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 1jqj_1_D DATA FIRST_RESID 1 DATA SEQUENCE MIRLYPEQLR AQLNEGLRAA YLLLGNDPLL LQESQDAVRQ VAAAQGFEEH DATA SEQUENCE HTFSIDPNTD WNAIFSLCQA MSLFASRQTL LLLLPENGPN AAINEQLLTL DATA SEQUENCE TGLLHDDLLL IVRGNKLSKA QENAAWFTAL ANRSVQVTCQ TPEQAQLPRW DATA SEQUENCE VAARAKQLNL ELDDAANQVL CYCYEGNLLA LAQALERLSL LWPDGKLTLP DATA SEQUENCE RVEQAVNDAX XXTPFHWVDA LLMGKSKRAL HILQQLRLEG SEPVILLRTL DATA SEQUENCE QRELLLLVNL KRQSAHTPLR ALFDKHRVWX XRRGMMGEAL NRLSQTQLRQ DATA SEQUENCE AVQLLTRTEL TLKQDYGQXX XAELEGLSLL LCH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.256 176.300 -0.074 0.000 1.140 1 M CA 0.000 55.241 55.300 -0.099 0.000 0.988 1 M CB 0.000 32.538 32.600 -0.104 0.000 1.302 2 I N 3.403 123.923 120.570 -0.084 0.000 2.330 2 I HA 0.463 4.633 4.170 -0.000 0.000 0.289 2 I C -0.327 175.750 176.117 -0.066 0.000 1.001 2 I CA -0.086 61.174 61.300 -0.067 0.000 1.193 2 I CB 1.432 39.397 38.000 -0.060 0.000 1.345 2 I HN 0.471 nan 8.210 nan 0.000 0.461 3 R N 5.641 126.094 120.500 -0.078 0.000 2.265 3 R HA 0.695 5.035 4.340 -0.000 0.000 0.319 3 R C -1.020 175.169 176.300 -0.185 0.000 1.006 3 R CA -0.849 55.183 56.100 -0.113 0.000 0.880 3 R CB 1.284 31.514 30.300 -0.118 0.000 1.077 3 R HN 0.328 nan 8.270 nan 0.000 0.454 4 L N 2.544 123.650 121.223 -0.194 0.000 2.303 4 L HA 0.505 4.845 4.340 -0.000 0.000 0.256 4 L C -1.240 175.480 176.870 -0.250 0.000 1.034 4 L CA -1.008 53.712 54.840 -0.200 0.000 0.832 4 L CB 1.773 43.816 42.059 -0.025 0.000 1.403 4 L HN 0.490 nan 8.230 nan 0.000 0.419 5 Y N 1.269 121.605 120.300 0.061 0.000 2.446 5 Y HA 0.288 4.838 4.550 -0.000 0.000 0.345 5 Y C -1.542 174.397 175.900 0.065 0.000 0.984 5 Y CA -1.806 56.332 58.100 0.064 0.000 1.058 5 Y CB 1.776 40.271 38.460 0.059 0.000 1.220 5 Y HN 0.524 nan 8.280 nan 0.000 0.455 6 P HA -0.305 nan 4.420 nan 0.000 0.222 6 P C 0.518 177.894 177.300 0.126 0.000 1.155 6 P CA 1.856 65.055 63.100 0.165 0.000 0.890 6 P CB 0.193 31.992 31.700 0.165 0.000 0.790 7 E N -0.577 119.704 120.200 0.135 0.000 2.320 7 E HA -0.012 4.338 4.350 -0.000 0.000 0.234 7 E C 0.607 177.263 176.600 0.093 0.000 1.290 7 E CA 0.241 56.693 56.400 0.086 0.000 1.545 7 E CB -0.387 29.348 29.700 0.058 0.000 1.379 7 E HN 0.407 nan 8.360 nan 0.000 0.437 8 Q N -0.700 119.160 119.800 0.101 0.000 1.891 8 Q HA 0.106 4.446 4.340 -0.000 0.000 0.206 8 Q C 1.384 177.425 176.000 0.068 0.000 0.710 8 Q CA -0.168 55.684 55.803 0.082 0.000 0.840 8 Q CB 0.057 28.850 28.738 0.092 0.000 1.211 8 Q HN 0.171 nan 8.270 nan 0.000 0.424 9 L N 1.913 123.181 121.223 0.075 0.000 1.943 9 L HA -0.145 4.195 4.340 -0.000 0.000 0.215 9 L C 2.086 178.982 176.870 0.043 0.000 1.074 9 L CA 2.086 56.967 54.840 0.068 0.000 0.759 9 L CB -0.360 41.732 42.059 0.056 0.000 0.888 9 L HN 0.044 nan 8.230 nan 0.000 0.433 10 R N -0.571 119.943 120.500 0.023 0.000 2.198 10 R HA -0.261 4.079 4.340 -0.000 0.000 0.258 10 R C 2.061 178.373 176.300 0.021 0.000 1.173 10 R CA 1.477 57.583 56.100 0.010 0.000 0.991 10 R CB -0.708 29.596 30.300 0.006 0.000 0.879 10 R HN 0.656 nan 8.270 nan 0.000 0.460 11 A N 0.726 123.565 122.820 0.032 0.000 1.823 11 A HA -0.101 4.219 4.320 -0.000 0.000 0.214 11 A C 1.450 179.059 177.584 0.042 0.000 1.225 11 A CA 0.782 52.839 52.037 0.033 0.000 0.604 11 A CB -0.257 18.763 19.000 0.033 0.000 0.878 11 A HN 0.164 nan 8.150 nan 0.000 0.450 12 Q N -0.550 119.282 119.800 0.052 0.000 2.425 12 Q HA 0.047 4.387 4.340 -0.000 0.000 0.213 12 Q C 0.457 176.518 176.000 0.101 0.000 0.950 12 Q CA 0.434 56.276 55.803 0.064 0.000 0.979 12 Q CB -0.042 28.732 28.738 0.060 0.000 0.997 12 Q HN 0.503 nan 8.270 nan 0.000 0.509 13 L N -1.261 120.009 121.223 0.079 0.000 3.076 13 L HA 0.220 4.560 4.340 -0.000 0.000 0.271 13 L C 1.042 177.942 176.870 0.051 0.000 1.152 13 L CA 0.548 55.433 54.840 0.075 0.000 0.996 13 L CB 0.494 42.558 42.059 0.008 0.000 1.453 13 L HN -0.073 nan 8.230 nan 0.000 0.571 14 N N -0.149 118.576 118.700 0.043 0.000 2.409 14 N HA -0.003 4.737 4.740 -0.000 0.000 0.174 14 N C 1.378 176.914 175.510 0.043 0.000 1.037 14 N CA 0.841 53.913 53.050 0.037 0.000 0.898 14 N CB 0.317 38.821 38.487 0.028 0.000 1.010 14 N HN 0.351 nan 8.380 nan 0.000 0.445 15 E N -0.649 119.579 120.200 0.046 0.000 2.150 15 E HA 0.120 4.470 4.350 -0.000 0.000 0.193 15 E C 0.234 176.865 176.600 0.051 0.000 0.985 15 E CA 0.656 57.081 56.400 0.043 0.000 0.814 15 E CB 0.121 29.844 29.700 0.038 0.000 0.752 15 E HN 0.254 nan 8.360 nan 0.000 0.466 16 G N 0.433 109.274 108.800 0.068 0.000 2.046 16 G HA2 0.187 4.147 3.960 -0.000 0.000 0.245 16 G HA3 0.187 4.147 3.960 -0.000 0.000 0.245 16 G C -1.330 173.637 174.900 0.113 0.000 1.723 16 G CA -1.120 44.029 45.100 0.081 0.000 0.909 16 G HN -0.073 nan 8.290 nan 0.000 0.737 17 L N 1.644 122.948 121.223 0.136 0.000 2.540 17 L HA 0.377 4.717 4.340 -0.000 0.000 0.276 17 L C 1.373 178.342 176.870 0.165 0.000 1.212 17 L CA 0.332 55.288 54.840 0.193 0.000 0.893 17 L CB 0.346 42.503 42.059 0.163 0.000 1.138 17 L HN 0.758 nan 8.230 nan 0.000 0.491 18 R N 2.279 122.879 120.500 0.168 0.000 2.611 18 R HA 0.551 4.891 4.340 -0.000 0.000 0.243 18 R C 0.797 177.095 176.300 -0.004 0.000 1.260 18 R CA 0.691 56.768 56.100 -0.037 0.000 1.095 18 R CB 0.277 30.384 30.300 -0.322 0.000 1.259 18 R HN 0.682 nan 8.270 nan 0.000 0.575 19 A N -0.724 122.049 122.820 -0.078 0.000 2.063 19 A HA 0.532 4.852 4.320 -0.000 0.000 0.211 19 A C 0.002 177.573 177.584 -0.022 0.000 1.177 19 A CA 0.958 52.984 52.037 -0.018 0.000 0.759 19 A CB 0.062 19.050 19.000 -0.019 0.000 0.857 19 A HN 0.573 nan 8.150 nan 0.000 0.468 20 A N -1.456 121.281 122.820 -0.138 0.000 2.594 20 A HA 0.681 5.001 4.320 -0.000 0.000 0.295 20 A C -1.768 175.640 177.584 -0.293 0.000 1.071 20 A CA -0.410 51.584 52.037 -0.072 0.000 0.685 20 A CB 0.745 19.732 19.000 -0.022 0.000 1.285 20 A HN 0.231 nan 8.150 nan 0.000 0.405 21 Y N 0.978 121.291 120.300 0.020 0.000 2.391 21 Y HA 0.576 5.126 4.550 -0.000 0.000 0.341 21 Y C -0.603 175.337 175.900 0.066 0.000 0.965 21 Y CA -0.909 57.206 58.100 0.025 0.000 1.067 21 Y CB 2.161 40.625 38.460 0.007 0.000 1.199 21 Y HN 0.422 nan 8.280 nan 0.000 0.450 22 L N 5.548 126.876 121.223 0.174 0.000 2.295 22 L HA 0.416 4.756 4.340 -0.000 0.000 0.281 22 L C -0.743 176.239 176.870 0.187 0.000 1.018 22 L CA -0.772 54.186 54.840 0.197 0.000 0.841 22 L CB 0.766 42.953 42.059 0.213 0.000 1.218 22 L HN 0.577 nan 8.230 nan 0.000 0.424 23 L N 5.033 126.359 121.223 0.172 0.000 2.288 23 L HA 0.409 4.749 4.340 -0.000 0.000 0.283 23 L C -0.641 176.308 176.870 0.133 0.000 1.072 23 L CA -0.415 54.510 54.840 0.141 0.000 0.862 23 L CB 0.665 42.791 42.059 0.112 0.000 1.245 23 L HN 0.237 nan 8.230 nan 0.000 0.432 24 L N 3.369 124.673 121.223 0.136 0.000 2.305 24 L HA 0.911 5.251 4.340 -0.000 0.000 0.284 24 L C 0.474 177.406 176.870 0.104 0.000 1.013 24 L CA -0.344 54.571 54.840 0.125 0.000 0.819 24 L CB 0.853 42.996 42.059 0.141 0.000 1.227 24 L HN 0.669 nan 8.230 nan 0.000 0.417 25 G N 2.657 111.506 108.800 0.082 0.000 2.328 25 G HA2 0.203 4.163 3.960 -0.000 0.000 0.295 25 G HA3 0.203 4.163 3.960 -0.000 0.000 0.295 25 G C -0.093 174.833 174.900 0.043 0.000 1.413 25 G CA -0.268 44.870 45.100 0.064 0.000 0.817 25 G HN 0.479 nan 8.290 nan 0.000 0.546 26 N N -0.540 118.175 118.700 0.025 0.000 2.356 26 N HA 0.060 4.800 4.740 -0.000 0.000 0.178 26 N C 0.020 175.527 175.510 -0.006 0.000 1.075 26 N CA 0.290 53.346 53.050 0.010 0.000 0.889 26 N CB 0.523 39.010 38.487 0.000 0.000 0.999 26 N HN 0.457 nan 8.380 nan 0.000 0.464 27 D N 1.951 122.344 120.400 -0.012 0.000 2.317 27 D HA 0.124 4.764 4.640 -0.000 0.000 0.252 27 D C -1.473 174.819 176.300 -0.013 0.000 1.174 27 D CA -1.754 52.224 54.000 -0.035 0.000 0.866 27 D CB 2.053 42.814 40.800 -0.065 0.000 1.127 27 D HN 0.053 nan 8.370 nan 0.000 0.467 28 P HA -0.113 nan 4.420 nan 0.000 0.220 28 P C 1.662 178.966 177.300 0.006 0.000 1.152 28 P CA 0.188 63.287 63.100 -0.002 0.000 0.812 28 P CB 0.660 32.358 31.700 -0.003 0.000 0.792 29 L N 0.098 121.320 121.223 -0.002 0.000 2.007 29 L HA -0.075 4.265 4.340 -0.000 0.000 0.205 29 L C 2.689 179.593 176.870 0.056 0.000 1.073 29 L CA 1.612 56.470 54.840 0.029 0.000 0.744 29 L CB -1.444 40.638 42.059 0.038 0.000 0.898 29 L HN -0.226 nan 8.230 nan 0.000 0.435 30 L N -0.973 120.287 121.223 0.062 0.000 2.043 30 L HA -0.295 4.045 4.340 -0.000 0.000 0.212 30 L C 2.601 179.511 176.870 0.067 0.000 1.075 30 L CA 1.537 56.430 54.840 0.089 0.000 0.752 30 L CB -0.935 41.175 42.059 0.086 0.000 0.891 30 L HN 0.367 nan 8.230 nan 0.000 0.432 31 L N -0.621 120.631 121.223 0.048 0.000 2.017 31 L HA -0.246 4.094 4.340 -0.000 0.000 0.208 31 L C 2.717 179.605 176.870 0.031 0.000 1.073 31 L CA 1.347 56.214 54.840 0.045 0.000 0.745 31 L CB -0.503 41.579 42.059 0.038 0.000 0.894 31 L HN 0.288 nan 8.230 nan 0.000 0.432 32 Q N 0.338 120.152 119.800 0.023 0.000 2.124 32 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 32 Q C 1.981 177.984 176.000 0.006 0.000 0.977 32 Q CA 1.639 57.447 55.803 0.008 0.000 0.850 32 Q CB 0.035 28.777 28.738 0.008 0.000 0.901 32 Q HN 0.439 nan 8.270 nan 0.000 0.429 33 E N -0.849 119.367 120.200 0.027 0.000 2.015 33 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 33 E C 2.133 178.737 176.600 0.006 0.000 0.991 33 E CA 1.296 57.711 56.400 0.025 0.000 0.802 33 E CB -0.140 29.595 29.700 0.058 0.000 0.759 33 E HN 0.249 nan 8.360 nan 0.000 0.447 34 S N 1.373 117.086 115.700 0.021 0.000 2.370 34 S HA -0.231 4.239 4.470 -0.000 0.000 0.226 34 S C 2.072 176.645 174.600 -0.044 0.000 1.033 34 S CA 1.676 59.878 58.200 0.002 0.000 1.011 34 S CB -0.339 62.885 63.200 0.040 0.000 0.852 34 S HN 0.394 nan 8.310 nan 0.000 0.457 35 Q N 0.493 120.272 119.800 -0.034 0.000 2.437 35 Q HA -0.112 4.228 4.340 -0.000 0.000 0.210 35 Q C 0.612 176.549 176.000 -0.106 0.000 0.972 35 Q CA 1.219 56.980 55.803 -0.070 0.000 0.903 35 Q CB -0.158 28.554 28.738 -0.043 0.000 0.967 35 Q HN 0.370 nan 8.270 nan 0.000 0.486 36 D N 1.294 121.645 120.400 -0.081 0.000 2.197 36 D HA 0.051 4.691 4.640 -0.000 0.000 0.212 36 D C 1.978 178.222 176.300 -0.093 0.000 0.963 36 D CA 1.275 55.222 54.000 -0.089 0.000 0.864 36 D CB -0.231 40.534 40.800 -0.058 0.000 1.009 36 D HN 0.349 nan 8.370 nan 0.000 0.479 37 A N 1.137 123.910 122.820 -0.078 0.000 1.903 37 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 37 A C 2.510 180.016 177.584 -0.131 0.000 1.191 37 A CA 1.902 53.890 52.037 -0.080 0.000 0.638 37 A CB -0.976 17.985 19.000 -0.064 0.000 0.823 37 A HN 0.143 nan 8.150 nan 0.000 0.451 38 V N 0.112 119.904 119.914 -0.204 0.000 2.216 38 V HA -0.305 3.815 4.120 -0.000 0.000 0.243 38 V C 2.552 178.508 176.094 -0.231 0.000 1.044 38 V CA 2.371 64.480 62.300 -0.319 0.000 0.995 38 V CB -0.934 30.601 31.823 -0.481 0.000 0.633 38 V HN 0.595 nan 8.190 nan 0.000 0.446 39 R N -0.163 120.215 120.500 -0.203 0.000 2.200 39 R HA -0.211 4.129 4.340 -0.000 0.000 0.234 39 R C 2.269 178.526 176.300 -0.072 0.000 1.127 39 R CA 1.417 57.416 56.100 -0.167 0.000 0.989 39 R CB -0.349 29.759 30.300 -0.321 0.000 0.869 39 R HN 0.675 nan 8.270 nan 0.000 0.459 40 Q N 0.991 120.746 119.800 -0.075 0.000 1.922 40 Q HA -0.114 4.226 4.340 -0.000 0.000 0.201 40 Q C 2.131 178.133 176.000 0.002 0.000 0.979 40 