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 2c4c_1_B DATA FIRST_RESID 7 DATA SEQUENCE TNPAHDHFET FVQAQLCQDV LSSFQGLCRA LGVESGGGLS QYHKIKAQLN DATA SEQUENCE YWSAKSLWAK LDKRASQPVY QQGQACTNTK CLVVGAGPCG LRAAVELALL DATA SEQUENCE GARVVLVEKR IKFSRHNVLH LWPFTIHDLR ALGAKKFYGR FCTGTLDHIS DATA SEQUENCE IRQLQLLLLK VALLLGVEIH WGVKFTGLQP PPRKGSGWRA QLQPNPPAQL DATA SEQUENCE ASYEFDVLIS AAGGKFVPEG FTIREMRGKL AIGITANFVN GRTVEETQVP DATA SEQUENCE EISGXXXXYN QKFFQSLLKA TGIDLENIVY YKDETHYFVM TAKKQCLLRL DATA SEQUENCE GVLRQDLSET DQLLGKANVV PEALQRFARA AADFATHGKL GKLEFAQDAR DATA SEQUENCE GRPDVAAFDF TSMMRAESSA RVQEKHGARL LLGLVGDCLV EPFWPLGTGV DATA SEQUENCE ARGFLAAFDA AWMVKRWAEG AGPLEVLAER ESLYQLLSQT SPENMHRNVA DATA SEQUENCE QYGLDPATRY PNLNLRAVTP NQVQDLYDMM D 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 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.712 174.700 0.020 0.000 1.109 7 T CA 0.000 62.121 62.100 0.034 0.000 1.349 7 T CB 0.000 68.892 68.868 0.040 0.000 0.612 8 N N 1.015 119.730 118.700 0.025 0.000 2.424 8 N HA 0.415 5.154 4.740 -0.003 0.000 0.271 8 N C -2.005 173.481 175.510 -0.039 0.000 0.985 8 N CA -2.072 50.954 53.050 -0.040 0.000 0.921 8 N CB 1.991 40.413 38.487 -0.108 0.000 1.149 8 N HN 0.291 nan 8.380 nan 0.000 0.492 9 P HA -0.140 nan 4.420 nan 0.000 0.214 9 P C 0.851 178.226 177.300 0.125 0.000 1.163 9 P CA 1.686 64.822 63.100 0.059 0.000 0.889 9 P CB 0.283 32.004 31.700 0.034 0.000 0.790 10 A N -0.843 121.958 122.820 -0.032 0.000 1.855 10 A HA -0.220 4.099 4.320 -0.003 0.000 0.215 10 A C 2.035 179.721 177.584 0.170 0.000 1.191 10 A CA 1.701 53.746 52.037 0.014 0.000 0.613 10 A CB -1.927 16.992 19.000 -0.136 0.000 0.829 10 A HN 0.288 nan 8.150 nan 0.000 0.442 11 H N -0.448 118.679 119.070 0.095 0.000 2.387 11 H HA -0.103 4.451 4.556 -0.003 0.000 0.299 11 H C 1.452 176.902 175.328 0.203 0.000 1.090 11 H CA 0.921 57.038 56.048 0.115 0.000 1.332 11 H CB -0.003 29.678 29.762 -0.135 0.000 1.386 11 H HN 0.416 nan 8.280 nan 0.000 0.516 12 D N -0.332 120.204 120.400 0.227 0.000 2.178 12 D HA -0.118 4.521 4.640 -0.003 0.000 0.202 12 D C 1.960 178.322 176.300 0.103 0.000 0.974 12 D CA 0.930 55.006 54.000 0.127 0.000 0.841 12 D CB -0.228 40.584 40.800 0.020 0.000 0.953 12 D HN 0.506 nan 8.370 nan 0.000 0.478 13 H N -1.090 118.088 119.070 0.180 0.000 2.389 13 H HA -0.059 4.496 4.556 -0.002 0.000 0.299 13 H C 1.826 177.336 175.328 0.304 0.000 1.081 13 H CA 0.715 56.875 56.048 0.187 0.000 1.345 13 H CB -0.184 29.650 29.762 0.119 0.000 1.393 13 H HN 0.174 nan 8.280 nan 0.000 0.520 14 F N 1.785 121.936 119.950 0.335 0.000 2.187 14 F HA -0.042 4.483 4.527 -0.003 0.000 0.295 14 F C 2.303 178.313 175.800 0.349 0.000 1.091 14 F CA 0.932 59.161 58.000 0.382 0.000 1.308 14 F CB -0.043 39.180 39.000 0.373 0.000 1.030 14 F HN -0.007 nan 8.300 nan 0.000 0.487 15 E N -0.553 119.789 120.200 0.236 0.000 2.160 15 E HA -0.226 4.122 4.350 -0.003 0.000 0.195 15 E C 2.054 178.663 176.600 0.015 0.000 0.991 15 E CA 1.932 58.378 56.400 0.076 0.000 0.810 15 E CB -0.200 29.603 29.700 0.172 0.000 0.742 15 E HN 0.567 nan 8.360 nan 0.000 0.466 16 T N -1.832 112.770 114.554 0.081 0.000 3.044 16 T HA -0.050 4.299 4.350 -0.003 0.000 0.255 16 T C 1.641 176.397 174.700 0.093 0.000 1.073 16 T CA 0.035 62.177 62.100 0.070 0.000 1.125 16 T CB -0.270 68.642 68.868 0.074 0.000 0.908 16 T HN 0.162 nan 8.240 nan 0.000 0.480 17 F N 2.879 122.836 119.950 0.011 0.000 2.134 17 F HA 0.003 4.528 4.527 -0.003 0.000 0.299 17 F C 2.003 177.788 175.800 -0.026 0.000 1.097 17 F CA 0.841 58.868 58.000 0.044 0.000 1.264 17 F CB -0.631 38.470 39.000 0.168 0.000 1.001 17 F HN 0.013 nan 8.300 nan 0.000 0.479 18 V N 1.469 121.177 119.914 -0.343 0.000 2.261 18 V HA -0.317 3.802 4.120 -0.003 0.000 0.246 18 V C 2.064 178.052 176.094 -0.177 0.000 1.047 18 V CA 2.358 64.459 62.300 -0.331 0.000 1.015 18 V CB -1.202 30.386 31.823 -0.392 0.000 0.642 18 V HN 0.614 nan 8.190 nan 0.000 0.446 19 Q N 0.593 120.320 119.800 -0.121 0.000 2.212 19 Q HA 0.456 4.794 4.340 -0.003 0.000 0.213 19 Q C 0.547 176.521 176.000 -0.043 0.000 0.874 19 Q CA 0.197 55.969 55.803 -0.052 0.000 0.965 19 Q CB 0.027 28.752 28.738 -0.021 0.000 1.074 19 Q HN 0.498 nan 8.270 nan 0.000 0.473 20 A N 1.138 123.909 122.820 -0.082 0.000 2.492 20 A HA 0.072 4.391 4.320 -0.003 0.000 0.254 20 A C 0.702 178.253 177.584 -0.055 0.000 1.091 20 A CA -0.213 51.793 52.037 -0.051 0.000 0.768 20 A CB 0.533 19.508 19.000 -0.042 0.000 1.028 20 A HN 0.313 nan 8.150 nan 0.000 0.498 21 Q N 1.088 120.873 119.800 -0.024 0.000 2.378 21 Q HA 0.194 4.533 4.340 -0.003 0.000 0.229 21 Q C -0.471 175.524 176.000 -0.009 0.000 0.882 21 Q CA 0.506 56.302 55.803 -0.012 0.000 0.936 21 Q CB 0.168 28.912 28.738 0.010 0.000 1.092 21 Q HN 0.699 nan 8.270 nan 0.000 0.535 22 L N -0.208 121.000 121.223 -0.025 0.000 2.325 22 L HA 0.178 4.517 4.340 -0.003 0.000 0.279 22 L C 1.406 178.214 176.870 -0.103 0.000 1.054 22 L CA -0.060 54.749 54.840 -0.051 0.000 0.804 22 L CB 1.046 43.070 42.059 -0.059 0.000 1.200 22 L HN 0.089 nan 8.230 nan 0.000 0.436 