0.000 0.628 429 A CB -1.073 17.927 19.000 -0.000 0.000 0.816 429 A HN 0.658 nan 8.150 nan 0.000 0.444 430 S N -1.112 114.588 115.700 -0.000 0.000 2.447 430 S HA 0.252 4.724 4.470 0.003 0.000 0.233 430 S C 1.563 176.163 174.600 -0.000 0.000 1.006 430 S CA 1.464 59.664 58.200 -0.000 0.000 0.957 430 S CB -0.591 62.608 63.200 -0.000 0.000 0.773 430 S HN 2.009 nan 8.310 nan 0.000 0.507 431 G N -0.906 107.894 108.800 -0.000 0.000 2.143 431 G HA2 -0.068 3.894 3.960 0.003 0.000 0.248 431 G HA3 -0.068 3.894 3.960 0.003 0.000 0.248 431 G C 0.066 174.966 174.900 -0.001 0.000 0.991 431 G CA 0.738 45.838 45.100 -0.000 0.000 0.689 431 G HN 1.269 nan 8.290 nan 0.000 0.522 432 Q N -0.565 119.234 119.800 -0.001 0.000 2.240 432 Q HA 0.877 5.219 4.340 0.003 0.000 0.260 432 Q C 0.726 176.725 176.000 -0.001 0.000 1.018 432 Q CA 0.505 56.307 55.803 -0.001 0.000 0.898 432 Q CB 0.633 29.370 28.738 -0.001 0.000 1.301 432 Q HN 1.785 nan 8.270 nan 0.000 0.469 433 T N -2.147 112.406 114.554 -0.001 0.000 2.868 433 T HA 0.316 4.667 4.350 0.003 0.000 0.292 433 T C 0.973 175.672 174.700 -0.001 0.000 1.028 433 T CA 0.235 62.334 62.100 -0.001 0.000 1.059 433 T CB 0.591 69.459 68.868 -0.002 0.000 0.991 433 T HN 0.682 nan 8.240 nan 0.000 0.531 434 V N 1.574 121.488 119.914 -0.001 0.000 3.217 434 V HA -0.007 4.115 4.120 0.003 0.000 0.264 434 V C 3.126 179.219 176.094 -0.001 0.000 1.135 434 V CA 1.944 64.243 62.300 -0.001 0.000 1.142 434 V CB -1.697 30.125 31.823 -0.001 0.000 0.754 434 V HN 1.008 nan 8.190 nan 0.000 0.484 435 M N -0.593 119.006 119.600 -0.001 0.000 2.236 435 M HA -0.029 4.453 4.480 0.003 0.000 0.266 435 M C 2.050 178.350 176.300 -0.001 0.000 1.070 435 M CA 1.955 57.254 55.300 -0.001 0.000 1.137 435 M CB -0.940 31.660 32.600 -0.001 0.000 1.378 435 M HN 0.440 nan 8.290 nan 0.000 0.426 436 E N -0.002 120.198 120.200 -0.001 0.000 2.107 436 E HA -0.074 4.277 4.350 0.003 0.000 0.191 436 E C 2.096 178.696 176.600 -0.001 0.000 0.982 436 E CA 1.268 57.668 56.400 -0.001 0.000 0.809 436 E CB -0.083 29.616 29.700 -0.001 0.000 0.756 436 E HN 0.555 nan 8.360 nan 0.000 0.459 437 V N 0.914 120.828 119.914 -0.001 0.000 2.591 437 V HA -0.131 3.991 4.120 0.003 0.000 0.249 437 V C 2.125 178.218 176.094 -0.001 0.000 1.053 437 V CA 1.565 63.864 62.300 -0.001 0.000 1.068 437 V CB -0.200 31.622 31.823 -0.001 0.000 0.689 437 V HN 0.274 nan 8.190 nan 0.000 0.462 438 A N -0.068 122.752 122.820 -0.001 0.000 2.066 438 A HA 0.011 4.333 4.320 0.003 0.000 0.218 438 A C 2.299 179.883 177.584 -0.001 0.000 1.157 438 A CA 1.584 53.621 52.037 -0.001 0.000 0.670 438 A CB -0.669 18.330 19.000 -0.001 0.000 0.804 438 A HN 0.529 nan 8.150 nan 0.000 0.453 439 I N -0.087 120.483 120.570 -0.001 0.000 2.163 439 I HA -0.080 4.092 4.170 0.003 0.000 0.243 439 I C 1.889 178.006 176.117 -0.000 0.000 1.085 439 I CA 1.961 63.261 61.300 -0.000 0.000 1.347 439 I CB -1.662 36.338 38.000 -0.000 0.000 1.044 439 I HN 0.397 nan 8.210 nan 0.000 0.408 440 S N 0.000 115.700 115.700 -0.000 0.000 2.498 440 S HA 0.000 4.472 4.470 0.003 0.000 0.327 440 S CA 0.000 58.200 58.200 -0.000 0.000 1.107 440 S CB 0.000 63.200 63.200 -0.000 0.000 0.593 440 S HN 0.000 nan 8.310 nan 0.000 0.517