Q CA 1.498 57.285 55.803 -0.025 0.000 0.841 40 Q CB -0.001 28.715 28.738 -0.036 0.000 0.903 40 Q HN 0.153 nan 8.270 nan 0.000 0.431 41 V N 1.825 121.725 119.914 -0.023 0.000 2.278 41 V HA -0.372 3.748 4.120 -0.000 0.000 0.251 41 V C 2.494 178.615 176.094 0.044 0.000 1.062 41 V CA 2.156 64.457 62.300 0.001 0.000 1.038 41 V CB -1.334 30.472 31.823 -0.028 0.000 0.646 41 V HN 0.582 nan 8.190 nan 0.000 0.447 42 A N 0.017 122.841 122.820 0.007 0.000 1.841 42 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 42 A C 2.480 180.238 177.584 0.290 0.000 1.199 42 A CA 2.465 54.546 52.037 0.074 0.000 0.621 42 A CB -1.185 17.682 19.000 -0.221 0.000 0.835 42 A HN 0.698 nan 8.150 nan 0.000 0.445 43 A N -0.497 122.464 122.820 0.234 0.000 2.054 43 A HA 0.087 4.407 4.320 -0.000 0.000 0.223 43 A C 1.868 179.557 177.584 0.174 0.000 1.169 43 A CA 1.939 54.127 52.037 0.251 0.000 0.655 43 A CB -0.886 18.244 19.000 0.216 0.000 0.812 43 A HN 1.351 nan 8.150 nan 0.000 0.462 44 A N -1.343 121.562 122.820 0.141 0.000 2.929 44 A HA 0.490 4.810 4.320 -0.000 0.000 0.279 44 A C 0.610 178.261 177.584 0.112 0.000 1.418 44 A CA 0.037 52.133 52.037 0.098 0.000 1.035 44 A CB -0.337 18.704 19.000 0.067 0.000 1.047 44 A HN 0.537 nan 8.150 nan 0.000 0.609 45 Q N -1.372 118.514 119.800 0.145 0.000 1.888 45 Q HA 0.219 4.559 4.340 -0.000 0.000 0.197 45 Q C 0.725 176.722 176.000 -0.005 0.000 0.822 45 Q CA 0.349 56.222 55.803 0.116 0.000 0.909 45 Q CB 0.556 29.427 28.738 0.222 0.000 1.268 45 Q HN 1.121 nan 8.270 nan 0.000 0.388 46 G N 0.514 109.303 108.800 -0.018 0.000 2.234 46 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.235 46 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.235 46 G C -0.061 174.732 174.900 -0.178 0.000 0.997 46 G CA -0.420 44.601 45.100 -0.132 0.000 0.623 46 G HN 0.327 nan 8.290 nan 0.000 0.514 47 F N 2.423 122.382 119.950 0.014 0.000 2.679 47 F HA 0.377 4.904 4.527 -0.000 0.000 0.351 47 F C 1.666 177.391 175.800 -0.125 0.000 1.279 47 F CA 0.760 58.743 58.000 -0.028 0.000 1.227 47 F CB 0.338 39.361 39.000 0.038 0.000 1.623 47 F HN 0.486 nan 8.300 nan 0.000 0.666 48 E N 0.352 120.535 120.200 -0.030 0.000 2.472 48 E HA 0.007 4.357 4.350 -0.000 0.000 0.196 48 E C 0.269 176.729 176.600 -0.233 0.000 1.033 48 E CA -0.008 56.342 56.400 -0.083 0.000 0.886 48 E CB 0.275 29.969 29.700 -0.010 0.000 0.944 48 E HN 0.578 nan 8.360 nan 0.000 0.492 49 E N 0.723 120.756 120.200 -0.278 0.000 2.175 49 E HA 0.194 4.544 4.350 -0.000 0.000 0.278 49 E C -1.109 175.213 176.600 -0.462 0.000 0.969 49 E CA -0.665 55.587 56.400 -0.248 0.000 0.796 49 E CB 0.763 30.467 29.700 0.007 0.000 1.104 49 E HN 0.239 nan 8.360 nan 0.000 0.395 50 H N 2.430 121.414 119.070 -0.143 0.000 2.895 50 H HA 0.460 5.016 4.556 -0.000 0.000 0.373 50 H C -0.772 174.264 175.328 -0.487 0.000 1.174 50 H CA -0.639 55.318 56.048 -0.153 0.000 1.144 50 H CB 1.580 31.287 29.762 -0.092 0.000 1.793 50 H HN 0.538 nan 8.280 nan 0.000 0.551 51 H N 0.757 119.937 119.070 0.184 0.000 3.029 51 H HA 0.293 4.849 4.556 -0.000 0.000 0.358 51 H C -0.797 174.547 175.328 0.027 0.000 1.129 51 H CA -0.425 55.659 56.048 0.060 0.000 1.230 51 H CB 2.340 32.204 29.762 0.170 0.000 1.827 51 H HN 0.494 nan 8.280 nan 0.000 0.530 52 T N 3.260 117.761 114.554 -0.088 0.000 2.861 52 T HA 0.566 4.916 4.350 -0.000 0.000 0.287 52 T C -0.687 173.802 174.700 -0.351 0.000 1.003 52 T CA -0.532 61.519 62.100 -0.080 0.000 0.977 52 T CB 0.903 69.722 68.868 -0.082 0.000 0.996 52 T HN 0.203 nan 8.240 nan 0.000 0.448 53 F N 0.707 120.622 119.950 -0.058 0.000 2.588 53 F HA 0.587 5.114 4.527 -0.000 0.000 0.314 53 F C 0.370 176.082 175.800 -0.147 0.000 1.069 53 F CA -0.959 56.961 58.000 -0.132 0.000 0.931 53 F CB 2.135 40.999 39.000 -0.227 0.000 1.260 53 F HN 0.375 nan 8.300 nan 0.000 0.465 54 S N 3.218 118.929 115.700 0.018 0.000 2.442 54 S HA 0.541 5.011 4.470 -0.000 0.000 0.297 54 S C -0.629 173.907 174.600 -0.105 0.000 1.131 54 S CA -0.566 57.611 58.200 -0.038 0.000 1.092 54 S CB 0.821 63.995 63.200 -0.043 0.000 0.998 54 S HN 0.243 nan 8.310 nan 0.000 0.478 55 I N 5.335 125.842 120.570 -0.104 0.000 2.291 55 I HA 0.362 4.532 4.170 -0.000 0.000 0.292 55 I C 0.130 176.225 176.117 -0.037 0.000 1.064 55 I CA -0.338 60.883 61.300 -0.132 0.000 1.269 55 I CB -0.316 37.657 38.000 -0.046 0.000 1.418 55 I HN 0.708 nan 8.210 nan 0.000 0.485 56 D N 8.363 128.740 120.400 -0.039 0.000 3.009 56 D HA 0.444 5.084 4.640 -0.000 0.000 0.318 56 D C -2.653 173.670 176.300 0.038 0.000 1.273 56 D CA -0.991 53.013 54.000 0.006 0.000 1.001 56 D CB 0.562 41.355 40.800 -0.012 0.000 1.411 56 D HN 0.154 nan 8.370 nan 0.000 0.577 57 P HA 0.259 nan 4.420 nan 0.000 0.255 57 P C -0.377 176.949 177.300 0.044 0.000 1.427 57 P CA 0.093 63.229 63.100 0.060 0.000 0.863 57 P CB 0.021 31.749 31.700 0.047 0.000 1.444 58 N N -1.093 117.611 118.700 0.008 0.000 2.113 58 N HA 0.023 4.763 4.740 -0.000 0.000 0.223 58 N C -0.112 175.352 175.510 -0.076 0.000 1.310 58 N CA 0.174 53.216 53.050 -0.014 0.000 0.896 58 N CB 0.385 38.861 38.487 -0.019 0.000 1.097 58 N HN -0.021 nan 8.380 nan 0.000 0.507 59 T N 2.257 116.704 114.554 -0.178 0.000 2.704 59 T HA -0.106 4.244 4.350 -0.000 0.000 0.271 59 T C 0.396 174.828 174.700 -0.447 0.000 1.000 59 T CA 0.543 62.360 62.100 -0.472 0.000 1.216 59 T CB 0.243 68.477 68.868 -1.056 0.000 0.961 59 T HN 0.042 nan 8.240 nan 0.000 0.515 60 D N 2.810 123.041 120.400 -0.281 0.000 2.745 60 D HA 0.011 4.651 4.640 -0.000 0.000 0.229 60 D C 0.644 176.796 176.300 -0.246 0.000 1.088 60 D CA -0.654 53.255 54.000 -0.152 0.000 1.054 60 D CB -0.342 40.422 40.800 -0.060 0.000 1.132 60 D HN 0.658 nan 8.370 nan 0.000 0.464 61 W N 1.166 122.290 121.300 -0.294 0.000 2.285 61 W HA -0.282 4.378 4.660 -0.000 0.000 0.290 61 W C 2.111 178.257 176.519 -0.622 0.000 1.217 61 W CA 0.499 57.485 57.345 -0.599 0.000 1.207 61 W CB -0.447 28.673 29.460 -0.567 0.000 1.136 61 W HN 0.286 nan 8.180 nan 0.000 0.546 62 N N 0.387 119.065 118.700 -0.037 0.000 2.000 62 N HA -0.232 4.508 4.740 -0.000 0.000 0.198 62 N C 1.902 177.395 175.510 -0.028 0.000 1.057 62 N CA 2.303 55.386 53.050 0.056 0.000 0.858 62 N CB -1.277 37.254 38.487 0.073 0.000 1.057 62 N HN 0.153 nan 8.380 nan 0.000 0.423 63 A N 1.699 124.478 122.820 -0.069 0.000 1.915 63 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 63 A C 2.424 179.899 177.584 -0.181 0.000 1.198 63 A CA 1.686 53.683 52.037 -0.065 0.000 0.647 63 A CB -1.025 17.979 19.000 0.006 0.000 0.825 63 A HN 0.372 nan 8.150 nan 0.000 0.456 64 I N -1.765 118.512 120.570 -0.488 0.000 2.127 64 I HA -0.301 3.869 4.170 -0.000 0.000 0.241 64 I C 2.472 178.474 176.117 -0.193 0.000 1.075 64 I CA 1.831 62.729 61.300 -0.670 0.000 1.334 64 I CB -0.557 36.856 38.000 -0.978 0.000 1.040 64 I HN 0.424 nan 8.210 nan 0.000 0.405 65 F N 0.231 120.148 119.950 -0.055 0.000 2.075 65 F HA -0.274 4.253 4.527 -0.000 0.000 0.297 65 F C 3.061 178.864 175.800 0.006 0.000 1.113 65 F CA 1.251 59.255 58.000 0.007 0.000 1.218 65 F CB -0.608 38.413 39.000 0.035 0.000 0.984 65 F HN 0.046 nan 8.300 nan 0.000 0.472 66 S N 0.817 116.634 115.700 0.195 0.000 2.392 66 S HA -0.216 4.254 4.470 -0.000 0.000 0.232 66 S C 2.099 176.745 174.600 0.077 0.000 1.041 66 S CA 1.055 59.319 58.200 0.107 0.000 1.026 66 S CB -0.569 62.672 63.200 0.068 0.000 0.845 66 S HN 0.307 nan 8.310 nan 0.000 0.465 67 L N 1.425 122.678 121.223 0.050 0.000 1.989 67 L HA -0.134 4.206 4.340 -0.000 0.000 0.211 67 L C 2.530 179.463 176.870 0.105 0.000 1.071 67 L CA 2.378 57.235 54.840 0.028 0.000 0.749 67 L CB -1.768 40.268 42.059 -0.037 0.000 0.890 67 L HN 0.521 nan 8.230 nan 0.000 0.431 68 C N 0.077 119.469 119.300 0.154 0.000 2.413 68 C HA -0.167 4.293 4.460 -0.000 0.000 0.276 68 C C 2.482 177.633 174.990 0.269 0.000 1.248 68 C CA 0.339 59.503 59.018 0.243 0.000 1.742 68 C CB -1.048 26.839 27.740 0.244 0.000 2.017 68 C HN 0.577 nan 8.230 nan 0.000 0.481 69 Q N 0.666 120.554 119.800 0.146 0.000 2.515 69 Q HA 0.244 4.584 4.340 -0.000 0.000 0.212 69 Q C 0.841 176.851 176.000 0.016 0.000 0.970 69 Q CA 0.379 56.213 55.803 0.052 0.000 0.941 69 Q CB -0.461 28.299 28.738 0.037 0.000 0.998 69 Q HN 0.747 nan 8.270 nan 0.000 0.518 70 A N 0.674 123.530 122.820 0.059 0.000 2.322 70 A HA 0.555 4.875 4.320 -0.000 0.000 0.269 70 A C 0.001 177.596 177.584 0.019 0.000 1.094 70 A CA -0.237 51.819 52.037 0.033 0.000 0.807 70 A CB 0.556 19.584 19.000 0.046 0.000 1.047 70 A HN 0.218 nan 8.150 nan 0.000 0.487 71 M N 1.690 121.284 119.600 -0.011 0.000 2.311 71 M HA 0.265 4.745 4.480 -0.000 0.000 0.325 71 M C 0.202 176.478 176.300 -0.039 0.000 1.061 71 M CA -0.294 54.991 55.300 -0.026 0.000 0.957 71 M CB 1.945 34.515 32.600 -0.050 0.000 1.646 71 M HN 0.759 nan 8.290 nan 0.000 0.434 72 S N 1.915 117.595 115.700 -0.033 0.000 2.564 72 S HA 0.242 4.712 4.470 -0.000 0.000 0.278 72 S C 0.895 175.384 174.600 -0.185 0.000 1.333 72 S CA -0.428 57.726 58.200 -0.078 0.000 1.048 72 S CB 0.543 63.735 63.200 -0.014 0.000 0.900 72 S HN 0.797 nan 8.310 nan 0.000 0.505 73 L N 3.772 124.752 121.223 -0.405 0.000 2.478 73 L HA 0.182 4.522 4.340 -0.000 0.000 0.223 73 L C 0.030 176.493 176.870 -0.679 0.000 1.140 73 L CA 0.775 55.248 54.840 -0.611 0.000 0.842 73 L CB -0.102 41.418 42.059 -0.899 0.000 0.953 73 L HN 0.751 nan 8.230 nan 0.000 0.452 74 F N -1.322 118.628 119.950 0.000 0.000 2.850 74 F HA 0.377 4.904 4.527 -0.000 0.000 0.329 74 F C 1.348 177.139 175.800 -0.016 0.000 1.182 74 F CA -0.042 57.954 58.000 -0.007 0.000 1.270 74 F CB 0.102 39.098 39.000 -0.007 0.000 0.979 74 F HN -0.051 nan 8.300 nan 0.000 0.506 75 A N 0.651 123.498 122.820 0.046 0.000 2.739 75 A HA -0.293 4.027 4.320 -0.000 0.000 0.295 75 A C 0.932 178.523 177.584 0.013 0.000 1.477 75 A CA 1.018 53.065 52.037 0.018 0.000 0.931 75 A CB -2.302 16.707 19.000 0.015 0.000 0.959 75 A HN 0.533 nan 8.150 nan 0.000 0.555 76 S N 0.117 115.845 115.700 0.047 0.000 2.528 76 S HA 0.577 5.047 4.470 -0.000 0.000 0.277 76 S C 0.445 175.025 174.600 -0.033 0.000 1.297 76 S CA -0.729 57.475 58.200 0.006 0.000 1.052 76 S CB 1.015 64.251 63.200 0.060 0.000 0.917 76 S HN 0.563 nan 8.310 nan 0.000 0.492 77 R N 1.843 122.248 120.500 -0.159 0.000 2.822 77 R HA 0.261 4.601 4.340 -0.000 0.000 0.277 77 R C 0.351 176.682 176.300 0.052 0.000 1.102 77 R CA -0.369 55.613 56.100 -0.196 0.000 1.207 77 R CB 0.103 29.884 30.300 -0.864 0.000 1.139 77 R HN 0.902 nan 8.270 nan 0.000 0.557 78 Q N -0.693 119.276 119.800 0.283 0.000 2.421 78 Q HA 0.452 4.792 4.340 -0.000 0.000 0.280 78 Q C -1.301 174.919 176.000 0.367 0.000 1.085 78 Q CA -0.910 55.072 55.803 0.299 0.000 0.807 78 Q CB 2.181 31.061 28.738 0.237 0.000 1.405 78 Q HN 0.354 nan 8.270 nan 0.000 0.419 79 T N 1.579 116.298 114.554 0.274 0.000 2.895 79 T HA 0.631 4.981 4.350 -0.000 0.000 0.283 79 T C -1.464 173.407 174.700 0.285 0.000 1.014 79 T CA -0.628 61.633 62.100 0.270 0.000 1.037 79 T CB 0.981 70.115 68.868 0.444 0.000 1.006 79 T HN 0.507 nan 8.240 nan 0.000 0.468 80 L N 4.262 125.615 121.223 0.217 0.000 2.446 80 L HA 0.682 5.022 4.340 -0.000 0.000 0.268 80 L C -1.560 175.421 176.870 0.184 0.000 0.975 80 L CA -0.761 54.225 54.840 0.244 0.000 0.848 80 L CB 1.356 43.543 42.059 0.213 0.000 1.225 80 L HN 0.512 nan 8.230 nan 0.000 0.410 81 L N 5.227 