23 C N 1.208 120.396 119.300 -0.188 0.000 2.403 23 C HA -0.191 4.267 4.460 -0.003 0.000 0.279 23 C C 2.630 177.380 174.990 -0.399 0.000 1.269 23 C CA 0.979 59.759 59.018 -0.396 0.000 1.774 23 C CB -0.436 26.784 27.740 -0.868 0.000 1.993 23 C HN 1.002 nan 8.230 nan 0.000 0.496 24 Q N 0.951 120.563 119.800 -0.315 0.000 1.990 24 Q HA -0.114 4.224 4.340 -0.003 0.000 0.200 24 Q C 1.878 177.803 176.000 -0.125 0.000 0.980 24 Q CA 2.365 58.017 55.803 -0.252 0.000 0.832 24 Q CB -0.409 28.217 28.738 -0.187 0.000 0.897 24 Q HN 0.653 nan 8.270 nan 0.000 0.427 25 D N -0.772 119.586 120.400 -0.069 0.000 2.190 25 D HA -0.145 4.494 4.640 -0.003 0.000 0.200 25 D C 1.847 178.191 176.300 0.073 0.000 0.992 25 D CA 1.113 55.117 54.000 0.007 0.000 0.854 25 D CB -0.231 40.572 40.800 0.006 0.000 0.936 25 D HN 0.130 nan 8.370 nan 0.000 0.462 26 V N 1.112 121.048 119.914 0.037 0.000 2.343 26 V HA -0.228 3.890 4.120 -0.003 0.000 0.247 26 V C 2.615 178.878 176.094 0.282 0.000 1.051 26 V CA 1.257 63.640 62.300 0.138 0.000 1.036 26 V CB -0.491 31.340 31.823 0.014 0.000 0.654 26 V HN 0.195 nan 8.190 nan 0.000 0.451 27 L N 0.623 121.911 121.223 0.109 0.000 2.072 27 L HA -0.095 4.244 4.340 -0.003 0.000 0.205 27 L C 2.761 179.731 176.870 0.168 0.000 1.079 27 L CA 1.646 56.568 54.840 0.136 0.000 0.752 27 L CB -0.837 41.192 42.059 -0.051 0.000 0.906 27 L HN 0.526 nan 8.230 nan 0.000 0.436 28 S N -0.177 115.586 115.700 0.105 0.000 2.355 28 S HA -0.175 4.293 4.470 -0.003 0.000 0.222 28 S C 2.161 176.859 174.600 0.163 0.000 1.031 28 S CA 1.239 59.500 58.200 0.102 0.000 0.993 28 S CB -0.614 62.623 63.200 0.061 0.000 0.859 28 S HN 0.503 nan 8.310 nan 0.000 0.453 29 S N 0.274 116.117 115.700 0.239 0.000 2.461 29 S HA 0.089 4.558 4.470 -0.003 0.000 0.228 29 S C 1.540 176.331 174.600 0.318 0.000 1.005 29 S CA 0.396 58.791 58.200 0.325 0.000 0.942 29 S CB -0.853 62.555 63.200 0.346 0.000 0.776 29 S HN 0.500 nan 8.310 nan 0.000 0.514 30 F N 2.119 122.153 119.950 0.141 0.000 2.367 30 F HA 0.211 4.736 4.527 -0.003 0.000 0.298 30 F C 2.446 178.193 175.800 -0.088 0.000 1.094 30 F CA 0.951 58.876 58.000 -0.125 0.000 1.409 30 F CB -0.329 38.578 39.000 -0.155 0.000 1.064 30 F HN 0.180 nan 8.300 nan 0.000 0.528 31 Q N 0.192 119.980 119.800 -0.021 0.000 2.172 31 Q HA 0.061 4.399 4.340 -0.003 0.000 0.200 31 Q C 2.381 178.254 176.000 -0.212 0.000 0.964 31 Q CA 1.544 57.273 55.803 -0.123 0.000 0.855 31 Q CB -0.875 27.861 28.738 -0.003 0.000 0.918 31 Q HN 0.415 nan 8.270 nan 0.000 0.444 32 G N 0.135 108.826 108.800 -0.182 0.000 2.408 32 G HA2 -0.210 3.748 3.960 -0.003 0.000 0.217 32 G HA3 -0.210 3.748 3.960 -0.003 0.000 0.217 32 G C 1.314 175.678 174.900 -0.894 0.000 1.150 32 G CA 0.785 45.594 45.100 -0.485 0.000 0.776 32 G HN 0.395 nan 8.290 nan 0.000 0.542 33 L N 0.527 121.429 121.223 -0.535 0.000 2.027 33 L HA 0.013 4.351 4.340 -0.003 0.000 0.206 33 L C 2.729 179.372 176.870 -0.379 0.000 1.074 33 L CA 1.518 56.145 54.840 -0.355 0.000 0.745 33 L CB -0.651 41.322 42.059 -0.143 0.000 0.898 33 L HN 0.220 nan 8.230 nan 0.000 0.433 34 C N -0.234 118.766 119.300 -0.499 0.000 2.410 34 C HA -0.118 4.341 4.460 -0.003 0.000 0.281 34 C C 2.813 177.637 174.990 -0.277 0.000 1.318 34 C CA 0.861 59.620 59.018 -0.431 0.000 1.776 34 C CB -1.242 26.184 27.740 -0.523 0.000 1.942 34 C HN 0.486 nan 8.230 nan 0.000 0.508 35 R N 0.249 120.586 120.500 -0.272 0.000 2.140 35 R HA 0.076 4.414 4.340 -0.003 0.000 0.213 35 R C 2.379 178.572 176.300 -0.179 0.000 1.059 35 R CA 1.025 57.008 56.100 -0.195 0.000 1.000 35 R CB -0.367 29.832 30.300 -0.168 0.000 0.910 35 R HN 0.472 nan 8.270 nan 0.000 0.455 36 A N 1.151 123.830 122.820 -0.235 0.000 2.019 36 A HA -0.074 4.245 4.320 -0.003 0.000 0.219 36 A C 1.876 179.389 177.584 -0.119 0.000 1.164 36 A CA 1.115 53.057 52.037 -0.159 0.000 0.644 36 A CB -0.226 18.681 19.000 -0.154 0.000 0.805 36 A HN 0.174 nan 8.150 nan 0.000 0.449 37 L N -1.489 119.650 121.223 -0.139 0.000 2.640 37 L HA 0.269 4.607 4.340 -0.003 0.000 0.230 37 L C 1.279 178.084 176.870 -0.108 0.000 1.123 37 L CA 0.298 55.069 54.840 -0.115 0.000 0.900 37 L CB -0.259 41.726 42.059 -0.123 0.000 1.146 37 L HN 0.496 nan 8.230 nan 0.000 0.484 38 G N 2.108 110.840 108.800 -0.113 0.000 2.351 38 G HA2 -0.178 3.781 3.960 -0.003 0.000 0.297 38 G HA3 -0.178 3.781 3.960 -0.003 0.000 0.297 38 G C -0.170 174.674 174.900 -0.093 0.000 1.054 38 G CA 0.383 45.427 45.100 -0.093 0.000 1.123 38 G HN 0.269 nan 8.290 nan 0.000 0.512 39 V N -3.533 116.313 119.914 -0.114 0.000 3.078 39 V HA 0.878 4.996 4.120 -0.003 0.000 0.311 39 V C -0.370 175.661 176.094 -0.106 0.000 1.138 39 V CA -1.692 60.545 62.300 -0.104 0.000 1.007 39 V CB 2.337 34.090 31.823 -0.116 0.000 1.045 39 V HN 0.213 nan 8.190 nan 0.000 0.432 40 E N 2.173 122.331 120.200 -0.071 0.000 2.046 40 E HA 0.281 4.629 4.350 -0.003 0.000 0.279 40 E C 0.216 176.798 176.600 -0.031 0.000 0.989 40 E CA -0.061 56.310 56.400 -0.049 0.000 0.798 40 E CB 1.527 31.213 29.700 -0.023 0.000 1.086 40 E HN 0.953 nan 8.360 nan 0.000 0.399 41 S N 1.848 117.528 115.700 -0.035 0.000 2.643 41 S HA 0.268 4.736 4.470 -0.003 0.000 0.329 41 S C 0.990 175.636 174.600 0.077 0.000 1.193 41 S CA 0.350 58.586 58.200 0.059 0.000 1.293 41 S CB -0.195 63.071 63.200 0.110 0.000 1.205 41 S HN 0.705 nan 8.310 nan 0.000 0.550 42 G N 2.101 110.942 108.800 0.068 0.000 2.834 42 G HA2 0.024 3.982 3.960 -0.003 0.000 0.217 42 G HA3 0.024 3.982 3.960 -0.003 0.000 0.217 42 G C 0.457 175.363 174.900 0.010 0.000 0.974 42 G CA -0.249 44.864 45.100 0.021 0.000 0.826 42 G HN 1.228 nan 8.290 nan 0.000 0.584 43 G N 0.606 109.415 108.800 0.015 0.000 3.424 43 G HA2 0.555 4.514 3.960 -0.003 0.000 0.263 43 G HA3 0.555 4.514 3.960 -0.003 0.000 0.263 43 G C 1.418 176.310 174.900 -0.014 0.000 1.310 43 G CA 1.328 46.428 45.100 -0.000 0.000 1.089 43 G HN 1.651 nan 8.290 nan 0.000 0.534 44 G N 0.371 109.164 108.800 -0.012 0.000 2.596 44 G HA2 -0.359 3.600 3.960 -0.003 0.000 0.295 44 G HA3 -0.359 3.600 3.960 -0.003 0.000 0.295 44 G C 1.117 175.982 174.900 -0.059 0.000 1.240 44 G CA 0.486 45.568 45.100 -0.031 0.000 0.985 44 G HN 0.548 nan 8.290 nan 0.000 0.555 45 L N 0.617 121.772 121.223 -0.112 0.000 2.341 45 L HA 0.140 4.478 4.340 -0.003 0.000 0.214 45 L C 3.101 179.673 176.870 -0.498 0.000 1.115 45 L CA 1.519 56.213 54.840 -0.244 0.000 0.820 45 L CB -0.434 41.486 42.059 -0.233 0.000 0.944 45 L HN 0.583 nan 8.230 nan 0.000 0.452 46 S N -0.214 115.320 115.700 -0.277 0.000 2.359 46 S HA -0.289 4.179 4.470 -0.003 0.000 0.224 46 S C 2.058 176.567 174.600 -0.152 0.000 1.035 46 S CA 1.702 59.787 58.200 -0.192 0.000 1.018 46 S CB -0.159 62.997 63.200 -0.074 0.000 0.876 46 S HN 0.489 nan 8.310 nan 0.000 0.448 47 Q N -0.762 118.981 119.800 -0.095 0.000 2.030 47 Q HA -0.228 4.110 4.340 -0.003 0.000 0.204 47 Q C 2.013 177.984 176.000 -0.049 0.000 0.986 47 Q CA 2.147 57.921 55.803 -0.048 0.000 0.843 47 Q CB -0.560 28.186 28.738 0.013 0.000 0.904 47 Q HN 0.774 nan 8.270 nan 0.000 0.420 48 Y N 0.920 121.116 120.300 -0.173 0.000 2.081 48 Y HA -0.289 4.259 4.550 -0.003 0.000 0.280 48 Y C 1.895 177.683 175.900 -0.186 0.000 1.163 48 Y CA 2.501 60.500 58.100 -0.169 0.000 1.135 48 Y CB -0.856 37.513 38.460 -0.153 0.000 0.970 48 Y HN 0.360 nan 8.280 nan 0.000 0.498 49 H N -0.490 118.318 119.070 -0.437 0.000 2.421 49 H HA -0.092 4.462 4.556 -0.003 0.000 0.298 49 H C 2.064 177.127 175.328 -0.443 0.000 1.087 49 H CA 1.167 56.885 56.048 -0.549 0.000 1.330 49 H CB 0.041 29.637 29.762 -0.277 0.000 1.388 49 H HN 0.336 nan 8.280 nan 0.000 0.526 50 K N 0.394 120.679 120.400 -0.191 0.000 2.103 50 K HA -0.073 4.245 4.320 -0.003 0.000 0.204 50 K C 1.943 178.398 176.600 -0.241 0.000 1.052 50 K CA 0.670 56.850 56.287 -0.178 0.000 0.945 50 K CB 0.221 32.650 32.500 -0.120 0.000 0.722 50 K HN 0.201 nan 8.250 nan 0.000 0.443 51 I N 2.753 123.151 120.570 -0.287 0.000 2.163 51 I HA -0.290 3.879 4.170 -0.003 0.000 0.243 51 I C 2.358 178.177 176.117 -0.497 0.000 1.085 51 I CA 1.693 62.816 61.300 -0.296 0.000 1.347 51 I CB -1.012 36.882 38.000 -0.177 0.000 1.044 51 I HN 0.284 nan 8.210 nan 0.000 0.408 52 K N 1.530 121.383 120.400 -0.911 0.000 2.288 52 K HA 0.031 4.350 4.320 -0.003 0.000 0.201 52 K C 2.050 178.297 176.600 -0.588 0.000 1.048 52 K CA 1.169 56.687 56.287 -1.283 0.000 0.956 52 K CB -0.270 31.050 32.500 -1.968 0.000 0.746 52 K HN 0.150 nan 8.250 nan 0.000 0.461 53 A N 1.815 124.391 122.820 -0.406 0.000 1.969 53 A HA -0.144 4.175 4.320 -0.003 0.000 0.218 53 A C 1.961 179.475 177.584 -0.116 0.000 1.169 53 A CA 1.236 53.141 52.037 -0.221 0.000 0.635 53 A CB -0.304 18.587 19.000 -0.180 0.000 0.810 53 A HN 0.476 nan 8.150 nan 0.000 0.445 54 Q N -1.020 118.716 119.800 -0.106 0.000 2.376 54 Q HA 0.251 4.589 4.340 -0.003 0.000 0.206 54 Q C 0.419 176.475 176.000 0.093 0.000 0.921 54 Q CA 0.270 56.060 55.803 -0.021 0.000 0.911 54 Q CB 0.202 28.911 28.738 -0.048 0.000 1.032 54 Q HN 0.622 nan 8.270 nan 0.000 0.510 55 L N 1.252 122.540 121.223 0.108 0.000 3.034 55 L HA 0.271 4.609 4.340 -0.003 0.000 0.245 55 L C 0.139 177.226 176.870 0.362 0.000 1.295 55 L CA -0.512 54.528 54.840 0.334 0.000 1.068 55 L CB -0.156 42.021 42.059 0.196 0.000 1.426 55 L HN 0.001 nan 8.230 nan 0.000 0.531 56 N N 2.441 121.293 118.700 0.252 0.000 2.466 56 N HA 0.131 4.869 4.740 -0.003 0.000 0.263 56 N C -0.833 174.822 175.510 0.241 0.000 1.178 56 N CA 0.092 53.253 53.050 0.185 0.000 0.983 56 N CB -0.154 38.387 38.487 0.090 0.000 1.331 56 N HN 0.385 nan 8.380 nan 0.000 0.500 57 Y N 0.877 121.144 120.300 -0.055 0.000 2.764 57 Y HA 0.304 4.853 4.550 -0.003 0.000 0.331 57 Y C 1.375 177.162 175.900 -0.187 0.000 1.280 57 Y CA -1.387 56.635 58.100 -0.130 0.000 1.065 57 Y CB 0.027 38.304 38.460 -0.306 0.000 1.319 57 Y HN 0.083 nan 8.280 nan 0.000 0.453 58 W N 0.231 121.558 121.300 0.046 0.000 2.277 58 W HA -0.299 4.359 4.660 -0.002 0.000 0.327 58 W C 1.800 178.191 176.519 -0.214 0.000 1.284 58 W CA 2.674 59.992 57.345 -0.045 0.000 1.277 58 W CB -1.785 27.709 29.460 0.056 0.000 1.141 58 W HN 0.684 nan 8.180 nan 0.000 0.482 59 S N 1.868 116.972 115.700 -0.993 0.000 2.343 59 S HA 0.013 4.482 