126.559 121.223 0.182 0.000 2.295 81 L HA 0.653 4.993 4.340 -0.000 0.000 0.285 81 L C -1.474 175.479 176.870 0.138 0.000 1.035 81 L CA -0.150 54.762 54.840 0.120 0.000 0.806 81 L CB 1.368 43.463 42.059 0.060 0.000 1.214 81 L HN 0.566 nan 8.230 nan 0.000 0.426 82 L N 6.011 127.294 121.223 0.099 0.000 2.333 82 L HA 0.486 4.826 4.340 -0.000 0.000 0.280 82 L C -0.767 176.127 176.870 0.041 0.000 1.004 82 L CA -0.149 54.732 54.840 0.069 0.000 0.820 82 L CB 1.725 43.805 42.059 0.036 0.000 1.247 82 L HN 0.520 nan 8.230 nan 0.000 0.416 83 L N 5.185 126.423 121.223 0.024 0.000 2.270 83 L HA 0.400 4.740 4.340 -0.000 0.000 0.286 83 L C -0.031 176.840 176.870 0.001 0.000 1.059 83 L CA -0.371 54.477 54.840 0.014 0.000 0.839 83 L CB 0.426 42.488 42.059 0.004 0.000 1.221 83 L HN 0.428 nan 8.230 nan 0.000 0.431 84 L N 5.220 126.450 121.223 0.012 0.000 2.482 84 L HA 0.198 4.538 4.340 -0.000 0.000 0.273 84 L C -1.594 175.287 176.870 0.017 0.000 1.228 84 L CA -1.465 53.382 54.840 0.012 0.000 0.827 84 L CB 0.117 42.191 42.059 0.026 0.000 1.099 84 L HN 0.373 nan 8.230 nan 0.000 0.494 85 P HA 0.072 nan 4.420 nan 0.000 0.272 85 P C -0.174 177.143 177.300 0.028 0.000 1.240 85 P CA -0.386 62.728 63.100 0.023 0.000 0.791 85 P CB 0.768 32.486 31.700 0.029 0.000 0.978 86 E N 1.223 121.439 120.200 0.026 0.000 2.065 86 E HA -0.258 4.092 4.350 -0.000 0.000 0.201 86 E C 1.771 178.391 176.600 0.033 0.000 1.016 86 E CA 2.103 58.520 56.400 0.029 0.000 0.818 86 E CB -0.929 28.788 29.700 0.027 0.000 0.749 86 E HN 0.565 nan 8.360 nan 0.000 0.453 87 N N 0.293 119.013 118.700 0.033 0.000 2.080 87 N HA -0.043 4.697 4.740 -0.000 0.000 0.189 87 N C 1.132 176.666 175.510 0.041 0.000 1.036 87 N CA 1.682 54.753 53.050 0.035 0.000 0.846 87 N CB -0.329 38.177 38.487 0.032 0.000 1.015 87 N HN 0.275 nan 8.380 nan 0.000 0.423 88 G N -0.494 108.334 108.800 0.046 0.000 2.356 88 G HA2 0.138 4.098 3.960 -0.000 0.000 0.288 88 G HA3 0.138 4.098 3.960 -0.000 0.000 0.288 88 G C -3.245 171.690 174.900 0.059 0.000 1.302 88 G CA -0.736 44.400 45.100 0.060 0.000 0.887 88 G HN 0.132 nan 8.290 nan 0.000 0.521 89 P HA 0.090 nan 4.420 nan 0.000 0.265 89 P C 0.241 177.577 177.300 0.060 0.000 1.222 89 P CA 0.178 63.307 63.100 0.049 0.000 0.767 89 P CB 0.399 32.153 31.700 0.091 0.000 0.801 90 N N 2.485 121.212 118.700 0.045 0.000 2.229 90 N HA 0.060 4.800 4.740 -0.000 0.000 0.242 90 N C 1.469 177.004 175.510 0.042 0.000 1.327 90 N CA -0.103 52.974 53.050 0.045 0.000 0.896 90 N CB 0.447 38.963 38.487 0.049 0.000 1.129 90 N HN 0.319 nan 8.380 nan 0.000 0.490 91 A N 0.258 123.098 122.820 0.035 0.000 1.930 91 A HA 0.074 4.394 4.320 -0.000 0.000 0.215 91 A C 1.997 179.588 177.584 0.011 0.000 1.176 91 A CA 1.441 53.496 52.037 0.030 0.000 0.632 91 A CB -0.824 18.191 19.000 0.025 0.000 0.819 91 A HN 0.731 nan 8.150 nan 0.000 0.445 92 A N -0.084 122.737 122.820 0.001 0.000 1.930 92 A HA 0.099 4.419 4.320 -0.000 0.000 0.215 92 A C 1.887 179.416 177.584 -0.091 0.000 1.176 92 A CA 1.189 53.207 52.037 -0.032 0.000 0.632 92 A CB -0.378 18.617 19.000 -0.008 0.000 0.819 92 A HN 0.345 nan 8.150 nan 0.000 0.445 93 I N 1.371 121.914 120.570 -0.045 0.000 2.264 93 I HA -0.233 3.937 4.170 -0.000 0.000 0.248 93 I C 1.793 177.798 176.117 -0.185 0.000 1.111 93 I CA 1.114 62.364 61.300 -0.084 0.000 1.382 93 I CB -1.695 36.327 38.000 0.037 0.000 1.060 93 I HN 0.350 nan 8.210 nan 0.000 0.418 94 N N 0.816 119.472 118.700 -0.073 0.000 2.258 94 N HA -0.212 4.528 4.740 -0.000 0.000 0.187 94 N C 1.703 177.212 175.510 -0.001 0.000 1.012 94 N CA 1.199 54.264 53.050 0.026 0.000 0.870 94 N CB 0.000 38.577 38.487 0.149 0.000 0.977 94 N HN 0.436 nan 8.380 nan 0.000 0.434 95 E N 1.076 121.222 120.200 -0.090 0.000 2.001 95 E HA -0.069 4.281 4.350 -0.000 0.000 0.193 95 E C 2.107 178.589 176.600 -0.198 0.000 0.994 95 E CA 0.847 57.181 56.400 -0.111 0.000 0.815 95 E CB -0.397 29.229 29.700 -0.123 0.000 0.770 95 E HN 0.208 nan 8.360 nan 0.000 0.453 96 Q N 0.053 119.589 119.800 -0.440 0.000 2.096 96 Q HA -0.200 4.140 4.340 -0.000 0.000 0.208 96 Q C 2.281 178.072 176.000 -0.350 0.000 0.993 96 Q CA 1.070 56.484 55.803 -0.648 0.000 0.862 96 Q CB -0.618 26.863 28.738 -2.095 0.000 0.915 96 Q HN 0.198 nan 8.270 nan 0.000 0.416 97 L N 0.745 121.742 121.223 -0.376 0.000 1.990 97 L HA -0.187 4.153 4.340 -0.000 0.000 0.213 97 L C 2.319 179.243 176.870 0.090 0.000 1.072 97 L CA 1.419 56.174 54.840 -0.141 0.000 0.755 97 L CB -1.232 40.535 42.059 -0.486 0.000 0.889 97 L HN 0.282 nan 8.230 nan 0.000 0.432 98 L N -0.882 120.411 121.223 0.117 0.000 1.997 98 L HA -0.314 4.026 4.340 -0.000 0.000 0.216 98 L C 2.324 179.226 176.870 0.053 0.000 1.074 98 L CA 2.588 57.519 54.840 0.152 0.000 0.763 98 L CB -1.122 40.999 42.059 0.103 0.000 0.890 98 L HN 0.348 nan 8.230 nan 0.000 0.434 99 T N 0.902 115.436 114.554 -0.033 0.000 2.624 99 T HA -0.291 4.059 4.350 -0.000 0.000 0.268 99 T C 1.951 176.567 174.700 -0.141 0.000 1.041 99 T CA 2.119 64.121 62.100 -0.164 0.000 1.159 99 T CB -0.482 68.165 68.868 -0.369 0.000 0.863 99 T HN 0.479 nan 8.240 nan 0.000 0.434 100 L N 1.268 122.524 121.223 0.055 0.000 2.083 100 L HA -0.113 4.227 4.340 -0.000 0.000 0.209 100 L C 2.606 179.562 176.870 0.143 0.000 1.083 100 L CA 1.956 56.923 54.840 0.211 0.000 0.752 100 L CB -0.848 41.497 42.059 0.477 0.000 0.899 100 L HN 0.421 nan 8.230 nan 0.000 0.433 101 T N -3.533 111.111 114.554 0.151 0.000 3.139 101 T HA -0.031 4.319 4.350 -0.000 0.000 0.267 101 T C 1.465 176.209 174.700 0.074 0.000 1.164 101 T CA 0.777 62.961 62.100 0.140 0.000 1.075 101 T CB -0.554 68.427 68.868 0.187 0.000 0.904 101 T HN 0.513 nan 8.240 nan 0.000 0.540 102 G N 0.472 109.298 108.800 0.042 0.000 2.850 102 G HA2 0.303 4.263 3.960 -0.000 0.000 0.211 102 G HA3 0.303 4.263 3.960 -0.000 0.000 0.211 102 G C 1.215 176.125 174.900 0.015 0.000 1.124 102 G CA -0.287 44.819 45.100 0.011 0.000 0.769 102 G HN 0.534 nan 8.290 nan 0.000 0.535 103 L N 0.993 122.232 121.223 0.027 0.000 2.592 103 L HA 0.335 4.674 4.340 -0.000 0.000 0.227 103 L C 0.565 177.516 176.870 0.136 0.000 1.127 103 L CA -0.079 54.802 54.840 0.067 0.000 0.884 103 L CB -0.024 42.068 42.059 0.056 0.000 1.065 103 L HN 0.078 nan 8.230 nan 0.000 0.457 104 L N 2.807 124.087 121.223 0.095 0.000 2.574 104 L HA -0.023 4.317 4.340 -0.000 0.000 0.281 104 L C 1.451 178.360 176.870 0.065 0.000 1.212 104 L CA -0.120 54.754 54.840 0.057 0.000 1.082 104 L CB -0.694 41.394 42.059 0.049 0.000 1.362 104 L HN 0.348 nan 8.230 nan 0.000 0.451 105 H N 0.718 119.832 119.070 0.074 0.000 2.849 105 H HA 0.131 4.687 4.556 -0.000 0.000 0.178 105 H C 0.294 175.672 175.328 0.084 0.000 1.509 105 H CA -0.271 55.816 56.048 0.064 0.000 1.586 105 H CB 0.711 30.505 29.762 0.053 0.000 1.446 105 H HN 0.392 nan 8.280 nan 0.000 0.793 106 D N -0.499 120.036 120.400 0.225 0.000 2.615 106 D HA -0.057 4.583 4.640 -0.000 0.000 0.259 106 D C 0.010 176.393 176.300 0.138 0.000 0.999 106 D CA 0.045 54.135 54.000 0.150 0.000 0.938 106 D CB 0.198 41.097 40.800 0.165 0.000 1.121 106 D HN 0.386 nan 8.370 nan 0.000 0.487 107 D N 1.312 121.843 120.400 0.218 0.000 2.982 107 D HA 0.107 4.747 4.640 -0.000 0.000 0.238 107 D C -0.190 176.189 176.300 0.131 0.000 1.168 107 D CA 0.090 54.171 54.000 0.135 0.000 0.947 107 D CB 0.264 41.149 40.800 0.142 0.000 1.147 107 D HN 0.083 nan 8.370 nan 0.000 0.450 108 L N 1.624 122.899 121.223 0.086 0.000 2.727 108 L HA 0.210 4.550 4.340 -0.000 0.000 0.255 108 L C -1.521 175.395 176.870 0.076 0.000 0.983 108 L CA -0.785 54.069 54.840 0.023 0.000 0.945 108 L CB 1.238 43.053 42.059 -0.406 0.000 1.242 108 L HN -0.132 nan 8.230 nan 0.000 0.449 109 L N 3.941 125.228 121.223 0.106 0.000 2.439 109 L HA 0.721 5.061 4.340 -0.000 0.000 0.261 109 L C -0.998 175.898 176.870 0.043 0.000 1.153 109 L CA -0.010 54.814 54.840 -0.027 0.000 0.808 109 L CB 1.543 43.391 42.059 -0.352 0.000 1.126 109 L HN 0.717 nan 8.230 nan 0.000 0.460 110 L N 4.437 125.710 121.223 0.084 0.000 2.436 110 L HA 0.672 5.012 4.340 -0.000 0.000 0.268 110 L C -1.503 175.457 176.870 0.150 0.000 0.974 110 L CA -0.185 54.722 54.840 0.112 0.000 0.826 110 L CB 1.582 43.706 42.059 0.109 0.000 1.291 110 L HN 0.576 nan 8.230 nan 0.000 0.406 111 I N 4.993 125.646 120.570 0.137 0.000 2.509 111 I HA 0.596 4.766 4.170 -0.000 0.000 0.293 111 I C -1.012 175.185 176.117 0.132 0.000 1.020 111 I CA -1.085 60.306 61.300 0.151 0.000 1.088 111 I CB 2.154 40.215 38.000 0.102 0.000 1.267 111 I HN 0.250 nan 8.210 nan 0.000 0.430 112 V N 5.661 125.666 119.914 0.152 0.000 2.483 112 V HA 0.472 4.592 4.120 -0.000 0.000 0.297 112 V C -0.270 175.905 176.094 0.135 0.000 1.027 112 V CA -0.596 61.785 62.300 0.135 0.000 0.855 112 V CB 2.015 33.945 31.823 0.178 0.000 0.995 112 V HN 0.700 nan 8.190 nan 0.000 0.424 113 R N 2.928 123.487 120.500 0.097 0.000 2.445 113 R HA 0.808 5.148 4.340 -0.000 0.000 0.308 113 R C -0.031 176.317 176.300 0.080 0.000 0.961 113 R CA 0.141 56.293 56.100 0.087 0.000 0.862 113 R CB 1.907 32.243 30.300 0.060 0.000 1.144 113 R HN 0.960 nan 8.270 nan 0.000 0.447 114 G N 2.221 111.074 108.800 0.089 0.000 2.341 114 G HA2 0.086 4.046 3.960 -0.000 0.000 0.299 114 G HA3 0.086 4.046 3.960 -0.000 0.000 0.299 114 G C -1.685 173.262 174.900 0.079 0.000 1.274 114 G CA -0.965 44.182 45.100 0.079 0.000 0.853 114 G HN 0.581 nan 8.290 nan 0.000 0.493 115 N N 0.574 119.316 118.700 0.070 0.000 2.476 115 N HA 0.396 5.136 4.740 -0.000 0.000 0.275 115 N C 0.200 175.753 175.510 0.070 0.000 1.190 115 N CA -0.737 52.350 53.050 0.062 0.000 0.977 115 N CB 0.986 39.501 38.487 0.046 0.000 1.200 115 N HN 0.686 nan 8.380 nan 0.000 0.515 116 K N 1.405 121.841 120.400 0.060 0.000 2.472 116 K HA -0.149 4.171 4.320 -0.000 0.000 0.269 116 K C -0.568 176.057 176.600 0.042 0.000 1.056 116 K CA 0.234 56.553 56.287 0.053 0.000 1.158 116 K CB -0.105 32.418 32.500 0.038 0.000 0.821 116 K HN 0.495 nan 8.250 nan 0.000 0.486 117 L N 4.770 126.015 121.223 0.037 0.000 2.628 117 L HA -0.083 4.257 4.340 -0.000 0.000 0.274 117 L C 0.483 177.339 176.870 -0.023 0.000 1.209 117 L CA 0.129 54.977 54.840 0.013 0.000 0.930 117 L CB 0.156 42.173 42.059 -0.070 0.000 1.183 117 L HN 0.787 nan 8.230 nan 0.000 0.492 118 S N 4.089 119.793 115.700 0.006 0.000 3.225 118 S HA -0.115 4.355 4.470 -0.000 0.000 0.378 118 S C 1.237 175.817 174.600 -0.033 0.000 1.190 118 S CA -0.244 57.954 58.200 -0.002 0.000 1.104 118 S CB -0.050 63.159 63.200 0.016 0.000 0.795 118 S HN 0.669 nan 8.310 nan 0.000 0.517 119 K N 2.767 123.147 120.400 -0.033 0.000 2.195 119 K HA -0.349 3.971 4.320 -0.000 0.000 0.216 119 K C 1.654 178.214 176.600 -0.067 0.000 1.039 119 K CA 2.054 58.313 56.287 -0.047 0.000 0.940 119 K CB -0.966 31.518 32.500 -0.028 0.000 0.778 119 K HN 0.853 nan 8.250 nan 0.000 0.475 120 A N 0.578 123.366 122.820 -0.053 0.000 2.348 120 A HA 0.062 4.382 4.320 -0.000 0.000 0.224 120 A C 1.353 178.888 177.584 -0.082 0.000 1.227 120 A CA -0.091 51.907 52.037 -0.064 0.000 0.885 120 A CB 0.335 19.313 19.000 -0.036 0.000 0.933 120 A HN 0.133 nan 8.150 nan 0.000 0.506 121 Q N 0.573 120.323 119.800 -0.084 0.000 2.515 121 Q HA 0.002 4.342 4.340 -0.000 0.000 0.212 121 Q C 0.817 176.689 176.000 -0.214 0.000 0.970 121 Q CA 0.770 56.535 55.803 -0.063 0.000 0.941 121 Q CB -0.186 