4.470 -0.003 0.000 0.212 59 S C 2.256 176.425 174.600 -0.718 0.000 1.033 59 S CA 2.422 60.121 58.200 -0.835 0.000 1.004 59 S CB -1.003 61.477 63.200 -1.200 0.000 0.977 59 S HN 0.323 nan 8.310 nan 0.000 0.427 60 A N 1.074 123.266 122.820 -1.046 0.000 2.125 60 A HA 0.002 4.320 4.320 -0.003 0.000 0.219 60 A C 2.077 179.097 177.584 -0.939 0.000 1.156 60 A CA 1.313 52.750 52.037 -1.001 0.000 0.671 60 A CB -0.581 17.772 19.000 -1.078 0.000 0.794 60 A HN 0.657 nan 8.150 nan 0.000 0.459 61 K N 0.387 120.479 120.400 -0.513 0.000 2.044 61 K HA -0.203 4.116 4.320 -0.003 0.000 0.210 61 K C 2.505 178.996 176.600 -0.182 0.000 1.049 61 K CA 1.852 58.018 56.287 -0.201 0.000 0.927 61 K CB -0.239 32.202 32.500 -0.098 0.000 0.713 61 K HN 0.711 nan 8.250 nan 0.000 0.443 62 S N 1.335 116.900 115.700 -0.225 0.000 2.370 62 S HA -0.199 4.270 4.470 -0.003 0.000 0.226 62 S C 2.001 176.480 174.600 -0.203 0.000 1.033 62 S CA 1.336 59.430 58.200 -0.176 0.000 1.011 62 S CB -0.501 62.591 63.200 -0.180 0.000 0.852 62 S HN 0.259 nan 8.310 nan 0.000 0.457 63 L N 0.912 121.916 121.223 -0.364 0.000 2.005 63 L HA 0.174 4.513 4.340 -0.003 0.000 0.207 63 L C 2.352 179.163 176.870 -0.098 0.000 1.072 63 L CA 1.603 56.226 54.840 -0.361 0.000 0.744 63 L CB -1.233 40.447 42.059 -0.632 0.000 0.895 63 L HN 0.508 nan 8.230 nan 0.000 0.433 64 W N -0.373 120.957 121.300 0.049 0.000 2.342 64 W HA -0.148 4.511 4.660 -0.002 0.000 0.297 64 W C 2.494 179.069 176.519 0.094 0.000 1.213 64 W CA 0.482 57.900 57.345 0.121 0.000 1.251 64 W CB -0.639 28.849 29.460 0.047 0.000 1.136 64 W HN 0.312 nan 8.180 nan 0.000 0.526 65 A N 1.040 123.990 122.820 0.217 0.000 1.902 65 A HA -0.219 4.100 4.320 -0.003 0.000 0.217 65 A C 1.880 179.530 177.584 0.110 0.000 1.181 65 A CA 1.922 54.037 52.037 0.131 0.000 0.623 65 A CB -0.659 18.377 19.000 0.060 0.000 0.818 65 A HN 0.297 nan 8.150 nan 0.000 0.443 66 K N -0.578 119.869 120.400 0.078 0.000 2.057 66 K HA 0.035 4.353 4.320 -0.003 0.000 0.206 66 K C 1.828 178.489 176.600 0.102 0.000 1.050 66 K CA 1.283 57.606 56.287 0.060 0.000 0.935 66 K CB -0.282 32.219 32.500 0.003 0.000 0.715 66 K HN 0.473 nan 8.250 nan 0.000 0.439 67 L N 0.714 122.033 121.223 0.160 0.000 2.109 67 L HA -0.154 4.184 4.340 -0.003 0.000 0.207 67 L C 1.685 178.646 176.870 0.150 0.000 1.086 67 L CA 0.889 55.815 54.840 0.144 0.000 0.760 67 L CB -0.266 41.910 42.059 0.194 0.000 0.910 67 L HN 0.158 nan 8.230 nan 0.000 0.437 68 D N 0.103 120.645 120.400 0.236 0.000 2.224 68 D HA -0.157 4.481 4.640 -0.003 0.000 0.205 68 D C 2.065 178.447 176.300 0.137 0.000 0.965 68 D CA 0.839 54.962 54.000 0.204 0.000 0.852 68 D CB 0.092 41.010 40.800 0.197 0.000 0.947 68 D HN 0.211 nan 8.370 nan 0.000 0.494 69 K N 0.690 121.164 120.400 0.124 0.000 2.103 69 K HA -0.140 4.178 4.320 -0.003 0.000 0.207 69 K C 2.141 178.815 176.600 0.123 0.000 1.048 69 K CA 0.892 57.244 56.287 0.107 0.000 0.930 69 K CB 0.208 32.765 32.500 0.095 0.000 0.716 69 K HN -0.073 nan 8.250 nan 0.000 0.444 70 R N -0.356 120.218 120.500 0.124 0.000 2.062 70 R HA 0.026 4.365 4.340 -0.003 0.000 0.226 70 R C 2.057 178.475 176.300 0.197 0.000 1.125 70 R CA 1.151 57.348 56.100 0.162 0.000 0.966 70 R CB -0.191 30.172 30.300 0.105 0.000 0.861 70 R HN 0.185 nan 8.270 nan 0.000 0.433 71 A N -0.221 122.641 122.820 0.071 0.000 2.070 71 A HA -0.104 4.214 4.320 -0.003 0.000 0.220 71 A C 2.003 179.693 177.584 0.177 0.000 1.159 71 A CA 1.700 53.776 52.037 0.065 0.000 0.656 71 A CB -0.357 18.679 19.000 0.060 0.000 0.800 71 A HN 0.362 nan 8.150 nan 0.000 0.453 72 S N -0.433 115.362 115.700 0.158 0.000 2.428 72 S HA -0.050 4.419 4.470 -0.003 0.000 0.230 72 S C 0.969 175.657 174.600 0.147 0.000 1.014 72 S CA 0.060 58.339 58.200 0.132 0.000 0.957 72 S CB -0.187 63.072 63.200 0.099 0.000 0.784 72 S HN 0.697 nan 8.310 nan 0.000 0.499 73 Q N 1.392 121.307 119.800 0.191 0.000 2.320 73 Q HA -0.042 4.296 4.340 -0.003 0.000 0.311 73 Q C -1.717 174.345 176.000 0.103 0.000 1.083 73 Q CA -0.782 55.102 55.803 0.135 0.000 1.001 73 Q CB 0.471 29.284 28.738 0.124 0.000 1.074 73 Q HN 0.167 nan 8.270 nan 0.000 0.379 74 P HA -0.234 nan 4.420 nan 0.000 0.217 74 P C 1.243 178.558 177.300 0.024 0.000 1.151 74 P CA 0.858 63.983 63.100 0.043 0.000 0.849 74 P CB 0.094 31.810 31.700 0.027 0.000 0.787 75 V N -1.300 118.584 119.914 -0.050 0.000 2.324 75 V HA -0.292 3.827 4.120 -0.003 0.000 0.250 75 V C 1.865 177.906 176.094 -0.088 0.000 1.060 75 V CA 1.965 64.213 62.300 -0.086 0.000 1.042 75 V CB -1.225 30.505 31.823 -0.155 0.000 0.650 75 V HN 0.032 nan 8.190 nan 0.000 0.450 76 Y N 0.207 120.544 120.300 0.062 0.000 2.421 76 Y HA 0.058 4.607 4.550 -0.003 0.000 0.292 76 Y C 1.861 177.785 175.900 0.041 0.000 1.136 76 Y CA 0.733 58.862 58.100 0.047 0.000 1.255 76 Y CB -0.536 37.951 38.460 0.046 0.000 0.991 76 Y HN 0.431 nan 8.280 nan 0.000 0.552 77 Q N -0.030 119.874 119.800 0.173 0.000 2.487 77 Q HA -0.332 4.007 4.340 -0.003 0.000 0.279 77 Q C -0.455 175.617 176.000 0.121 0.000 1.228 77 Q CA 0.520 56.392 55.803 0.114 0.000 0.873 77 Q CB -1.804 26.979 28.738 0.075 0.000 1.260 77 Q HN 0.483 nan 8.270 nan 0.000 0.471 78 Q N -1.922 117.967 119.800 0.149 0.000 2.439 78 Q HA -0.230 4.108 4.340 -0.003 0.000 0.325 78 Q C 0.828 176.905 176.000 0.128 0.000 1.372 78 Q CA 2.009 57.891 55.803 0.132 0.000 0.909 78 Q CB -1.849 26.946 28.738 0.096 0.000 1.167 78 Q HN 1.021 nan 8.270 nan 0.000 0.418 79 G N -1.210 107.665 108.800 0.125 0.000 2.153 79 G HA2 -0.360 3.598 3.960 -0.003 0.000 0.252 79 G HA3 -0.360 3.598 3.960 -0.003 0.000 0.252 79 G C 0.581 175.531 174.900 0.083 0.000 0.994 79 G CA 0.475 45.632 45.100 0.094 0.000 0.698 79 G HN 0.368 nan 8.290 nan 0.000 0.521 80 Q N -1.011 118.841 119.800 0.087 0.000 2.378 80 Q HA 0.432 4.771 4.340 -0.003 0.000 0.229 80 Q C 2.797 178.832 176.000 0.058 0.000 0.882 80 Q CA 1.151 56.993 55.803 0.066 0.000 0.936 80 Q CB -0.073 28.700 28.738 0.057 0.000 1.092 80 Q HN 0.766 nan 8.270 nan 0.000 0.535 81 A N 0.522 123.383 122.820 0.069 0.000 1.859 81 A HA -0.176 4.142 4.320 -0.003 0.000 0.217 81 A C 1.464 179.076 177.584 0.047 0.000 1.198 81 A CA 1.590 53.656 52.037 0.048 0.000 0.629 81 A CB -0.533 18.500 19.000 0.056 0.000 0.830 81 A HN 0.417 nan 8.150 nan 0.000 0.446 82 C N -0.743 118.597 119.300 0.067 0.000 2.508 82 C HA 0.451 4.909 4.460 -0.003 0.000 0.330 82 C C 1.694 176.728 174.990 0.074 0.000 1.435 82 C CA 0.071 59.135 59.018 0.076 0.000 1.712 82 C CB -1.419 26.371 27.740 0.084 0.000 2.741 82 C HN 0.626 nan 8.230 nan 0.000 0.562 83 T N 0.509 115.101 114.554 0.064 0.000 3.113 83 T HA -0.001 4.347 4.350 -0.003 0.000 0.256 83 T C 1.191 175.929 174.700 0.063 0.000 1.131 83 T CA 1.521 63.656 62.100 0.059 0.000 1.074 83 T CB -0.314 68.584 68.868 0.049 0.000 0.944 83 T HN 0.745 nan 8.240 nan 0.000 0.516 84 N N -0.208 118.536 118.700 0.073 0.000 2.168 84 N HA 0.112 4.850 4.740 -0.003 0.000 0.216 84 N C -0.103 175.470 175.510 0.106 0.000 1.259 84 N CA -0.102 52.995 53.050 0.078 0.000 0.902 84 N CB 0.942 39.466 38.487 0.063 0.000 1.079 84 N HN 0.284 nan 8.380 nan 0.000 0.507 85 T N -0.375 114.254 114.554 0.126 0.000 2.907 85 T HA 0.370 4.718 4.350 -0.003 0.000 0.298 85 T C -0.199 174.585 174.700 0.140 0.000 1.017 85 T CA -0.306 61.890 62.100 0.159 0.000 1.118 85 T CB 1.520 70.499 68.868 0.185 0.000 0.948 85 T HN -0.092 nan 8.240 nan 0.000 0.531 86 K N 1.503 121.997 120.400 0.157 0.000 2.270 86 K HA 0.612 4.931 4.320 -0.003 0.000 0.255 86 K C -0.998 175.733 176.600 0.219 0.000 0.936 86 K CA -0.805 55.599 56.287 0.196 0.000 0.809 86 K CB 1.760 34.353 32.500 0.155 0.000 1.131 86 K HN 0.655 nan 8.250 nan 0.000 0.427 87 C N 2.643 122.077 119.300 0.224 0.000 2.411 87 C HA 0.558 5.017 4.460 -0.003 0.000 0.330 87 C C -0.642 174.388 174.990 0.066 0.000 1.224 87 C CA -0.899 58.173 59.018 0.091 0.000 1.770 87 C CB 0.423 28.164 27.740 0.001 0.000 2.297 87 C HN 0.716 nan 8.230 nan 0.000 0.507 88 L N 3.139 124.196 121.223 -0.276 0.000 2.341 88 L HA 0.790 5.129 4.340 -0.003 0.000 0.278 88 L C -0.735 175.903 176.870 -0.387 0.000 1.005 88 L CA 0.026 54.588 54.840 -0.463 0.000 0.818 88 L CB 1.452 42.796 42.059 -1.192 0.000 1.259 88 L HN 0.573 nan 8.230 nan 0.000 0.418 89 V N 4.971 124.705 119.914 -0.301 0.000 2.555 89 V HA 0.517 4.635 4.120 -0.003 0.000 0.302 89 V C -0.507 175.410 176.094 -0.295 0.000 1.038 89 V CA -0.841 61.291 62.300 -0.280 0.000 0.887 89 V CB 1.800 33.492 31.823 -0.219 0.000 0.991 89 V HN 0.439 nan 8.190 nan 0.000 0.434 90 V N 3.082 122.804 119.914 -0.320 0.000 2.328 90 V HA 0.919 5.037 4.120 -0.003 0.000 0.278 90 V C 0.556 176.523 176.094 -0.211 0.000 1.021 90 V CA 0.207 62.328 62.300 -0.298 0.000 0.838 90 V CB 0.613 32.180 31.823 -0.427 0.000 0.999 90 V HN 1.370 nan 8.190 nan 0.000 0.447 91 G N 3.813 112.503 108.800 -0.183 0.000 3.239 91 G HA2 0.341 4.299 3.960 -0.003 0.000 0.666 91 G HA3 0.341 4.299 3.960 -0.003 0.000 0.666 91 G C -0.150 174.671 174.900 -0.131 0.000 1.313 91 G CA -0.274 44.746 45.100 -0.132 0.000 1.001 91 G HN 1.320 nan 8.290 nan 0.000 0.573 92 A N 1.345 124.118 122.820 -0.077 0.000 2.532 92 A HA 0.717 5.035 4.320 -0.003 0.000 0.273 92 A C 1.439 179.019 177.584 -0.006 0.000 1.342 92 A CA 1.111 53.144 52.037 -0.006 0.000 0.929 92 A CB -0.227 18.863 19.000 0.150 0.000 1.051 92 A HN 2.065 nan 8.150 nan 0.000 0.521 93 G N -0.257 108.508 108.800 -0.059 0.000 2.562 93 G HA2 0.421 4.379 3.960 -0.003 0.000 0.275 93 G HA3 0.421 4.379 3.960 -0.003 0.000 0.275 93 G C -1.336 173.493 174.900 -0.119 0.000 1.196 93 G CA -1.142 43.900 45.100 -0.097 0.000 0.908 93 G HN 0.090 nan 8.290 nan 0.000 0.524 94 P HA -0.135 nan 4.420 nan 0.000 0.216 94 P C 1.879 179.204 177.300 0.041 0.000 1.157 94 P CA 1.453 64.529 63.100 -0.039 0.000 0.880 94 P CB 0.098 31.791 31.700 -0.010 0.000 0.791 95 C N -1.377 117.951 119.300 0.046 0.000 2.466 95 C HA 0.042 4.500 4.460 -0.003 0.000 0.278 95 C C 2.970 177.896 174.990 -0.106 0.000 1.288 95 C CA 1.031 60.050 59.018 0.001 0.000 1.722 95 C CB -2.031 25.723 27.740 0.023 0.000 2.017 95 C HN 0.285 nan 8.230 nan 0.000 0.488 96 G N 0.947 109.687 108.800 -0.100 0.000 2.469 96 G HA2 -0.196 3.762 3.960 -0.003 0.000 0.219 