28.565 28.738 0.021 0.000 0.998 121 Q HN 0.745 nan 8.270 nan 0.000 0.518 122 E N -0.436 119.515 120.200 -0.416 0.000 2.445 122 E HA 0.044 4.394 4.350 -0.000 0.000 0.189 122 E C 0.473 176.802 176.600 -0.452 0.000 1.069 122 E CA -0.125 55.708 56.400 -0.946 0.000 0.871 122 E CB 0.259 29.379 29.700 -0.967 0.000 0.991 122 E HN 0.312 nan 8.360 nan 0.000 0.481 123 N N 0.678 119.248 118.700 -0.218 0.000 2.322 123 N HA 0.068 4.808 4.740 -0.000 0.000 0.181 123 N C 0.451 175.928 175.510 -0.055 0.000 1.088 123 N CA 0.080 53.076 53.050 -0.091 0.000 0.885 123 N CB 0.487 38.938 38.487 -0.060 0.000 1.013 123 N HN 0.040 nan 8.380 nan 0.000 0.472 124 A N 1.002 123.789 122.820 -0.054 0.000 2.577 124 A HA 0.304 4.624 4.320 -0.000 0.000 0.233 124 A C 1.607 179.177 177.584 -0.023 0.000 1.076 124 A CA 0.597 52.657 52.037 0.039 0.000 0.767 124 A CB 0.133 19.278 19.000 0.241 0.000 1.017 124 A HN 0.284 nan 8.150 nan 0.000 0.511 125 A N 2.377 125.247 122.820 0.084 0.000 1.842 125 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 125 A C 2.002 179.597 177.584 0.019 0.000 1.206 125 A CA 2.386 54.461 52.037 0.063 0.000 0.630 125 A CB -1.307 17.760 19.000 0.112 0.000 0.839 125 A HN 1.546 nan 8.150 nan 0.000 0.447 126 W N -0.675 120.662 121.300 0.062 0.000 2.304 126 W HA -0.285 4.375 4.660 -0.000 0.000 0.315 126 W C 1.858 178.426 176.519 0.081 0.000 1.233 126 W CA 1.545 58.927 57.345 0.061 0.000 1.261 126 W CB -1.591 27.911 29.460 0.071 0.000 1.150 126 W HN 0.318 nan 8.180 nan 0.000 0.494 127 F N 3.473 122.357 119.950 -1.778 0.000 2.000 127 F HA -0.299 4.228 4.527 -0.000 0.000 0.296 127 F C 3.041 178.464 175.800 -0.629 0.000 1.159 127 F CA 4.143 61.213 58.000 -1.551 0.000 1.183 127 F CB -0.923 37.299 39.000 -1.296 0.000 0.959 127 F HN -0.033 nan 8.300 nan 0.000 0.490 128 T N -0.638 113.780 114.554 -0.227 0.000 2.802 128 T HA -0.281 4.069 4.350 -0.000 0.000 0.269 128 T C 2.002 176.582 174.700 -0.199 0.000 1.062 128 T CA 1.203 63.210 62.100 -0.156 0.000 1.133 128 T CB -1.372 67.464 68.868 -0.052 0.000 0.852 128 T HN 0.401 nan 8.240 nan 0.000 0.485 129 A N 1.520 124.227 122.820 -0.188 0.000 1.933 129 A HA 0.150 4.470 4.320 -0.000 0.000 0.218 129 A C 2.372 179.866 177.584 -0.150 0.000 1.175 129 A CA 1.394 53.363 52.037 -0.114 0.000 0.628 129 A CB -0.626 18.354 19.000 -0.032 0.000 0.814 129 A HN 0.588 nan 8.150 nan 0.000 0.444 130 L N -1.717 119.354 121.223 -0.254 0.000 2.298 130 L HA 0.124 4.464 4.340 -0.000 0.000 0.209 130 L C 2.835 179.497 176.870 -0.347 0.000 1.084 130 L CA 0.554 55.237 54.840 -0.262 0.000 0.816 130 L CB -0.660 41.245 42.059 -0.257 0.000 0.967 130 L HN 0.338 nan 8.230 nan 0.000 0.460 131 A N 1.684 124.190 122.820 -0.523 0.000 2.039 131 A HA -0.317 4.003 4.320 -0.000 0.000 0.228 131 A C 1.811 179.242 177.584 -0.254 0.000 1.379 131 A CA 2.699 54.458 52.037 -0.464 0.000 0.704 131 A CB -0.872 17.922 19.000 -0.344 0.000 0.831 131 A HN 0.702 nan 8.150 nan 0.000 0.514 132 N N -2.216 116.373 118.700 -0.184 0.000 2.205 132 N HA 0.044 4.784 4.740 -0.000 0.000 0.201 132 N C 1.093 176.529 175.510 -0.123 0.000 1.128 132 N CA 0.468 53.441 53.050 -0.129 0.000 0.867 132 N CB 0.378 38.811 38.487 -0.090 0.000 0.996 132 N HN 0.730 nan 8.380 nan 0.000 0.503 133 R N 1.544 121.957 120.500 -0.144 0.000 2.700 133 R HA 0.166 4.506 4.340 -0.000 0.000 0.377 133 R C -0.562 175.639 176.300 -0.164 0.000 1.130 133 R CA -0.083 55.943 56.100 -0.123 0.000 1.055 133 R CB 0.082 30.326 30.300 -0.093 0.000 1.387 133 R HN 0.082 nan 8.270 nan 0.000 0.580 134 S N -1.472 114.101 115.700 -0.212 0.000 2.688 134 S HA 0.584 5.054 4.470 -0.000 0.000 0.275 134 S C -0.991 173.420 174.600 -0.314 0.000 1.175 134 S CA -0.746 57.277 58.200 -0.295 0.000 0.818 134 S CB 2.195 65.228 63.200 -0.279 0.000 1.157 134 S HN -0.075 nan 8.310 nan 0.000 0.482 135 V N 1.182 120.836 119.914 -0.433 0.000 2.735 135 V HA 0.646 4.766 4.120 -0.000 0.000 0.310 135 V C -0.856 175.153 176.094 -0.141 0.000 1.061 135 V CA -0.532 61.588 62.300 -0.299 0.000 0.913 135 V CB 1.682 33.282 31.823 -0.371 0.000 1.005 135 V HN 0.936 nan 8.190 nan 0.000 0.428 136 Q N 2.479 122.257 119.800 -0.037 0.000 2.325 136 Q HA 0.654 4.994 4.340 -0.000 0.000 0.270 136 Q C -1.783 174.255 176.000 0.063 0.000 1.020 136 Q CA -0.464 55.362 55.803 0.039 0.000 0.785 136 Q CB 2.147 30.913 28.738 0.046 0.000 1.259 136 Q HN 0.663 nan 8.270 nan 0.000 0.452 137 V N 2.880 122.863 119.914 0.116 0.000 2.398 137 V HA 0.367 4.487 4.120 -0.000 0.000 0.286 137 V C 0.080 176.254 176.094 0.134 0.000 1.026 137 V CA -0.663 61.709 62.300 0.121 0.000 0.868 137 V CB 1.522 33.432 31.823 0.146 0.000 0.982 137 V HN 0.745 nan 8.190 nan 0.000 0.443 138 T N 4.190 118.841 114.554 0.161 0.000 2.762 138 T HA 0.199 4.549 4.350 -0.000 0.000 0.303 138 T C 0.072 174.909 174.700 0.229 0.000 0.977 138 T CA -0.116 62.108 62.100 0.208 0.000 0.961 138 T CB -0.038 68.996 68.868 0.276 0.000 0.944 138 T HN 0.824 nan 8.240 nan 0.000 0.481 139 C N 5.203 124.593 119.300 0.150 0.000 2.328 139 C HA 0.409 4.868 4.460 -0.000 0.000 0.446 139 C C 0.617 175.648 174.990 0.068 0.000 1.090 139 C CA -1.035 58.050 59.018 0.111 0.000 1.510 139 C CB -1.599 26.195 27.740 0.091 0.000 1.543 139 C HN 0.682 nan 8.230 nan 0.000 0.533 140 Q N 0.935 120.769 119.800 0.056 0.000 2.222 140 Q HA 0.403 4.743 4.340 -0.000 0.000 0.252 140 Q C 0.196 176.168 176.000 -0.047 0.000 0.926 140 Q CA 0.281 56.091 55.803 0.011 0.000 0.899 140 Q CB 1.018 29.767 28.738 0.019 0.000 1.250 140 Q HN 0.568 nan 8.270 nan 0.000 0.441 141 T N 5.596 120.104 114.554 -0.076 0.000 2.834 141 T HA 0.268 4.618 4.350 -0.000 0.000 0.298 141 T C -2.023 172.588 174.700 -0.148 0.000 0.966 141 T CA -0.809 61.201 62.100 -0.149 0.000 1.141 141 T CB 0.414 69.195 68.868 -0.144 0.000 0.905 141 T HN 0.521 nan 8.240 nan 0.000 0.535 142 P HA 0.382 nan 4.420 nan 0.000 0.293 142 P C -0.572 176.653 177.300 -0.125 0.000 1.298 142 P CA -0.315 62.700 63.100 -0.141 0.000 0.757 142 P CB 0.722 32.334 31.700 -0.147 0.000 1.262 143 E N -2.766 117.386 120.200 -0.079 0.000 2.368 143 E HA 0.225 4.575 4.350 -0.000 0.000 0.257 143 E C 1.252 177.830 176.600 -0.037 0.000 1.022 143 E CA -0.790 55.569 56.400 -0.067 0.000 0.886 143 E CB -0.477 29.189 29.700 -0.056 0.000 1.740 143 E HN 0.276 nan 8.360 nan 0.000 0.456 144 Q N -0.051 119.730 119.800 -0.031 0.000 2.187 144 Q HA -0.403 3.937 4.340 -0.000 0.000 0.224 144 Q C 1.845 177.850 176.000 0.009 0.000 1.082 144 Q CA 3.369 59.166 55.803 -0.010 0.000 0.945 144 Q CB -0.788 27.945 28.738 -0.009 0.000 1.054 144 Q HN 0.643 nan 8.270 nan 0.000 0.475 145 A N -0.098 122.727 122.820 0.008 0.000 1.872 145 A HA -0.162 4.158 4.320 -0.000 0.000 0.214 145 A C 1.900 179.500 177.584 0.026 0.000 1.187 145 A CA 1.299 53.347 52.037 0.018 0.000 0.614 145 A CB -0.283 18.725 19.000 0.013 0.000 0.826 145 A HN 0.367 nan 8.150 nan 0.000 0.442 146 Q N -0.645 119.167 119.800 0.020 0.000 2.369 146 Q HA -0.041 4.298 4.340 -0.000 0.000 0.206 146 Q C 1.834 177.877 176.000 0.072 0.000 0.963 146 Q CA 0.680 56.504 55.803 0.036 0.000 0.894 146 Q CB -0.649 28.096 28.738 0.012 0.000 0.965 146 Q HN 0.566 nan 8.270 nan 0.000 0.475 147 L N 1.189 122.442 121.223 0.049 0.000 2.027 147 L HA -0.054 4.286 4.340 -0.000 0.000 0.206 147 L C -0.929 176.036 176.870 0.158 0.000 1.074 147 L CA 1.726 56.609 54.840 0.072 0.000 0.745 147 L CB -1.383 40.683 42.059 0.011 0.000 0.898 147 L HN 0.052 nan 8.230 nan 0.000 0.433 148 P HA -0.240 nan 4.420 nan 0.000 0.212 148 P C 1.382 178.757 177.300 0.125 0.000 1.178 148 P CA 2.226 65.393 63.100 0.112 0.000 0.915 148 P CB -0.267 31.477 31.700 0.073 0.000 0.788 149 R N -1.340 119.219 120.500 0.099 0.000 2.117 149 R HA -0.209 4.131 4.340 -0.000 0.000 0.243 149 R C 2.275 178.632 176.300 0.095 0.000 1.143 149 R CA 1.809 57.952 56.100 0.072 0.000 0.968 149 R CB -1.936 28.394 30.300 0.050 0.000 0.863 149 R HN 0.258 nan 8.270 nan 0.000 0.444 150 W N 1.397 122.688 121.300 -0.015 0.000 2.350 150 W HA -0.146 4.514 4.660 -0.000 0.000 0.289 150 W C 1.674 178.185 176.519 -0.013 0.000 1.215 150 W CA 1.622 58.957 57.345 -0.018 0.000 1.236 150 W CB 0.080 29.528 29.460 -0.021 0.000 1.130 150 W HN -0.090 nan 8.180 nan 0.000 0.541 151 V N 0.738 120.830 119.914 0.296 0.000 2.302 151 V HA -0.189 3.931 4.120 -0.000 0.000 0.243 151 V C 2.544 178.621 176.094 -0.027 0.000 1.036 151 V CA 1.857 64.254 62.300 0.161 0.000 1.020 151 V CB -1.638 30.321 31.823 0.227 0.000 0.657 151 V HN 0.257 nan 8.190 nan 0.000 0.453 152 A N 0.456 123.279 122.820 0.005 0.000 1.903 152 A HA -0.280 4.040 4.320 -0.000 0.000 0.219 152 A C 2.398 179.930 177.584 -0.086 0.000 1.191 152 A CA 2.828 54.849 52.037 -0.027 0.000 0.638 152 A CB -1.036 17.959 19.000 -0.007 0.000 0.823 152 A HN 0.603 nan 8.150 nan 0.000 0.451 153 A N -0.532 122.208 122.820 -0.133 0.000 1.829 153 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 153 A C 2.116 179.547 177.584 -0.256 0.000 1.207 153 A CA 2.495 54.418 52.037 -0.191 0.000 0.622 153 A CB -0.766 18.087 19.000 -0.245 0.000 0.846 153 A HN 0.518 nan 8.150 nan 0.000 0.447 154 R N -0.203 120.030 120.500 -0.446 0.000 2.196 154 R HA -0.259 4.081 4.340 -0.000 0.000 0.259 154 R C 2.111 178.268 176.300 -0.239 0.000 1.154 154 R CA 2.480 58.300 56.100 -0.467 0.000 0.976 154 R CB -0.892 28.959 30.300 -0.748 0.000 0.888 154 R HN 0.525 nan 8.270 nan 0.000 0.453 155 A N 0.348 123.068 122.820 -0.168 0.000 1.851 155 A HA -0.248 4.072 4.320 -0.000 0.000 0.216 155 A C 2.133 179.668 177.584 -0.082 0.000 1.195 155 A CA 1.951 53.933 52.037 -0.091 0.000 0.622 155 A CB -0.781 18.186 19.000 -0.056 0.000 0.831 155 A HN 0.489 nan 8.150 nan 0.000 0.444 156 K N 0.254 120.602 120.400 -0.086 0.000 2.059 156 K HA -0.268 4.052 4.320 -0.000 0.000 0.212 156 K C 2.060 178.618 176.600 -0.071 0.000 1.050 156 K CA 2.017 58.263 56.287 -0.069 0.000 0.927 156 K CB -0.340 32.119 32.500 -0.069 0.000 0.714 156 K HN 0.755 nan 8.250 nan 0.000 0.447 157 Q N 0.030 119.771 119.800 -0.097 0.000 2.557 157 Q HA -0.074 4.266 4.340 -0.000 0.000 0.217 157 Q C 1.175 177.133 176.000 -0.071 0.000 0.978 157 Q CA 0.611 56.362 55.803 -0.086 0.000 0.950 157 Q CB 0.071 28.742 28.738 -0.110 0.000 0.991 157 Q HN 0.402 nan 8.270 nan 0.000 0.533 158 L N 0.171 121.356 121.223 -0.064 0.000 2.966 158 L HA 0.182 4.522 4.340 -0.000 0.000 0.262 158 L C -0.436 176.418 176.870 -0.028 0.000 1.165 158 L CA -0.379 54.435 54.840 -0.044 0.000 0.978 158 L CB 0.315 42.347 42.059 -0.045 0.000 1.337 158 L HN 0.219 nan 8.230 nan 0.000 0.563 159 N N 1.043 119.724 118.700 -0.031 0.000 2.746 159 N HA -0.156 4.584 4.740 -0.000 0.000 0.250 159 N C -0.903 174.599 175.510 -0.013 0.000 1.055 159 N CA 0.605 53.643 53.050 -0.021 0.000 0.699 159 N CB -1.125 37.354 38.487 -0.014 0.000 0.919 159 N HN 0.084 nan 8.380 nan 0.000 0.548 160 L N 0.429 121.641 121.223 -0.019 0.000 2.333 160 L HA 0.345 4.685 4.340 -0.000 0.000 0.269 160 L C 1.065 177.924 176.870 -0.019 0.000 1.010 160 L CA -0.277 54.557 54.840 -0.011 0.000 0.818 160 L CB 1.333 43.388 42.059 -0.008 0.000 1.306 160 L HN 0.046 nan 8.230 nan 0.000 0.430 161 E N 2.188 122.377 120.200 -0.019 0.000 2.411 161 E HA 0.230 4.580 4.350 -0.000 0.000 0.228 161 E C -0.244 176.337 176.600 -0.033 0.000 1.169 161 E CA -0.263 56.121 56.400 -0.026 0.000 1.421 161 E CB 