96 G HA3 -0.196 3.762 3.960 -0.003 0.000 0.219 96 G C 1.541 176.355 174.900 -0.143 0.000 1.150 96 G CA 0.937 45.961 45.100 -0.127 0.000 0.763 96 G HN 0.534 nan 8.290 nan 0.000 0.561 97 L N -0.543 120.596 121.223 -0.140 0.000 2.044 97 L HA 0.108 4.446 4.340 -0.003 0.000 0.205 97 L C 2.827 179.596 176.870 -0.168 0.000 1.075 97 L CA 1.097 55.850 54.840 -0.145 0.000 0.747 97 L CB -0.377 41.602 42.059 -0.134 0.000 0.903 97 L HN 0.101 nan 8.230 nan 0.000 0.435 98 R N 0.803 121.167 120.500 -0.226 0.000 2.083 98 R HA -0.177 4.161 4.340 -0.003 0.000 0.237 98 R C 2.234 178.404 176.300 -0.217 0.000 1.137 98 R CA 1.824 57.723 56.100 -0.335 0.000 0.951 98 R CB -0.751 29.049 30.300 -0.832 0.000 0.851 98 R HN 0.334 nan 8.270 nan 0.000 0.434 99 A N 0.241 122.948 122.820 -0.189 0.000 1.883 99 A HA -0.135 4.184 4.320 -0.003 0.000 0.217 99 A C 2.423 179.964 177.584 -0.072 0.000 1.186 99 A CA 2.135 54.114 52.037 -0.096 0.000 0.624 99 A CB -1.279 17.658 19.000 -0.104 0.000 0.822 99 A HN 0.530 nan 8.150 nan 0.000 0.444 100 A N -0.651 122.105 122.820 -0.107 0.000 1.908 100 A HA -0.038 4.281 4.320 -0.003 0.000 0.218 100 A C 2.238 179.768 177.584 -0.091 0.000 1.181 100 A CA 1.893 53.868 52.037 -0.103 0.000 0.627 100 A CB -1.030 17.892 19.000 -0.130 0.000 0.818 100 A HN 0.448 nan 8.150 nan 0.000 0.445 101 V N 0.343 120.196 119.914 -0.101 0.000 2.287 101 V HA -0.248 3.870 4.120 -0.003 0.000 0.248 101 V C 2.572 178.617 176.094 -0.083 0.000 1.053 101 V CA 2.239 64.478 62.300 -0.103 0.000 1.027 101 V CB -0.726 31.034 31.823 -0.106 0.000 0.646 101 V HN 0.528 nan 8.190 nan 0.000 0.447 102 E N 0.002 120.195 120.200 -0.012 0.000 2.106 102 E HA -0.126 4.223 4.350 -0.003 0.000 0.192 102 E C 2.180 178.823 176.600 0.072 0.000 0.984 102 E CA 1.004 57.453 56.400 0.082 0.000 0.806 102 E CB -0.335 29.483 29.700 0.198 0.000 0.750 102 E HN 0.540 nan 8.360 nan 0.000 0.458 103 L N 0.327 121.563 121.223 0.023 0.000 2.093 103 L HA -0.110 4.228 4.340 -0.003 0.000 0.208 103 L C 2.474 179.339 176.870 -0.008 0.000 1.085 103 L CA 1.111 55.961 54.840 0.016 0.000 0.755 103 L CB -0.468 41.583 42.059 -0.014 0.000 0.904 103 L HN 0.046 nan 8.230 nan 0.000 0.435 104 A N 0.076 122.864 122.820 -0.054 0.000 1.897 104 A HA -0.109 4.209 4.320 -0.003 0.000 0.215 104 A C 2.238 179.753 177.584 -0.115 0.000 1.181 104 A CA 1.162 53.152 52.037 -0.078 0.000 0.620 104 A CB -0.643 18.295 19.000 -0.104 0.000 0.821 104 A HN 0.328 nan 8.150 nan 0.000 0.443 105 L N -0.611 120.487 121.223 -0.207 0.000 2.131 105 L HA -0.138 4.200 4.340 -0.003 0.000 0.210 105 L C 2.370 179.087 176.870 -0.254 0.000 1.092 105 L CA 0.768 55.360 54.840 -0.414 0.000 0.759 105 L CB -0.391 41.117 42.059 -0.917 0.000 0.903 105 L HN 0.366 nan 8.230 nan 0.000 0.435 106 L N -0.771 120.457 121.223 0.009 0.000 2.291 106 L HA -0.040 4.299 4.340 -0.003 0.000 0.214 106 L C 1.562 178.491 176.870 0.098 0.000 1.120 106 L CA 1.015 55.969 54.840 0.190 0.000 0.799 106 L CB -0.317 41.863 42.059 0.200 0.000 0.925 106 L HN 0.519 nan 8.230 nan 0.000 0.446 107 G N -1.188 107.637 108.800 0.041 0.000 2.192 107 G HA2 -0.155 3.803 3.960 -0.003 0.000 0.193 107 G HA3 -0.155 3.803 3.960 -0.003 0.000 0.193 107 G C 0.297 175.221 174.900 0.041 0.000 0.999 107 G CA -0.195 44.927 45.100 0.037 0.000 0.659 107 G HN 0.448 nan 8.290 nan 0.000 0.503 108 A N -0.011 122.835 122.820 0.044 0.000 2.366 108 A HA 0.752 5.070 4.320 -0.003 0.000 0.249 108 A C 0.717 178.332 177.584 0.052 0.000 1.084 108 A CA 0.485 52.557 52.037 0.057 0.000 0.794 108 A CB 0.302 19.337 19.000 0.059 0.000 1.034 108 A HN 1.060 nan 8.150 nan 0.000 0.491 109 R N 0.920 121.472 120.500 0.087 0.000 2.370 109 R HA 0.386 4.724 4.340 -0.003 0.000 0.309 109 R C -1.334 175.025 176.300 0.099 0.000 1.059 109 R CA 0.287 56.450 56.100 0.106 0.000 0.981 109 R CB 0.015 30.429 30.300 0.189 0.000 0.972 109 R HN 0.383 nan 8.270 nan 0.000 0.437 110 V N 5.987 125.912 119.914 0.018 0.000 2.349 110 V HA 0.337 4.455 4.120 -0.003 0.000 0.284 110 V C -0.566 175.449 176.094 -0.131 0.000 1.014 110 V CA -0.892 61.385 62.300 -0.038 0.000 0.826 110 V CB 1.519 33.302 31.823 -0.066 0.000 1.009 110 V HN 0.530 nan 8.190 nan 0.000 0.431 111 V N 6.319 126.122 119.914 -0.186 0.000 2.435 111 V HA 0.553 4.672 4.120 -0.003 0.000 0.290 111 V C -0.332 175.600 176.094 -0.270 0.000 1.030 111 V CA -0.516 61.577 62.300 -0.345 0.000 0.881 111 V CB 1.918 33.299 31.823 -0.737 0.000 0.983 111 V HN 0.737 nan 8.190 nan 0.000 0.445 112 L N 6.384 127.428 121.223 -0.299 0.000 2.381 112 L HA 0.780 5.119 4.340 -0.003 0.000 0.274 112 L C -0.599 176.097 176.870 -0.290 0.000 0.988 112 L CA -0.570 54.099 54.840 -0.285 0.000 0.824 112 L CB 1.966 43.846 42.059 -0.299 0.000 1.263 112 L HN 0.600 nan 8.230 nan 0.000 0.410 113 V N 1.067 120.849 119.914 -0.221 0.000 2.547 113 V HA 0.823 4.942 4.120 -0.003 0.000 0.299 113 V C -0.816 175.143 176.094 -0.225 0.000 1.040 113 V CA -0.503 61.697 62.300 -0.168 0.000 0.913 113 V CB 1.661 33.468 31.823 -0.027 0.000 0.992 113 V HN 0.824 nan 8.190 nan 0.000 0.449 114 E N 2.823 122.882 120.200 -0.235 