0.380 30.064 29.700 -0.026 0.000 1.333 161 E HN 0.380 nan 8.360 nan 0.000 0.434 162 L N 1.878 123.084 121.223 -0.028 0.000 2.615 162 L HA -0.078 4.262 4.340 -0.000 0.000 0.284 162 L C -0.194 176.661 176.870 -0.026 0.000 1.237 162 L CA 0.596 55.420 54.840 -0.026 0.000 0.905 162 L CB 0.384 42.435 42.059 -0.014 0.000 1.149 162 L HN 0.229 nan 8.230 nan 0.000 0.499 163 D N 2.705 123.087 120.400 -0.030 0.000 2.313 163 D HA 0.055 4.695 4.640 -0.000 0.000 0.247 163 D C 0.846 177.138 176.300 -0.014 0.000 1.094 163 D CA -0.468 53.516 54.000 -0.027 0.000 0.925 163 D CB 0.787 41.564 40.800 -0.037 0.000 1.188 163 D HN 0.451 nan 8.370 nan 0.000 0.430 164 D N 1.107 121.500 120.400 -0.012 0.000 2.106 164 D HA -0.255 4.385 4.640 -0.000 0.000 0.191 164 D C 1.924 178.224 176.300 -0.000 0.000 0.997 164 D CA 1.553 55.551 54.000 -0.004 0.000 0.834 164 D CB -0.347 40.449 40.800 -0.006 0.000 0.956 164 D HN 0.437 nan 8.370 nan 0.000 0.448 165 A N 1.615 124.430 122.820 -0.008 0.000 1.851 165 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 165 A C 2.434 180.018 177.584 -0.000 0.000 1.195 165 A CA 2.825 54.857 52.037 -0.009 0.000 0.622 165 A CB -1.024 17.963 19.000 -0.021 0.000 0.831 165 A HN 0.269 nan 8.150 nan 0.000 0.444 166 A N 0.014 122.832 122.820 -0.004 0.000 2.032 166 A HA -0.261 4.059 4.320 -0.000 0.000 0.221 166 A C 1.925 179.530 177.584 0.035 0.000 1.165 166 A CA 2.333 54.375 52.037 0.008 0.000 0.645 166 A CB -0.854 18.139 19.000 -0.011 0.000 0.807 166 A HN 0.679 nan 8.150 nan 0.000 0.453 167 N N -0.422 118.297 118.700 0.033 0.000 2.084 167 N HA -0.177 4.563 4.740 -0.000 0.000 0.190 167 N C 1.854 177.410 175.510 0.076 0.000 1.030 167 N CA 1.858 54.941 53.050 0.054 0.000 0.849 167 N CB -0.286 38.226 38.487 0.042 0.000 1.012 167 N HN 0.439 nan 8.380 nan 0.000 0.423 168 Q N 0.198 120.034 119.800 0.060 0.000 2.061 168 Q HA -0.094 4.246 4.340 -0.000 0.000 0.204 168 Q C 2.251 178.313 176.000 0.102 0.000 0.984 168 Q CA 1.123 56.969 55.803 0.072 0.000 0.846 168 Q CB -0.854 27.907 28.738 0.038 0.000 0.902 168 Q HN 0.305 nan 8.270 nan 0.000 0.421 169 V N 1.658 121.618 119.914 0.076 0.000 2.219 169 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 169 V C 2.565 178.762 176.094 0.171 0.000 1.053 169 V CA 1.790 64.148 62.300 0.096 0.000 1.009 169 V CB -0.823 31.035 31.823 0.058 0.000 0.636 169 V HN 0.298 nan 8.190 nan 0.000 0.445 170 L N -0.854 120.475 121.223 0.176 0.000 2.089 170 L HA -0.309 4.031 4.340 -0.000 0.000 0.213 170 L C 2.583 179.622 176.870 0.281 0.000 1.079 170 L CA 1.915 56.916 54.840 0.269 0.000 0.758 170 L CB -0.619 41.558 42.059 0.197 0.000 0.891 170 L HN 0.475 nan 8.230 nan 0.000 0.433 171 C N -1.775 117.643 119.300 0.197 0.000 2.440 171 C HA -0.210 4.250 4.460 -0.000 0.000 0.278 171 C C 2.654 177.734 174.990 0.149 0.000 1.295 171 C CA 0.399 59.514 59.018 0.161 0.000 1.738 171 C CB -0.769 27.048 27.740 0.129 0.000 1.987 171 C HN 0.523 nan 8.230 nan 0.000 0.492 172 Y N 0.959 121.282 120.300 0.037 0.000 2.242 172 Y HA -0.202 4.348 4.550 -0.000 0.000 0.291 172 Y C 2.484 178.360 175.900 -0.040 0.000 1.137 172 Y CA 2.058 60.156 58.100 -0.004 0.000 1.181 172 Y CB -0.112 38.341 38.460 -0.011 0.000 0.989 172 Y HN 0.437 nan 8.280 nan 0.000 0.527 173 C N -2.088 117.235 119.300 0.038 0.000 2.634 173 C HA 0.134 4.594 4.460 -0.000 0.000 0.268 173 C C 1.583 176.358 174.990 -0.359 0.000 1.322 173 C CA -0.117 58.783 59.018 -0.195 0.000 1.737 173 C CB -1.564 26.025 27.740 -0.251 0.000 1.976 173 C HN 0.519 nan 8.230 nan 0.000 0.547 174 Y N 0.300 120.586 120.300 -0.023 0.000 2.500 174 Y HA 0.255 4.805 4.550 -0.000 0.000 0.246 174 Y C 0.914 176.763 175.900 -0.086 0.000 1.146 174 Y CA -0.472 57.607 58.100 -0.036 0.000 1.230 174 Y CB -0.172 38.289 38.460 0.002 0.000 1.214 174 Y HN 0.225 nan 8.280 nan 0.000 0.526 175 E N 0.973 121.183 120.200 0.017 0.000 3.601 175 E HA -0.072 4.278 4.350 -0.000 0.000 0.255 175 E C 1.243 177.786 176.600 -0.095 0.000 0.855 175 E CA 1.472 57.839 56.400 -0.054 0.000 0.956 175 E CB -0.342 29.282 29.700 -0.126 0.000 0.892 175 E HN 0.696 nan 8.360 nan 0.000 0.575 176 G N 3.932 112.671 108.800 -0.103 0.000 2.258 176 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.233 176 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.233 176 G C 0.221 175.037 174.900 -0.139 0.000 1.006 176 G CA 0.091 45.111 45.100 -0.134 0.000 0.620 176 G HN 0.599 nan 8.290 nan 0.000 0.511 177 N N 1.572 120.216 118.700 -0.094 0.000 2.589 177 N HA 0.388 5.128 4.740 -0.000 0.000 0.232 177 N C 1.608 177.054 175.510 -0.107 0.000 1.015 177 N CA -0.588 52.421 53.050 -0.068 0.000 0.931 177 N CB 0.489 38.993 38.487 0.027 0.000 1.150 177 N HN 0.044 nan 8.380 nan 0.000 0.512 178 L N 2.721 123.815 121.223 -0.215 0.000 2.046 178 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 178 L C 2.123 178.935 176.870 -0.097 0.000 1.077 178 L CA 1.004 55.654 54.840 -0.317 0.000 0.747 178 L CB -1.178 40.579 42.059 -0.504 0.000 0.896 178 L HN 0.494 nan 8.230 nan 0.000 0.432 179 L N 0.453 121.647 121.223 -0.049 0.000 2.042 179 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 179 L C 2.575 179.431 176.870 -0.022 0.000 1.076 179 L CA 2.087 56.926 54.840 -0.002 0.000 0.749 179 L CB -0.772 41.293 42.059 0.009 0.000 0.893 179 L HN 0.168 nan 8.230 nan 0.000 0.432 180 A N -0.519 122.277 122.820 -0.041 0.000 1.873 180 A HA -0.147 4.173 4.320 -0.000 0.000 0.215 180 A C 2.279 179.624 177.584 -0.397 0.000 1.186 180 A CA 1.903 53.858 52.037 -0.137 0.000 0.616 180 A CB -0.939 18.108 19.000 0.079 0.000 0.823 180 A HN 0.490 nan 8.150 nan 0.000 0.442 181 L N -0.699 120.344 121.223 -0.300 0.000 2.042 181 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 181 L C 3.093 179.929 176.870 -0.056 0.000 1.076 181 L CA 1.076 55.783 54.840 -0.221 0.000 0.749 181 L CB -0.568 41.506 42.059 0.024 0.000 0.893 181 L HN 0.477 nan 8.230 nan 0.000 0.432 182 A N -0.388 122.462 122.820 0.051 0.000 1.828 182 A HA -0.260 4.060 4.320 -0.000 0.000 0.215 182 A C 2.155 179.738 177.584 -0.000 0.000 1.203 182 A CA 1.603 53.692 52.037 0.087 0.000 0.614 182 A CB -0.735 18.348 19.000 0.138 0.000 0.844 182 A HN 0.442 nan 8.150 nan 0.000 0.445 183 Q N -0.554 119.232 119.800 -0.023 0.000 2.248 183 Q HA -0.203 4.137 4.340 -0.000 0.000 0.208 183 Q C 2.353 178.322 176.000 -0.053 0.000 0.984 183 Q CA 1.243 57.029 55.803 -0.029 0.000 0.875 183 Q CB -0.478 28.247 28.738 -0.022 0.000 0.910 183 Q HN 0.697 nan 8.270 nan 0.000 0.433 184 A N 1.394 124.135 122.820 -0.132 0.000 1.841 184 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 184 A C 2.112 179.675 177.584 -0.034 0.000 1.199 184 A CA 1.260 53.214 52.037 -0.138 0.000 0.621 184 A CB -0.928 17.866 19.000 -0.345 0.000 0.835 184 A HN 0.293 nan 8.150 nan 0.000 0.445 185 L N -0.665 120.540 121.223 -0.030 0.000 1.997 185 L HA -0.300 4.040 4.340 -0.000 0.000 0.216 185 L C 2.681 179.564 176.870 0.022 0.000 1.074 185 L CA 2.111 56.957 54.840 0.010 0.000 0.763 185 L CB -0.942 41.118 42.059 0.002 0.000 0.890 185 L HN 0.529 nan 8.230 nan 0.000 0.434 186 E N -0.362 119.843 120.200 0.008 0.000 2.114 186 E HA -0.313 4.037 4.350 -0.000 0.000 0.199 186 E C 2.277 178.889 176.600 0.020 0.000 1.008 186 E CA 1.643 58.049 56.400 0.010 0.000 0.810 186 E CB -0.155 29.546 29.700 0.003 0.000 0.739 186 E HN 0.353 nan 8.360 nan 0.000 0.456 187 R N 0.472 120.985 120.500 0.022 0.000 2.061 187 R HA -0.152 4.188 4.340 -0.000 0.000 0.230 187 R C 2.373 178.710 176.300 0.061 0.000 1.140 187 R CA 1.119 57.236 56.100 0.029 0.000 0.940 187 R CB -0.217 30.101 30.300 0.030 0.000 0.839 187 R HN 0.039 nan 8.270 nan 0.000 0.429 188 L N 0.574 121.870 121.223 0.120 0.000 2.081 188 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 188 L C 2.569 179.604 176.870 0.275 0.000 1.080 188 L CA 1.867 56.866 54.840 0.264 0.000 0.754 188 L CB -0.816 41.402 42.059 0.265 0.000 0.893 188 L HN 0.247 nan 8.230 nan 0.000 0.433 189 S N -0.351 115.438 115.700 0.148 0.000 2.368 189 S HA -0.198 4.272 4.470 -0.000 0.000 0.226 189 S C 1.970 176.618 174.600 0.079 0.000 1.044 189 S CA 1.442 59.708 58.200 0.111 0.000 1.062 189 S CB -0.190 63.043 63.200 0.055 0.000 0.931 189 S HN 0.348 nan 8.310 nan 0.000 0.440 190 L N 0.877 122.114 121.223 0.023 0.000 2.156 190 L HA 0.047 4.387 4.340 -0.000 0.000 0.208 190 L C 2.274 179.073 176.870 -0.118 0.000 1.095 190 L CA 0.961 55.783 54.840 -0.031 0.000 0.770 190 L CB -0.901 41.134 42.059 -0.040 0.000 0.914 190 L HN 0.412 nan 8.230 nan 0.000 0.439 191 L N -1.803 119.301 121.223 -0.199 0.000 2.376 191 L HA -0.103 4.237 4.340 -0.000 0.000 0.219 191 L C -0.098 176.209 176.870 -0.939 0.000 1.133 191 L CA 0.754 55.230 54.840 -0.608 0.000 0.816 191 L CB -0.217 41.412 42.059 -0.717 0.000 0.933 191 L HN 0.319 nan 8.230 nan 0.000 0.449 192 W N -1.642 119.659 121.300 0.001 0.000 2.409 192 W HA 0.339 4.999 4.660 -0.000 0.000 0.285 192 W C -2.264 174.253 176.519 -0.003 0.000 1.030 192 W CA -1.209 56.136 57.345 -0.000 0.000 1.330 192 W CB 0.011 29.472 29.460 0.001 0.000 1.236 192 W HN -0.279 nan 8.180 nan 0.000 0.341 193 P HA -0.227 nan 4.420 nan 0.000 0.225 193 P C 1.651 179.012 177.300 0.103 0.000 1.148 193 P CA 1.626 64.778 63.100 0.086 0.000 0.779 193 P CB 0.366 32.092 31.700 0.043 0.000 0.780 194 D N 0.023 120.514 120.400 0.151 0.000 2.149 194 D HA -0.206 4.434 4.640 -0.000 0.000 0.194 194 D C 1.678 178.029 176.300 0.086 0.000 1.001 194 D CA 2.166 56.239 54.000 0.122 0.000 0.849 194 D CB -0.657 40.245 40.800 0.170 0.000 0.939 194 D HN 0.224 nan 8.370 nan 0.000 0.449 195 G N 0.344 109.211 108.800 0.111 0.000 2.195 195 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.246 195 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.246 195 G C 0.220 175.132 174.900 0.020 0.000 0.984 195 G CA 0.412 45.550 45.100 0.064 0.000 0.633 195 G HN 0.478 nan 8.290 nan 0.000 0.525 196 K N 1.153 121.545 120.400 -0.013 0.000 2.257 196 K HA 0.514 4.834 4.320 -0.000 0.000 0.270 196 K C 0.430 176.926 176.600 -0.173 0.000 1.098 196 K CA -0.467 55.773 56.287 -0.078 0.000 0.943 196 K CB 0.697 33.148 32.500 -0.082 0.000 1.316 196 K HN 0.238 nan 8.250 nan 0.000 0.447 197 L N 4.321 125.466 121.223 -0.130 0.000 2.404 197 L HA 0.076 4.416 4.340 -0.000 0.000 0.277 197 L C 0.903 177.681 176.870 -0.152 0.000 1.184 197 L CA -0.417 54.324 54.840 -0.165 0.000 1.013 197 L CB -0.854 41.166 42.059 -0.065 0.000 1.318 197 L HN 0.631 nan 8.230 nan 0.000 0.435 198 T N -2.108 112.317 114.554 -0.216 0.000 2.816 198 T HA 0.156 4.506 4.350 -0.000 0.000 0.282 198 T C 1.153 175.777 174.700 -0.126 0.000 0.993 198 T CA -0.814 61.192 62.100 -0.156 0.000 0.994 198 T CB 1.796 70.560 68.868 -0.174 0.000 1.025 198 T HN 0.256 nan 8.240 nan 0.000 0.529 199 L N 2.048 123.221 121.223 -0.084 0.000 1.978 199 L HA 0.062 4.402 4.340 -0.000 0.000 0.218 199 L C -0.823 176.010 176.870 -0.062 0.000 1.075 199 L CA 2.004 56.810 54.840 -0.056 0.000 0.767 199 L CB -2.036 39.996 42.059 -0.045 0.000 0.890 199 L HN 0.565 nan 8.230 nan 0.000 0.434 200 P HA -0.216 nan 4.420 nan 0.000 0.215 200 P C 1.570 178.823 177.300 -0.078 0.000 1.163 200 P CA 1.953 65.010 63.100 -0.071 0.000 0.894 200 P CB -0.183 31.464 31.700 -0.089 0.000 0.791 201 R N -0.678 119.714 120.500 -0.180 0.000 2.091 201 R HA -0.095 4.245 4.340 -0.000 0.000 0.238 201 R C 2.086 178.366 176.300 -0.033 0.000 1.136 201 R CA 1.479 57.440 56.100 -0.230 0.000 0.959 201 R CB -1.410 28.500 30.300 -0.650 0.000 0.856 201 R HN 0.184 nan 8.270 nan 0.000 0.437 202 V N 1.384 121.278 119.914 -0.032 0.000 2.323 202 V HA -0.178 3.942 4.120 -0.000 0.000 0.244 202 V C 2.249 178.386 176.094 0.071 0.000 1.041 202 V CA 1.538 63.866 62.300 0.047 0.000 1.025 202 V CB -0.484 31.363 31.823 0.040 0.000 0.656 202 V HN 0.222 nan 8.190 nan 0.000 0.451 203 E N 0.612 120.834 120.200 0.037 0.000 2.037 203 E HA -0.339 4.011 4.350 -0.000 0.000 0.214 203 E C 2.112 178.748 176.600 0.060 0.000 1.041 203 E CA 1.759 58.181 56.400 0.038 0.000 0.872 203 E CB -0.760 28.947 29.700 0.013 0.000 0.785 203 E HN 0.648 nan 8.360 nan 0.000 0.476 204 Q N 0.298 120.136 119.800 0.063 0.000 2.658 204 Q HA -0.091 4.249 4.340 -0.000 0.000 0.219 204 Q C 0.810 176.885 176.000 0.124 0.000 0.966 204 Q CA 0.769 56.627 55.803 0.090 0.000 0.988 204 Q CB -0.010 28.793 28.738 0.109 0.000 0.999 204 Q HN 0.268 nan 8.270 nan 0.000 0.591 205 A N -1.721 121.173 122.820 0.124 0.000 2.027 205 A HA 0.135 4.455 4.320 -0.000 0.000 0.196 205 A C 1.610 179.279 177.584 0.141 0.000 1.573 205 A CA 0.120 52.246 52.037 0.148 0.000 1.097 205 A CB 0.221 19.330 19.000 0.183 0.000 1.196 205 A HN 0.209 nan 8.150 nan 0.000 0.462 206 V N 2.611 122.600 119.914 0.124 0.000 2.232 206 V HA -0.253 3.867 4.120 -0.000 0.000 0.239 206 V C 2.312 178.432 176.094 0.043 0.000 1.040 206 V CA 2.309 64.665 62.300 0.093 0.000 0.996 206 V CB -1.133 30.729 31.823 0.064 0.000 0.638 206 V HN 0.859 nan 8.190 nan 0.000 0.453 207 N N -0.322 118.398 118.700 0.035 0.000 2.309 207 N HA -0.169 4.571 4.740 -0.000 0.000 0.182 207 N C 0.971 176.499 175.510 0.029 0.000 1.018 207 N CA 1.050 54.112 53.050 0.020 0.000 0.876 207 N CB -0.204 38.293 38.487 0.017 0.000 0.972 207 N HN 0.401 nan 8.380 nan 0.000 0.434 208 D N 0.707 121.135 120.400 0.048 0.000 2.504 208 D HA 0.249 4.889 4.640 -0.000 0.000 0.243 208 D C -0.203 176.129 176.300 0.054 0.000 1.203 208 D CA 0.031 54.062 54.000 0.051 0.000 0.847 208 D CB 0.287 41.127 40.800 0.067 0.000 0.973 208 D HN 0.420 nan 8.370 nan 0.000 0.490 214 P HA -0.133 nan 4.420 nan 0.000 0.221 214 P C 0.775 178.186 177.300 0.185 0.000 1.141 214 P CA 1.087 64.325 63.100 0.230 0.000 0.794 214 P CB -0.191 31.597 31.700 0.147 0.000 0.764 215 F N -1.765 118.320 119.950 0.225 0.000 2.530 215 F HA 0.083 4.610 4.527 -0.000 0.000 0.292 215 F C 2.534 178.441 175.800 0.178 0.000 1.109 215 F CA 0.491 58.593 58.000 0.170 0.000 1.450 215 F CB -1.193 37.870 39.000 0.105 0.000 1.114 215 F HN -0.047 nan 8.300 nan 0.000 0.560 216 H N -1.333 117.893 119.070 0.260 0.000 2.387 216 H HA -0.229 4.327 4.556 -0.000 0.000 0.299 216 H C 1.799 177.236 175.328 0.181 0.000 1.099 216 H CA 2.113 58.260 56.048 0.166 0.000 1.315 216 H CB -0.448 29.388 29.762 0.124 0.000 1.380 216 H HN 0.356 nan 8.280 nan 0.000 0.513 217 W N 0.911 122.285 121.300 0.124 0.000 2.322 217 W HA -0.240 4.419 4.660 -0.000 0.000 0.326 217 W C 2.177 178.692 176.519 -0.007 0.000 1.224 217 W CA 1.867 59.233 57.345 0.035 0.000 1.257 217 W CB -0.997 28.462 29.460 -0.001 0.000 1.174 217 W HN -0.042 nan 8.180 nan 0.000 0.460 218 V N 1.821 121.582 119.914 -0.256 0.000 2.287 218 V HA -0.338 3.782 4.120 -0.000 0.000 0.248 218 V C 1.962 177.915 176.094 -0.235 0.000 1.053 218 V CA 2.518 64.526 62.300 -0.487 0.000 1.027 218 V CB -1.169 30.393 31.823 -0.434 0.000 0.646 218 V HN 0.141 nan 8.190 nan 0.000 0.447 219 D N 0.048 120.393 120.400 -0.091 0.000 2.403 219 D HA -0.040 4.600 4.640 -0.000 0.000 0.227 219 D C 1.607 177.863 176.300 -0.074 0.000 0.995 219 D CA 1.319 55.279 54.000 -0.067 0.000 0.928 219 D CB 0.115 40.887 40.800 -0.047 0.000 0.887 219 D HN 0.553 nan 8.370 nan 0.000 0.529 220 A N -0.110 122.666 122.820 -0.074 0.000 2.138 220 A HA 0.183 4.503 4.320 -0.000 0.000 0.203 220 A C 1.710 179.247 177.584 -0.078 0.000 1.286 220 A CA -0.336 51.675 52.037 -0.044 0.000 0.929 220 A CB -0.109 18.907 19.000 0.026 0.000 0.975 220 A HN 0.193 nan 8.150 nan 0.000 0.480 221 L N 0.688 121.804 121.223 -0.178 0.000 2.650 221 L HA 0.227 4.567 4.340 -0.000 0.000 0.235 221 L C 0.135 176.888 176.870 -0.195 0.000 1.149 221 L CA 0.182 54.880 54.840 -0.237 0.000 0.887 221 L CB -0.221 41.505 42.059 -0.556 0.000 1.021 221 L HN 0.332 nan 8.230 nan 0.000 0.441 222 L N 0.900 122.034 121.223 -0.148 0.000 3.163 222 L HA -0.025 4.315 4.340 -0.000 0.000 0.261 222 L C 0.993 177.815 176.870 -0.080 0.000 1.313 222 L CA 0.042 54.816 54.840 -0.109 0.000 1.111 222 L CB -0.720 41.290 42.059 -0.081 0.000 1.511 222 L HN 0.512 nan 8.230 nan 0.000 0.419 223 M N -1.527 118.019 119.600 -0.089 0.000 2.907 223 M HA -0.185 4.295 4.480 -0.000 0.000 0.186 223 M C 1.129 177.396 176.300 -0.055 0.000 0.631 223 M CA 0.933 56.192 55.300 -0.069 0.000 0.700 223 M CB -1.896 30.673 32.600 -0.051 0.000 2.523 223 M HN 0.575 nan 8.290 nan 0.000 0.323 224 G N 0.977 109.746 108.800 -0.053 0.000 2.750 224 G HA2 0.219 4.179 3.960 -0.000 0.000 0.250 224 G HA3 0.219 4.179 3.960 -0.000 0.000 0.250 224 G C 0.036 174.918 174.900 -0.029 0.000 1.230 224 G CA -0.370 44.709 45.100 -0.036 0.000 0.883 224 G HN 0.245 nan 8.290 nan 0.000 0.573 225 K N 0.343 120.733 120.400 -0.017 0.000 2.365 225 K HA -0.030 4.290 4.320 -0.000 0.000 0.268 225 K C 1.797 178.394 176.600 -0.005 0.000 1.173 225 K CA 0.813 57.093 56.287 -0.011 0.000 1.204 225 K CB 0.214 32.716 32.500 0.003 0.000 0.832 225 K HN 0.520 nan 8.250 nan 0.000 0.481 226 S N 2.130 117.812 115.700 -0.029 0.000 2.500 226 S HA -0.185 4.285 4.470 -0.000 0.000 0.239 226 S C 1.194 175.804 174.600 0.016 0.000 0.989 226 S CA 0.748 58.937 58.200 -0.019 0.000 0.951 226 S CB -0.072 63.075 63.200 -0.087 0.000 0.759 226 S HN 0.437 nan 8.310 nan 0.000 0.523 227 K N 2.829 123.240 120.400 0.018 0.000 1.969 227 K HA -0.078 4.242 4.320 -0.000 0.000 0.216 227 K C 2.475 179.119 176.600 0.073 0.000 1.048 227 K CA 1.850 58.159 56.287 0.037 0.000 0.948 227 K CB -0.472 32.048 32.500 0.034 0.000 0.726 227 K HN 0.606 nan 8.250 nan 0.000 0.442 228 R N 0.692 121.240 120.500 0.080 0.000 2.115 228 R HA 0.152 4.492 4.340 -0.000 0.000 0.226 228 R C 2.289 178.674 176.300 0.141 0.000 1.100 228 R CA 1.164 57.334 56.100 0.116 0.000 0.980 228 R CB -0.708 29.626 30.300 0.057 0.000 0.875 228 R HN 0.164 nan 8.270 nan 0.000 0.445 229 A N 2.129 125.020 122.820 0.118 0.000 1.917 229 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 229 A C 2.129 179.853 177.584 0.232 0.000 1.182 229 A CA 1.371 53.515 52.037 0.178 0.000 0.633 229 A CB -0.430 18.646 19.000 0.127 0.000 0.819 229 A HN 0.287 nan 8.150 nan 0.000 0.448 230 L N -1.293 120.023 121.223 0.155 0.000 2.478 230 L HA -0.033 4.307 4.340 -0.000 0.000 0.223 230 L C 2.214 179.135 176.870 0.084 0.000 1.140 230 L CA 1.365 56.266 54.840 0.101 0.000 0.842 230 L CB -0.535 41.557 42.059 0.054 0.000 0.953 230 L HN 0.616 nan 8.230 nan 0.000 0.452 231 H N 0.258 119.336 119.070 0.014 0.000 2.276 231 H HA -0.140 4.416 4.556 -0.000 0.000 0.301 231 H C 2.168 177.478 175.328 -0.029 0.000 1.073 231 H CA 2.375 58.417 56.048 -0.009 0.000 1.311 231 H CB -0.172 29.597 29.762 0.012 0.000 1.379 231 H HN 0.319 nan 8.280 nan 0.000 0.494 232 I N 0.329 121.049 120.570 0.250 0.000 2.103 232 I HA -0.383 3.787 4.170 -0.000 0.000 0.241 232 I C 2.736 178.852 176.117 -0.003 0.000 1.036 232 I CA 1.465 62.837 61.300 0.120 0.000 1.300 232 I CB -0.653 37.438 38.000 0.152 0.000 1.010 232 I HN 0.178 nan 8.210 nan 0.000 0.406 233 L N 0.356 121.497 121.223 -0.137 0.000 2.030 233 L HA -0.332 4.008 4.340 -0.000 0.000 0.222 233 L C 2.748 179.506 176.870 -0.187 0.000 1.082 233 L CA 2.016 56.681 54.840 -0.291 0.000 0.785 233 L CB -0.903 40.946 42.059 -0.350 0.000 0.895 233 L HN 0.344 nan 8.230 nan 0.000 0.439 234 Q N -1.197 118.524 119.800 -0.133 0.000 2.045 234 Q HA -0.281 4.059 4.340 -0.000 0.000 0.206 234 Q C 2.247 178.169 176.000 -0.129 0.000 0.991 234 Q CA 1.675 57.388 55.803 -0.150 0.000 0.851 234 Q CB -0.625 28.008 28.738 -0.176 0.000 0.911 234 Q HN 0.509 nan 8.270 nan 0.000 0.418 235 Q N 0.481 120.237 119.800 -0.073 0.000 2.173 235 Q HA -0.109 4.231 4.340 -0.000 0.000 0.208 235 Q C 2.271 178.226 176.000 -0.074 0.000 0.989 235 Q CA 1.193 56.957 55.803 -0.065 0.000 0.872 235 Q CB -0.575 28.151 28.738 -0.021 0.000 0.909 235 Q HN 0.395 nan 8.270 nan 0.000 0.420 236 L N -0.430 120.740 121.223 -0.089 0.000 1.988 236 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 236 L C 2.514 179.338 176.870 -0.077 0.000 1.071 236 L CA 1.377 56.163 54.840 -0.089 0.000 0.744 236 L CB -0.514 41.461 42.059 -0.140 0.000 0.893 236 L HN 0.187 nan 8.230 nan 0.000 0.433 237 R N 0.634 121.076 120.500 -0.098 0.000 2.211 237 R HA -0.173 4.167 4.340 -0.000 0.000 0.240 237 R C 2.059 178.356 176.300 -0.006 0.000 1.144 237 R CA 1.103 57.165 56.100 -0.063 0.000 0.992 237 R CB -0.176 30.073 30.300 -0.084 0.000 0.869 237 R HN 0.397 nan 8.270 nan 0.000 0.462 238 L N -0.010 121.204 121.223 -0.014 0.000 1.993 238 L HA -0.103 4.237 4.340 -0.000 0.000 0.206 238 L C 2.113 179.010 176.870 0.046 0.000 1.074 238 L CA 1.390 56.267 54.840 0.061 0.000 0.746 238 L CB -0.741 41.321 42.059 0.005 0.000 0.896 238 L HN 0.159 nan 8.230 nan 0.000 0.435 239 E N 0.534 120.736 120.200 0.003 0.000 2.284 239 E HA -0.181 4.169 4.350 -0.000 0.000 0.200 239 E C 1.219 177.822 176.600 0.004 0.000 1.008 239 E CA 0.730 57.130 56.400 -0.001 0.000 0.829 239 E CB -0.250 29.443 29.700 -0.013 0.000 0.744 239 E HN 0.683 nan 8.360 nan 0.000 0.491 240 G N 1.591 110.394 108.800 0.006 0.000 2.142 240 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.225 240 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.225 240 G C 0.176 175.076 174.900 -0.000 0.000 1.015 240 G CA 0.296 45.399 45.100 0.005 0.000 0.716 240 G HN 0.344 nan 8.290 nan 0.000 0.508 241 S N 0.179 115.875 115.700 -0.007 0.000 2.498 241 S HA 0.469 4.939 4.470 -0.000 0.000 0.314 241 S C 0.428 175.022 174.600 -0.010 0.000 1.141 241 S CA 0.269 58.467 58.200 -0.003 0.000 1.087 241 S CB 1.434 64.631 63.200 -0.005 0.000 1.178 241 S HN 0.906 nan 8.310 nan 0.000 0.533 242 E N 4.911 125.113 120.200 0.003 0.000 3.131 242 E HA -0.084 4.266 4.350 -0.000 0.000 0.258 242 E C -1.049 175.549 176.600 -0.004 0.000 0.901 242 E CA -0.649 55.754 56.400 0.005 0.000 0.964 242 E CB 0.488 30.199 29.700 0.019 0.000 0.903 242 E HN 0.450 nan 8.360 nan 0.000 0.537 243 P HA -0.197 nan 4.420 nan 0.000 0.217 243 P C 1.293 178.595 177.300 0.002 0.000 1.150 243 P CA 0.922 64.002 63.100 -0.033 0.000 0.832 243 P CB 0.090 31.768 31.700 -0.037 0.000 0.787 244 V N 0.545 120.471 119.914 0.021 0.000 2.250 244 V HA -0.283 3.837 4.120 -0.000 0.000 0.253 244 V C 2.654 178.776 176.094 0.047 0.000 1.065 244 V CA 2.160 64.482 62.300 0.037 0.000 1.039 244 V CB -1.307 30.541 31.823 0.041 0.000 0.647 244 V HN -0.026 nan 8.190 nan 0.000 0.446 245 I N -0.691 119.909 120.570 0.050 0.000 2.208 245 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 245 I C 2.198 178.352 176.117 0.062 0.000 1.097 245 I CA 1.540 62.880 61.300 0.068 0.000 1.363 245 I CB -0.652 37.400 38.000 0.087 0.000 1.051 245 I HN 0.218 nan 8.210 nan 0.000 0.413 246 L N -0.917 120.342 121.223 0.061 0.000 2.046 246 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 246 L C 2.466 179.484 176.870 0.247 0.000 1.077 246 L CA 1.184 56.106 54.840 0.136 0.000 0.747 246 L CB -0.591 41.441 42.059 -0.045 0.000 0.896 246 L HN 0.228 nan 8.230 nan 0.000 0.432 247 L N -0.693 120.614 121.223 0.140 0.000 1.976 247 L HA -0.224 4.116 4.340 -0.000 0.000 0.209 247 L C 2.857 179.769 176.870 0.070 0.000 1.071 247 L CA 1.448 56.363 54.840 0.125 0.000 0.746 247 L CB -0.563 41.541 42.059 0.075 0.000 0.890 247 L HN 0.167 nan 8.230 nan 0.000 0.432 248 R N -0.558 119.971 120.500 0.048 0.000 2.083 248 R HA -0.149 4.191 4.340 -0.000 0.000 0.237 248 R C 2.303 178.595 176.300 -0.014 0.000 1.137 248 R CA 1.993 58.109 56.100 0.027 0.000 0.951 248 R CB -0.776 29.552 30.300 0.046 0.000 0.851 248 R HN 0.326 nan 8.270 nan 0.000 0.434 249 T N 1.462 115.976 114.554 -0.065 0.000 2.721 249 T HA -0.177 4.173 4.350 -0.000 0.000 0.268 249 T C 1.629 176.162 174.700 -0.278 0.000 1.038 249 T CA 1.416 63.340 62.100 -0.293 0.000 1.145 249 T CB -0.171 68.305 68.868 -0.653 0.000 0.858 249 T HN 0.096 nan 8.240 nan 0.000 0.459 250 L N 0.570 121.680 121.223 -0.187 0.000 2.127 250 L HA 0.146 4.486 4.340 -0.000 0.000 0.203 250 L C 2.542 179.332 176.870 -0.135 0.000 1.080 250 L CA 1.551 56.246 54.840 -0.243 0.000 0.768 250 L CB -0.831 41.038 42.059 -0.317 0.000 0.924 250 L HN 0.216 nan 8.230 nan 0.000 0.444 251 Q N -0.088 119.672 119.800 -0.067 0.000 1.998 251 Q HA -0.309 4.031 4.340 -0.000 0.000 0.209 251 Q C 2.280 178.259 176.000 -0.035 0.000 1.002 251 Q CA 2.670 58.451 55.803 -0.036 0.000 0.858 251 Q CB -0.257 28.477 28.738 -0.008 0.000 0.932 251 Q HN 0.476 nan 8.270 nan 0.000 0.416 252 R N -0.201 120.286 120.500 -0.021 0.000 2.117 252 R HA -0.163 4.177 4.340 -0.000 0.000 0.243 252 R C 2.143 178.435 176.300 -0.012 0.000 1.143 252 R CA 1.514 57.611 56.100 -0.004 0.000 0.968 252 R CB -0.193 30.125 30.300 0.031 0.000 0.863 252 R HN 0.393 nan 8.270 nan 0.000 0.444 253 E N 0.547 120.724 120.200 -0.038 0.000 2.216 253 E HA -0.105 4.245 4.350 -0.000 0.000 0.192 253 E C 1.898 178.466 176.600 -0.054 0.000 0.988 253 E CA 0.553 56.927 56.400 -0.043 0.000 0.834 253 E CB -0.161 29.485 29.700 -0.091 0.000 0.772 253 E HN 0.172 nan 8.360 nan 0.000 0.479 254 L N 0.427 121.609 121.223 -0.068 0.000 2.095 254 L HA 0.010 4.350 4.340 -0.000 0.000 0.204 254 L C 2.020 178.868 176.870 -0.036 0.000 1.080 254 L CA 1.205 56.009 54.840 -0.060 0.000 0.759 254 L CB -0.471 41.549 42.059 -0.065 0.000 0.914 254 L HN 0.027 nan 8.230 nan 0.000 0.439 255 L N -0.788 120.416 121.223 -0.032 0.000 2.450 255 L HA -0.177 4.163 4.340 -0.000 0.000 0.224 255 L C 2.198 179.051 176.870 -0.028 0.000 1.149 255 L CA 0.511 55.334 54.840 -0.028 0.000 0.816 255 L CB -0.414 41.628 42.059 -0.029 0.000 0.932 255 L HN 0.376 nan 8.230 nan 0.000 0.449 256 L N -0.733 120.480 121.223 -0.017 0.000 2.145 256 L HA -0.044 4.296 4.340 -0.000 0.000 0.201 256 L C 2.155 179.034 176.870 0.014 0.000 1.075 256 L CA 1.342 56.184 54.840 0.003 0.000 0.773 256 L CB -0.099 41.977 42.059 0.029 0.000 0.936 256 L HN 0.057 nan 8.230 nan 0.000 0.451 257 L N -1.349 119.876 121.223 0.003 0.000 2.201 257 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 257 L C 2.341 179.212 176.870 0.002 0.000 1.105 257 L CA 0.553 55.396 54.840 0.004 0.000 0.775 257 L CB -0.652 41.400 42.059 -0.012 0.000 0.913 257 L HN 0.136 nan 8.230 nan 0.000 0.440 258 V N 0.081 119.992 119.914 -0.005 0.000 2.307 258 V HA -0.250 3.870 4.120 -0.000 0.000 0.245 258 V C 2.227 178.324 176.094 0.005 0.000 1.045 258 V CA 1.833 64.130 62.300 -0.004 0.000 1.024 258 V CB -0.591 31.226 31.823 -0.010 0.000 0.651 258 V HN 0.511 nan 8.190 nan 0.000 0.449 259 N N 0.408 119.113 118.700 0.008 0.000 2.142 259 N HA -0.053 4.687 4.740 -0.000 0.000 0.186 259 N C 1.574 177.107 175.510 0.037 0.000 1.023 259 N CA 1.097 54.163 53.050 0.028 0.000 0.852 259 N CB -0.369 38.135 38.487 0.030 0.000 0.998 259 N HN 0.378 nan 8.380 nan 0.000 0.424 260 L N 0.534 121.778 121.223 0.034 0.000 2.786 260 L HA -0.046 4.294 4.340 -0.000 0.000 0.250 260 L C 1.751 178.628 176.870 0.012 0.000 1.151 260 L CA 0.544 55.401 54.840 0.029 0.000 0.910 260 L CB -0.009 42.075 42.059 0.041 0.000 1.082 260 L HN 0.030 nan 8.230 nan 0.000 0.433 261 K N -0.534 119.871 120.400 0.009 0.000 2.412 261 K HA 0.142 4.462 4.320 -0.000 0.000 0.201 261 K C 1.988 178.584 176.600 -0.006 0.000 1.275 261 K CA 0.387 56.673 56.287 -0.001 0.000 0.910 261 K CB 0.306 32.805 32.500 -0.002 0.000 1.346 261 K HN -0.059 nan 8.250 nan 0.000 0.490 262 R N 0.241 120.743 120.500 0.004 0.000 2.055 262 R HA 0.088 4.428 4.340 -0.000 0.000 0.226 262 R C 1.615 177.916 176.300 0.002 0.000 1.135 262 R CA 1.195 57.297 56.100 0.003 0.000 0.959 262 R CB -0.077 30.237 30.300 0.023 0.000 0.854 262 R HN 0.178 nan 8.270 nan 0.000 0.431 263 Q N 0.980 120.802 119.800 0.038 0.000 2.491 263 Q HA -0.007 4.333 4.340 -0.000 0.000 0.214 263 Q C 0.619 176.623 176.000 0.007 0.000 0.970 263 Q CA 0.546 56.386 55.803 0.061 0.000 0.960 263 Q CB 0.318 29.111 28.738 0.092 0.000 0.996 263 Q HN 0.254 nan 8.270 nan 0.000 0.524 264 S N -1.714 113.972 115.700 -0.024 0.000 2.840 264 S HA 0.364 4.834 4.470 -0.000 0.000 0.235 264 S C 0.964 175.525 174.600 -0.064 0.000 0.968 264 S CA 0.130 58.306 58.200 -0.040 0.000 1.026 264 S CB 0.591 63.773 63.200 -0.031 0.000 0.788 264 S HN 0.334 nan 8.310 nan 0.000 0.487 265 A N 0.357 123.118 122.820 -0.098 0.000 1.878 265 A HA 0.299 4.619 4.320 -0.000 0.000 0.201 265 A C 1.617 179.109 177.584 -0.153 0.000 1.684 265 A CA -0.101 51.839 52.037 -0.160 0.000 1.113 265 A CB -0.139 18.703 19.000 -0.263 0.000 1.131 265 A HN 0.493 nan 8.150 nan 0.000 0.472 266 H N 1.106 120.161 119.070 -0.026 0.000 2.663 266 H HA 0.100 4.656 4.556 -0.000 0.000 0.319 266 H C 0.261 175.564 175.328 -0.042 0.000 1.063 266 H CA 1.579 57.610 56.048 -0.029 0.000 1.393 266 H CB -0.977 28.770 29.762 -0.024 0.000 1.550 266 H HN 0.280 nan 8.280 nan 0.000 0.689 267 T N 4.428 119.050 114.554 0.114 0.000 2.888 267 T HA 0.136 4.486 4.350 -0.000 0.000 0.301 267 T C -2.055 172.622 174.700 -0.039 0.000 1.001 267 T CA -1.003 61.099 62.100 0.003 0.000 1.147 267 T CB 0.888 69.733 68.868 -0.039 0.000 0.931 267 T HN 0.195 nan 8.240 nan 0.000 0.541 268 P HA 0.048 nan 4.420 nan 0.000 0.271 268 P C 0.620 177.825 177.300 -0.158 0.000 1.233 268 P CA -0.334 62.712 63.100 -0.091 0.000 0.795 268 P CB 0.439 32.089 31.700 -0.084 0.000 0.936 269 L N 0.231 121.346 121.223 -0.179 0.000 2.209 269 L HA 0.055 4.395 4.340 -0.000 0.000 0.207 269 L C 1.774 178.274 176.870 -0.617 0.000 1.094 269 L CA 1.501 56.169 54.840 -0.286 0.000 0.790 269 L CB -0.795 41.168 42.059 -0.160 0.000 0.932 269 L HN 0.238 nan 8.230 nan 0.000 0.447 270 R N -0.394 119.854 120.500 -0.420 0.000 2.541 270 R HA 0.272 4.612 4.340 -0.000 0.000 0.245 270 R C 0.972 177.053 176.300 -0.364 0.000 1.154 270 R CA 0.574 56.427 56.100 -0.411 0.000 1.179 270 R CB -0.116 30.187 30.300 0.005 0.000 1.189 270 R HN 0.270 nan 8.270 nan 0.000 0.526 271 A N -0.189 122.325 122.820 -0.509 0.000 2.167 271 A HA 0.029 4.349 4.320 -0.000 0.000 0.184 271 A C 1.251 178.660 177.584 -0.291 0.000 1.675 271 A CA -0.317 51.556 52.037 -0.273 0.000 1.215 271 A CB 0.099 18.996 19.000 -0.171 0.000 1.427 271 A HN 0.232 nan 8.150 nan 0.000 0.457 272 L N 0.262 121.264 121.223 -0.368 0.000 2.549 272 L HA 0.073 4.413 4.340 -0.000 0.000 0.230 272 L C 1.657 178.465 176.870 -0.105 0.000 1.162 272 L CA 1.384 56.087 54.840 -0.229 0.000 0.834 272 L CB -1.137 40.827 42.059 -0.158 0.000 0.947 272 L HN 0.489 nan 8.230 nan 0.000 0.452 273 F N -0.153 119.754 119.950 -0.072 0.000 2.095 273 F HA -0.249 4.278 4.527 -0.000 0.000 0.298 273 F C 1.448 177.009 175.800 -0.398 0.000 1.104 273 F CA 1.145 59.085 58.000 -0.100 0.000 1.232 273 F CB -0.164 38.747 39.000 -0.150 0.000 0.987 273 F HN 0.192 nan 8.300 nan 0.000 0.475 274 D N -0.981 119.243 120.400 -0.294 0.000 2.463 274 D HA 0.005 4.645 4.640 -0.000 0.000 0.224 274 D C 1.630 177.774 176.300 -0.259 0.000 1.174 274 D CA 0.018 53.762 54.000 -0.427 0.000 0.829 274 D CB 0.176 40.695 40.800 -0.468 0.000 0.993 274 D HN -0.093 nan 8.370 nan 0.000 0.497 275 K N 0.146 120.401 120.400 -0.243 0.000 2.067 275 K HA 0.004 4.324 4.320 -0.000 0.000 0.203 275 K C 0.843 177.197 176.600 -0.411 0.000 1.048 275 K CA 1.149 57.220 56.287 -0.360 0.000 0.954 275 K CB 0.197 32.404 32.500 -0.488 0.000 0.737 275 K HN 0.286 nan 8.250 nan 0.000 0.444 276 H N -0.311 118.752 119.070 -0.010 0.000 2.827 276 H HA 0.286 4.842 4.556 -0.000 0.000 0.269 276 H C 0.113 175.467 175.328 0.044 0.000 1.031 276 H CA 0.107 56.167 56.048 0.021 0.000 1.202 276 H CB 0.830 30.618 29.762 0.044 0.000 1.511 276 H HN 0.155 nan 8.280 nan 0.000 0.517 277 R N -0.345 120.211 120.500 0.093 0.000 3.892 277 R HA -0.106 4.234 4.340 -0.000 0.000 0.441 277 R C -0.105 176.426 176.300 0.385 0.000 1.052 277 R CA 0.671 56.831 56.100 0.101 0.000 1.190 277 R CB -2.200 28.150 30.300 0.083 0.000 1.808 277 R HN -0.014 nan 8.270 nan 0.000 0.538 278 V N 1.143 121.280 119.914 0.372 0.000 3.067 278 V HA 0.117 4.237 4.120 -0.000 0.000 0.388 278 V C 0.463 176.820 176.094 0.440 0.000 1.330 278 V CA 0.262 62.778 62.300 0.359 0.000 1.501 278 V CB -1.143 30.822 31.823 0.236 0.000 1.382 278 V HN 0.347 nan 8.190 nan 0.000 0.532 283 R N 0.933 121.268 120.500 -0.276 0.000 3.782 283 R HA 0.226 4.566 4.340 -0.000 0.000 0.291 283 R C 0.368 176.558 176.300 -0.183 0.000 1.539 283 R CA 0.616 56.479 56.100 -0.395 0.000 1.345 283 R CB 0.100 29.947 30.300 -0.756 0.000 1.408 283 R HN 0.402 nan 8.270 nan 0.000 0.654 284 G N -0.328 108.439 108.800 -0.056 0.000 4.386 284 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.219 284 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.219 284 G C 0.544 175.436 174.900 -0.012 0.000 0.758 284 G CA -0.301 44.788 45.100 -0.018 0.000 0.861 284 G HN 0.209 nan 8.290 nan 0.000 0.642 285 M N 0.366 119.955 119.600 -0.017 0.000 2.131 285 M HA 0.369 4.849 4.480 -0.000 0.000 0.253 285 M C 1.573 177.874 176.300 0.001 0.000 1.107 285 M CA 1.125 56.413 55.300 -0.019 0.000 1.147 285 M CB -0.173 32.409 32.600 -0.030 0.000 1.279 285 M HN 0.001 nan 8.290 nan 0.000 0.432 286 M N 1.067 120.681 119.600 0.023 0.000 3.709 286 M HA 0.156 4.636 4.480 -0.000 0.000 0.202 286 M C 0.667 176.997 176.300 0.051 0.000 1.360 286 M CA -0.033 55.281 55.300 0.024 0.000 1.600 286 M CB -0.555 32.062 32.600 0.029 0.000 1.061 286 M HN 0.430 nan 8.290 nan 0.000 0.575 287 G N 0.022 108.850 108.800 0.046 0.000 2.826 287 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.197 287 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.197 287 G C 1.096 176.016 174.900 0.033 0.000 1.072 287 G CA -0.088 45.048 45.100 0.061 0.000 0.733 287 G HN 0.504 nan 8.290 nan 0.000 0.674 288 E N 0.698 120.910 120.200 0.019 0.000 2.160 288 E HA -0.054 4.296 4.350 -0.000 0.000 0.195 288 E C 2.572 179.173 176.600 0.000 0.000 0.991 288 E CA 1.054 57.459 56.400 0.009 0.000 0.810 288 E CB -0.088 29.612 29.700 -0.000 0.000 0.742 288 E HN 0.344 nan 8.360 nan 0.000 0.466 289 A N 0.750 123.566 122.820 -0.007 0.000 1.972 289 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 289 A C 1.881 179.461 177.584 -0.007 0.000 1.169 289 A CA 0.715 52.743 52.037 -0.016 0.000 0.635 289 A CB -0.488 18.494 19.000 -0.030 0.000 0.810 289 A HN 0.293 nan 8.150 nan 0.000 0.446 290 L N -0.078 121.146 121.223 0.002 0.000 2.821 290 L HA -0.031 4.309 4.340 -0.000 0.000 0.254 290 L C 1.168 178.040 176.870 0.003 0.000 1.151 290 L CA 0.107 54.950 54.840 0.005 0.000 0.937 290 L CB -0.638 41.429 42.059 0.014 0.000 1.141 290 L HN 0.436 nan 8.230 nan 0.000 0.425 291 N N -0.967 117.734 118.700 0.002 0.000 2.591 291 N HA 0.033 4.773 4.740 -0.000 0.000 0.275 291 N C 1.423 176.935 175.510 0.003 0.000 0.863 291 N CA -0.065 52.986 53.050 0.003 0.000 1.019 291 N CB 0.250 38.740 38.487 0.005 0.000 1.674 291 N HN 0.042 nan 8.380 nan 0.000 1.001 292 R N 1.052 121.553 120.500 0.002 0.000 2.328 292 R HA 0.202 4.542 4.340 -0.000 0.000 0.207 292 R C 0.330 176.633 176.300 0.004 0.000 1.056 292 R CA 0.435 56.538 56.100 0.005 0.000 1.016 292 R CB 0.040 30.342 30.300 0.002 0.000 0.872 292 R HN 0.161 nan 8.270 nan 0.000 0.471 293 L N -0.265 120.958 121.223 -0.001 0.000 2.333 293 L HA 0.437 4.777 4.340 -0.000 0.000 0.269 293 L C -0.622 176.247 176.870 -0.002 0.000 1.010 293 L CA -0.695 54.143 54.840 -0.003 0.000 0.818 293 L CB 1.855 43.906 42.059 -0.013 0.000 1.306 293 L HN 0.044 nan 8.230 nan 0.000 0.430 294 S N 1.386 117.086 115.700 -0.001 0.000 2.664 294 S HA 0.354 4.824 4.470 -0.000 0.000 0.304 294 S C 0.446 175.044 174.600 -0.003 0.000 1.099 294 S CA -0.742 57.457 58.200 -0.001 0.000 1.003 294 S CB 1.757 64.958 63.200 0.001 0.000 1.092 294 S HN 0.780 nan 8.310 nan 0.000 0.525 295 Q N 0.505 120.302 119.800 -0.004 0.000 2.197 295 Q HA -0.162 4.178 4.340 -0.000 0.000 0.211 295 Q C 1.709 177.707 176.000 -0.003 0.000 0.993 295 Q CA 2.444 58.244 55.803 -0.005 0.000 0.883 295 Q CB -1.049 27.686 28.738 -0.005 0.000 0.916 295 Q HN 0.889 nan 8.270 nan 0.000 0.418 296 T N 1.135 115.687 114.554 -0.002 0.000 2.453 296 T HA -0.221 4.129 4.350 -0.000 0.000 0.243 296 T C 1.627 176.327 174.700 -0.001 0.000 1.254 296 T CA 1.356 63.456 62.100 -0.001 0.000 1.327 296 T CB -0.600 68.269 68.868 0.001 0.000 0.885 296 T HN 0.222 nan 8.240 nan 0.000 0.391 297 Q N 1.206 121.007 119.800 0.001 0.000 2.065 297 Q HA -0.151 4.189 4.340 -0.000 0.000 0.213 297 Q C 2.218 178.214 176.000 -0.005 0.000 1.012 297 Q CA 1.301 57.104 55.803 0.000 0.000 0.876 297 Q CB -1.275 27.465 28.738 0.002 0.000 0.954 297 Q HN 0.272 nan 8.270 nan 0.000 0.413 298 L N 0.427 121.645 121.223 -0.009 0.000 2.198 298 L HA -0.314 4.026 4.340 -0.000 0.000 0.218 298 L C 2.347 179.209 176.870 -0.012 0.000 1.084 298 L CA 2.178 57.010 54.840 -0.014 0.000 0.779 298 L CB -0.444 41.608 42.059 -0.012 0.000 0.890 298 L HN 0.302 nan 8.230 nan 0.000 0.439 299 R N -1.478 119.017 120.500 -0.007 0.000 2.064 299 R HA -0.074 4.266 4.340 -0.000 0.000 0.221 299 R C 2.255 178.552 176.300 -0.004 0.000 1.136 299 R CA 1.121 57.217 56.100 -0.006 0.000 0.980 299 R CB -0.318 29.980 30.300 -0.003 0.000 0.876 299 R HN 0.477 nan 8.270 nan 0.000 0.437 300 Q N 0.006 119.804 119.800 -0.002 0.000 2.224 300 Q HA -0.067 4.273 4.340 -0.000 0.000 0.203 300 Q C 1.871 177.871 176.000 0.000 0.000 0.970 300 Q CA 1.275 57.078 55.803 0.000 0.000 0.865 300 Q CB 0.041 28.781 28.738 0.002 0.000 0.922 300 Q HN 0.464 nan 8.270 nan 0.000 0.445 301 A N -0.207 122.612 122.820 -0.003 0.000 1.883 301 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 301 A C 2.138 179.720 177.584 -0.004 0.000 1.186 301 A CA 1.519 53.554 52.037 -0.004 0.000 0.624 301 A CB -0.677 18.314 19.000 -0.015 0.000 0.822 301 A HN 0.273 nan 8.150 nan 0.000 0.444 302 V N 0.007 119.916 119.914 -0.008 0.000 2.594 302 V HA -0.303 3.817 4.120 -0.000 0.000 0.253 302 V C 2.570 178.663 176.094 -0.001 0.000 1.069 302 V CA 2.140 64.435 62.300 -0.007 0.000 1.082 302 V CB -0.931 30.887 31.823 -0.010 0.000 0.680 302 V HN 0.621 nan 8.190 nan 0.000 0.469 303 Q N -0.099 119.701 119.800 -0.000 0.000 2.020 303 Q HA -0.167 4.173 4.340 -0.000 0.000 0.198 303 Q C 2.380 178.383 176.000 0.004 0.000 0.974 303 Q CA 1.821 57.625 55.803 0.002 0.000 0.829 303 Q CB -0.371 28.368 28.738 0.001 0.000 0.894 303 Q HN 0.692 nan 8.270 nan 0.000 0.433 304 L N -0.567 120.660 121.223 0.007 0.000 2.083 304 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 304 L C 1.997 178.876 176.870 0.016 0.000 1.083 304 L CA 1.608 56.455 54.840 0.011 0.000 0.752 304 L CB -0.863 41.205 42.059 0.015 0.000 0.899 304 L HN 0.135 nan 8.230 nan 0.000 0.433 305 L N -0.605 120.629 121.223 0.018 0.000 2.191 305 L HA -0.133 4.207 4.340 -0.000 0.000 0.212 305 L C 1.949 178.831 176.870 0.021 0.000 1.103 305 L CA 1.663 56.519 54.840 0.026 0.000 0.769 305 L CB -0.313 41.758 42.059 0.020 0.000 0.908 305 L HN 0.458 nan 8.230 nan 0.000 0.438 306 T N -1.382 113.179 114.554 0.012 0.000 3.051 306 T HA -0.006 4.344 4.350 -0.000 0.000 0.255 306 T C 1.767 176.470 174.700 0.005 0.000 1.085 306 T CA 0.269 62.375 62.100 0.009 0.000 1.109 306 T CB 0.015 68.886 68.868 0.006 0.000 0.921 306 T HN 0.299 nan 8.240 nan 0.000 0.488 307 R N 1.027 121.530 120.500 0.004 0.000 2.237 307 R HA -0.005 4.335 4.340 -0.000 0.000 0.219 307 R C 2.032 178.329 176.300 -0.006 0.000 1.080 307 R CA 1.308 57.407 56.100 -0.002 0.000 0.995 307 R CB -0.202 30.098 30.300 -0.000 0.000 0.875 307 R HN 0.341 nan 8.270 nan 0.000 0.462 308 T N -0.166 114.390 114.554 0.003 0.000 3.042 308 T HA -0.046 4.304 4.350 -0.000 0.000 0.245 308 T C 1.458 176.160 174.700 0.003 0.000 1.029 308 T CA 0.615 62.716 62.100 0.002 0.000 1.120 308 T CB 0.111 68.987 68.868 0.013 0.000 0.917 308 T HN 0.326 nan 8.240 nan 0.000 0.467 309 E N 2.641 122.849 120.200 0.012 0.000 2.160 309 E HA -0.109 4.241 4.350 -0.000 0.000 0.195 309 E C 1.891 178.497 176.600 0.010 0.000 0.991 309 E CA 1.191 57.603 56.400 0.019 0.000 0.810 309 E CB -1.096 28.617 29.700 0.023 0.000 0.742 309 E HN 0.425 nan 8.360 nan 0.000 0.466 310 L N 0.786 122.006 121.223 -0.006 0.000 2.044 310 L HA -0.093 4.247 4.340 -0.000 0.000 0.205 310 L C 2.481 179.312 176.870 -0.066 0.000 1.075 310 L CA 1.703 56.528 54.840 -0.025 0.000 0.747 310 L CB -1.113 40.930 42.059 -0.027 0.000 0.903 310 L HN 0.235 nan 8.230 nan 0.000 0.435 311 T N 0.521 115.036 114.554 -0.065 0.000 2.822 311 T HA -0.228 4.122 4.350 -0.000 0.000 0.270 311 T C 1.743 176.365 174.700 -0.129 0.000 1.064 311 T CA 1.236 63.275 62.100 -0.102 0.000 1.131 311 T CB -0.385 68.449 68.868 -0.058 0.000 0.858 311 T HN 0.157 nan 8.240 nan 0.000 0.483 312 L N 0.082 121.278 121.223 -0.045 0.000 2.551 312 L HA 0.091 4.431 4.340 -0.000 0.000 0.228 312 L C 1.584 178.526 176.870 0.120 0.000 1.153 312 L CA 1.193 56.059 54.840 0.044 0.000 0.851 312 L CB -0.203 41.901 42.059 0.074 0.000 0.959 312 L HN 0.007 nan 8.230 nan 0.000 0.451 313 K N -1.454 118.889 120.400 -0.095 0.000 2.412 313 K HA 0.231 4.551 4.320 -0.000 0.000 0.202 313 K C 1.110 177.293 176.600 -0.694 0.000 1.102 313 K CA 0.262 56.506 56.287 -0.071 0.000 1.027 313 K CB 0.612 33.148 32.500 0.060 0.000 0.931 313 K HN 0.415 nan 8.250 nan 0.000 0.557 314 Q N -0.056 119.296 119.800 -0.745 0.000 2.254 314 Q HA 0.093 4.433 4.340 -0.000 0.000 0.259 314 Q C 0.003 175.635 176.000 -0.613 0.000 0.815 314 Q CA 0.366 55.801 55.803 -0.613 0.000 0.961 314 Q CB 1.008 29.591 28.738 -0.259 0.000 1.140 314 Q HN 0.084 nan 8.270 nan 0.000 0.502 315 D N -0.237 119.834 120.400 -0.548 0.000 2.503 315 D HA 0.073 4.713 4.640 -0.000 0.000 0.218 315 D C -0.580 175.627 176.300 -0.156 0.000 1.183 315 D CA -0.249 53.584 54.000 -0.278 0.000 0.827 315 D CB 0.302 41.017 40.800 -0.143 0.000 1.034 315 D HN 0.063 nan 8.370 nan 0.000 0.510 316 Y N 1.186 121.487 120.300 0.002 0.000 3.335 316 Y HA 0.024 4.574 4.550 -0.000 0.000 0.365 316 Y C 1.814 177.714 175.900 0.000 0.000 1.199 316 Y CA 0.296 58.397 58.100 0.002 0.000 1.527 316 Y CB -0.767 37.694 38.460 0.002 0.000 1.098 316 Y HN 0.127 nan 8.280 nan 0.000 0.628 317 G N 1.698 110.609 108.800 0.186 0.000 2.412 317 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.297 317 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.297 317 G C -0.162 174.775 174.900 0.062 0.000 0.965 317 G CA 0.519 45.677 45.100 0.097 0.000 1.134 317 G HN 0.751 nan 8.290 nan 0.000 0.511 323 E N 0.703 120.899 120.200 -0.006 0.000 2.077 323 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 323 E C 1.699 178.318 176.600 0.031 0.000 0.989 323 E CA 1.446 57.853 56.400 0.012 0.000 0.800 323 E CB -0.196 29.511 29.700 0.012 0.000 0.746 323 E HN 0.637 nan 8.360 nan 0.000 0.452 324 L N 1.017 122.247 121.223 0.012 0.000 2.083 324 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 324 L C 2.615 179.525 176.870 0.065 0.000 1.083 324 L CA 1.137 56.000 54.840 0.039 0.000 0.752 324 L CB -0.252 41.730 42.059 -0.128 0.000 0.899 324 L HN 0.169 nan 8.230 nan 0.000 0.433 325 E N -0.158 120.043 120.200 0.002 0.000 2.106 325 E HA -0.154 4.196 4.350 -0.000 0.000 0.192 325 E C 2.086 178.714 176.600 0.048 0.000 0.984 325 E CA 1.003 57.411 56.400 0.013 0.000 0.806 325 E CB -0.026 29.661 29.700 -0.023 0.000 0.750 325 E HN 0.480 nan 8.360 nan 0.000 0.458 326 G N 1.730 110.554 108.800 0.041 0.000 2.496 326 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.214 326 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.214 326 G C 1.554 176.491 174.900 0.062 0.000 1.234 326 G CA 0.901 46.028 45.100 0.044 0.000 0.807 326 G HN 0.359 nan 8.290 nan 0.000 0.543 327 L N 1.671 122.936 121.223 0.070 0.000 2.137 327 L HA -0.105 4.235 4.340 -0.000 0.000 0.213 327 L C 2.679 179.604 176.870 0.091 0.000 1.085 327 L CA 2.987 57.872 54.840 0.075 0.000 0.760 327 L CB -0.966 41.142 42.059 0.082 0.000 0.893 327 L HN 0.309 nan 8.230 nan 0.000 0.434 328 S N -0.293 115.498 115.700 0.152 0.000 2.368 328 S HA -0.134 4.336 4.470 -0.000 0.000 0.224 328 S C 2.038 176.686 174.600 0.080 0.000 1.029 328 S CA 1.406 59.714 58.200 0.180 0.000 0.988 328 S CB -1.163 62.259 63.200 0.370 0.000 0.838 328 S HN 0.557 nan 8.310 nan 0.000 0.462 329 L N 0.931 122.193 121.223 0.066 0.000 2.131 329 L HA 0.019 4.359 4.340 -0.000 0.000 0.210 329 L C 2.677 179.551 176.870 0.006 0.000 1.092 329 L CA 0.819 55.671 54.840 0.019 0.000 0.759 329 L CB -0.452 41.629 42.059 0.036 0.000 0.903 329 L HN 0.354 nan 8.230 nan 0.000 0.435 330 L N 0.416 121.659 121.223 0.034 0.000 2.265 330 L HA -0.157 4.183 4.340 -0.000 0.000 0.215 330 L C 1.695 178.575 176.870 0.017 0.000 1.117 330 L CA 1.675 56.538 54.840 0.038 0.000 0.782 330 L CB -0.446 41.636 42.059 0.038 0.000 0.914 330 L HN 0.306 nan 8.230 nan 0.000 0.441 331 L N -1.077 120.141 121.223 -0.009 0.000 2.737 331 L HA 0.044 4.384 4.340 -0.000 0.000 0.236 331 L C 1.227 178.065 176.870 -0.052 0.000 1.219 331 L CA -0.414 54.406 54.840 -0.033 0.000 1.021 331 L CB -0.397 41.626 42.059 -0.061 0.000 1.291 331 L HN 0.246 nan 8.230 nan 0.000 0.470 332 C N -2.553 116.707 119.300 -0.067 0.000 4.111 332 C HA 0.303 4.763 4.460 -0.000 0.000 0.443 332 C C 0.946 175.859 174.990 -0.128 0.000 1.586 332 C CA -0.337 58.599 59.018 -0.135 0.000 2.085 332 C CB 0.099 27.699 27.740 -0.233 0.000 3.126 332 C HN 0.396 nan 8.230 nan 0.000 0.684 333 H N 0.000 119.073 119.070 0.005 0.000 2.539 333 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 333 H CA 0.000 56.051 56.048 0.005 0.000 1.023 333 H CB 0.000 29.767 29.762 0.008 0.000 1.292 333 H HN 0.000 nan 8.280 nan 0.000 0.496