0.000 2.274 114 E HA 0.323 4.671 4.350 -0.003 0.000 0.269 114 E C 0.480 177.057 176.600 -0.038 0.000 0.891 114 E CA -0.383 55.901 56.400 -0.194 0.000 0.784 114 E CB 2.156 31.614 29.700 -0.404 0.000 1.225 114 E HN 0.826 nan 8.360 nan 0.000 0.412 115 K N 3.968 124.361 120.400 -0.012 0.000 2.097 115 K HA -0.024 4.295 4.320 -0.003 0.000 0.206 115 K C 0.212 176.853 176.600 0.069 0.000 1.049 115 K CA 0.834 57.133 56.287 0.019 0.000 0.933 115 K CB 0.214 32.708 32.500 -0.011 0.000 0.717 115 K HN 0.417 nan 8.250 nan 0.000 0.442 116 R N 0.135 120.701 120.500 0.110 0.000 2.700 116 R HA 0.329 4.667 4.340 -0.003 0.000 0.253 116 R C 0.888 177.312 176.300 0.207 0.000 1.091 116 R CA -0.240 55.936 56.100 0.127 0.000 1.104 116 R CB 0.845 31.212 30.300 0.111 0.000 1.202 116 R HN 0.313 nan 8.270 nan 0.000 0.532 117 I N -2.774 117.848 120.570 0.086 0.000 3.817 117 I HA 0.440 4.609 4.170 -0.003 0.000 0.325 117 I C -0.620 175.354 176.117 -0.239 0.000 1.550 117 I CA -0.239 61.041 61.300 -0.034 0.000 1.100 117 I CB 0.480 38.451 38.000 -0.048 0.000 1.216 117 I HN 0.215 nan 8.210 nan 0.000 0.481 118 K N 0.931 121.214 120.400 -0.196 0.000 2.572 118 K HA 0.453 4.771 4.320 -0.003 0.000 0.263 118 K C -1.687 174.841 176.600 -0.120 0.000 0.932 118 K CA -0.585 55.542 56.287 -0.267 0.000 0.838 118 K CB 2.250 34.666 32.500 -0.140 0.000 1.366 118 K HN -0.118 nan 8.250 nan 0.000 0.425 119 F N 2.006 121.922 119.950 -0.057 0.000 2.375 119 F HA 0.167 4.692 4.527 -0.003 0.000 0.362 119 F C 1.312 177.048 175.800 -0.106 0.000 1.129 119 F CA -0.578 57.386 58.000 -0.060 0.000 1.154 119 F CB 1.136 40.099 39.000 -0.063 0.000 1.205 119 F HN 0.571 nan 8.300 nan 0.000 0.513 120 S N 1.611 117.336 115.700 0.043 0.000 2.604 120 S HA 0.248 4.716 4.470 -0.003 0.000 0.235 120 S C 0.532 174.923 174.600 -0.349 0.000 1.043 120 S CA -0.555 57.565 58.200 -0.134 0.000 0.997 120 S CB 0.113 63.263 63.200 -0.082 0.000 0.956 120 S HN 0.463 nan 8.310 nan 0.000 0.535 121 R N 1.965 122.334 120.500 -0.219 0.000 2.370 121 R HA 0.252 4.591 4.340 -0.003 0.000 0.309 121 R C 0.101 176.239 176.300 -0.269 0.000 1.059 121 R CA -0.150 55.813 56.100 -0.228 0.000 0.981 121 R CB 0.126 30.347 30.300 -0.132 0.000 0.972 121 R HN 0.402 nan 8.270 nan 0.000 0.437 122 H N 0.834 119.884 119.070 -0.034 0.000 2.539 122 H HA 0.087 4.641 4.556 -0.003 0.000 0.269 122 H C -0.065 175.177 175.328 -0.143 0.000 0.980 122 H CA -0.039 55.974 56.048 -0.059 0.000 1.152 122 H CB 0.233 29.998 29.762 0.005 0.000 1.407 122 H HN 0.419 nan 8.280 nan 0.000 0.564 123 N N 1.684 120.319 118.700 -0.108 0.000 2.468 123 N HA -0.008 4.731 4.740 -0.003 0.000 0.265 123 N C -0.098 175.053 175.510 -0.598 0.000 1.199 123 N CA 0.091 52.946 53.050 -0.325 0.000 0.928 123 N CB 1.894 40.228 38.487 -0.256 0.000 1.059 123 N HN -0.084 nan 8.380 nan 0.000 0.467 124 V N 4.390 123.621 119.914 -1.139 0.000 2.455 124 V HA 0.177 4.296 4.120 -0.003 0.000 0.273 124 V C 0.662 176.343 176.094 -0.687 0.000 1.045 124 V CA -0.402 61.357 62.300 -0.901 0.000 0.976 124 V CB 0.307 31.533 31.823 -0.994 0.000 0.993 124 V HN 0.353 nan 8.190 nan 0.000 0.475 125 L N 4.451 125.377 121.223 -0.496 0.000 2.325 125 L HA 0.519 4.857 4.340 -0.003 0.000 0.279 125 L C -0.013 176.656 176.870 -0.335 0.000 1.054 125 L CA -0.703 53.918 54.840 -0.365 0.000 0.804 125 L CB 0.873 42.726 42.059 -0.343 0.000 1.200 125 L HN 0.615 nan 8.230 nan 0.000 0.436 126 H N 2.664 121.563 119.070 -0.285 0.000 2.548 126 H HA 0.531 5.086 4.556 -0.003 0.000 0.331 126 H C -0.922 174.323 175.328 -0.138 0.000 1.093 126 H CA -0.205 55.718 56.048 -0.207 0.000 1.367 126 H CB 0.819 30.582 29.762 0.002 0.000 1.455 126 H HN 0.399 nan 8.280 nan 0.000 0.519 127 L N 4.308 125.269 121.223 -0.436 0.000 2.331 127 L HA 0.284 4.623 4.340 -0.003 0.000 0.275 127 L C -0.547 176.345 176.870 0.038 0.000 1.022 127 L CA -1.048 53.645 54.840 -0.244 0.000 0.812 127 L CB 1.131 42.992 42.059 -0.330 0.000 1.257 127 L HN 0.551 nan 8.230 nan 0.000 0.435 128 W N 2.007 123.237 121.300 -0.116 0.000 2.303 128 W HA 0.327 4.985 4.660 -0.003 0.000 0.334 128 W C -1.299 175.196 176.519 -0.039 0.000 1.197 128 W CA -2.104 55.248 57.345 0.012 0.000 1.262 128 W CB -0.139 29.424 29.460 0.172 0.000 1.153 128 W HN 0.313 nan 8.180 nan 0.000 0.596 129 P HA -0.316 nan 4.420 nan 0.000 0.216 129 P C 1.646 179.041 177.300 0.157 0.000 1.154 129 P CA 1.997 65.168 63.100 0.119 0.000 0.865 129 P CB -0.244 31.499 31.700 0.073 0.000 0.789 130 F N 1.088 121.104 119.950 0.110 0.000 2.126 130 F HA -0.157 4.368 4.527 -0.003 0.000 0.299 130 F C 1.821 177.737 175.800 0.193 0.000 1.096 130 F CA 2.192 60.232 58.000 0.067 0.000 1.255 130 F CB -1.701 37.366 39.000 0.112 0.000 0.997 130 F HN -0.172 nan 8.300 nan 0.000 0.479 131 T N 1.934 116.088 114.554 -0.666 0.000 2.812 131 T HA -0.070 4.279 4.350 -0.003 0.000 0.264 131 T C 2.089 176.682 174.700 -0.178 0.000 1.042 131 T CA 1.828 63.514 62.100 -0.689 0.000 1.140 131 T CB -0.511 67.935 68.868 -0.703 0.000 0.870 131 T HN 0.345 nan 8.240 nan 0.000 0.445 132 I N 0.777 121.316 120.570 -0.051 0.000 2.127 132 I HA -0.260 3.908 4.170 -0.003 0.000 0.241 132 I C 2.677 178.899 176.117 0.174 0.000 1.075 132 I CA 1.574 62.934 61.300 0.101 0.000 1.334 132 I CB -0.536 37.486 38.000 0.037 0.000 1.040 132 I HN 0.319 nan 8.210 nan 0.000 0.405 133 H N 0.881 119.980 119.070 0.049 0.000 2.353 133 H HA -0.221 4.334 4.556 -0.003 0.000 0.300 133 H C 1.797 177.164 175.328 0.065 0.000 1.090 133 H CA 2.306 58.386 56.048 0.053 0.000 1.327 133 H CB -0.186 29.600 29.762 0.040 0.000 1.383 133 H HN 0.329 nan 8.280 nan 0.000 0.508 134 D N 0.065 120.637 120.400 0.287 0.000 2.104 134 D HA -0.140 4.499 4.640 -0.003 0.000 0.194 134 D C 2.673 179.077 176.300 0.174 0.000 0.994 134 D CA 1.312 55.480 54.000 0.281 0.000 0.830 134 D CB -0.249 40.733 40.800 0.303 0.000 0.959 134 D HN 0.365 nan 8.370 nan 0.000 0.452 135 L N -0.283 121.018 121.223 0.131 0.000 2.056 135 L HA -0.050 4.288 4.340 -0.003 0.000 0.207 135 L C 2.741 179.511 176.870 -0.167 0.000 1.078 135 L CA 0.844 55.706 54.840 0.037 0.000 0.749 135 L CB -0.381 41.759 42.059 0.135 0.000 0.901 135 L HN -0.006 nan 8.230 nan 0.000 0.433 136 R N 0.116 120.498 120.500 -0.196 0.000 2.105 136 R HA -0.167 4.171 4.340 -0.003 0.000 0.239 136 R C 2.234 178.406 176.300 -0.213 0.000 1.135 136 R CA 1.525 57.451 56.100 -0.290 0.000 0.967 136 R CB -0.410 29.745 30.300 -0.242 0.000 0.861 136 R HN 0.375 nan 8.270 nan 0.000 0.442 137 A N 0.260 123.003 122.820 -0.129 0.000 2.123 137 A HA 0.042 4.361 4.320 -0.003 0.000 0.214 137 A C 1.827 179.419 177.584 0.014 0.000 1.152 137 A CA 0.507 52.519 52.037 -0.042 0.000 0.728 137 A CB 0.018 19.071 19.000 0.089 0.000 0.814 137 A HN 0.166 nan 8.150 nan 0.000 0.464 138 L N -1.255 119.980 121.223 0.019 0.000 2.591 138 L HA 0.231 4.570 4.340 -0.003 0.000 0.228 138 L C 1.438 178.362 176.870 0.090 0.000 1.133 138 L CA 0.642 55.517 54.840 0.058 0.000 0.880 138 L CB 0.137 42.235 42.059 0.065 0.000 1.033 138 L HN 0.530 nan 8.230 nan 0.000 0.450 139 G N -0.506 108.280 108.800 -0.023 0.000 2.140 139 G HA2 -0.261 3.697 3.960 -0.003 0.000 0.211 139 G HA3 -0.261 3.697 3.960 -0.003 0.000 0.211 139 G C 0.959 175.764 174.900 -0.157 0.000 1.013 139 G CA 0.229 45.256 45.100 -0.122 0.000 0.705 139 G HN 0.336 nan 8.290 nan 0.000 0.508 140 A N -0.051 122.663 122.820 -0.177 0.000 2.032 140 A HA -0.030 4.288 4.320 -0.003 0.000 0.221 140 A C 2.234 179.649 177.584 -0.281 0.000 1.165 140 A CA 2.591 54.478 52.037 -0.250 0.000 0.645 140 A CB -0.289 18.192 19.000 -0.865 0.000 0.807 140 A HN 1.037 nan 8.150 nan 0.000 0.453 141 K N 0.411 120.593 120.400 -0.362 0.000 2.009 141 K HA -0.199 4.119 4.320 -0.003 0.000 0.210 141 K C 1.944 178.399 176.600 -0.242 0.000 1.049 141 K CA 2.275 58.406 56.287 -0.261 0.000 0.929 141 K CB -0.342 32.019 32.500 -0.233 0.000 0.714 141 K HN 0.255 nan 8.250 nan 0.000 0.440 142 K N -0.218 119.942 120.400 -0.400 0.000 2.009 142 K HA -0.086 4.232 4.320 -0.003 0.000 0.210 142 K C 1.831 178.175 176.600 -0.427 0.000 1.049 142 K CA 1.973 57.960 56.287 -0.500 0.000 0.929 142 K CB -0.530 31.504 32.500 -0.776 0.000 0.714 142 K HN 0.235 nan 8.250 nan 0.000 0.440 143 F N -1.561 118.316 119.950 -0.122 0.000 2.365 143 F HA 0.042 4.568 4.527 -0.003 0.000 0.300 143 F C 0.525 176.343 175.800 0.029 0.000 1.090 143 F CA 0.427 58.359 58.000 -0.112 0.000 1.408 143 F CB -0.197 38.714 39.000 -0.149 0.000 1.060 143 F HN -0.035 nan 8.300 nan 0.000 0.534 144 Y N -0.003 120.304 120.300 0.012 0.000 2.287 144 Y HA 0.507 5.056 4.550 -0.003 0.000 0.325 144 Y C 0.693 176.608 175.900 0.025 0.000 1.139 144 Y CA -1.716 56.406 58.100 0.037 0.000 1.167 144 Y CB 1.162 39.683 38.460 0.101 0.000 1.158 144 Y HN -0.055 nan 8.280 nan 0.000 0.434 145 G N 3.748 112.454 108.800 -0.156 0.000 2.394 145 G HA2 -0.163 3.795 3.960 -0.003 0.000 0.215 145 G HA3 -0.163 3.795 3.960 -0.003 0.000 0.215 145 G C 1.050 175.727 174.900 -0.371 0.000 1.165 145 G CA -0.021 44.953 45.100 -0.210 0.000 0.784 145 G HN 0.510 nan 8.290 nan 0.000 0.535 146 R N -0.188 119.911 120.500 -0.668 0.000 3.385 146 R HA 0.220 4.559 4.340 -0.003 0.000 0.236 146 R C -0.460 175.324 176.300 -0.859 0.000 1.663 146 R CA -0.596 55.117 56.100 -0.644 0.000 1.444 146 R CB -0.721 29.331 30.300 -0.413 0.000 1.218 146 R HN 0.232 nan 8.270 nan 0.000 0.575 147 F N -0.504 118.957 119.950 -0.816 0.000 2.380 147 F HA 0.152 4.677 4.527 -0.003 0.000 0.325 147 F C 0.583 176.238 175.800 -0.242 0.000 1.136 147 F CA -0.775 56.988 58.000 -0.396 0.000 1.171 147 F CB 0.658 39.554 39.000 -0.174 0.000 1.230 147 F HN 0.069 nan 8.300 nan 0.000 0.554 148 C N 3.728 122.498 119.300 -0.883 0.000 0.666 148 C HA -0.127 4.332 4.460 -0.003 0.000 0.543 148 C C 0.589 175.415 174.990 -0.274 0.000 1.195 148 C CA 0.693 59.348 59.018 -0.605 0.000 2.021 148 C CB -2.586 24.776 27.740 -0.631 0.000 3.550 148 C HN 0.713 nan 8.230 nan 0.000 0.559 149 T N 1.676 116.067 114.554 -0.272 0.000 2.807 149 T HA 0.586 4.934 4.350 -0.003 0.000 0.279 149 T C 0.897 175.510 174.700 -0.146 0.000 0.993 149 T CA 1.284 63.283 62.100 -0.169 0.000 0.970 149 T CB 1.382 70.158 68.868 -0.153 0.000 0.950 149 T HN 1.513 nan 8.240 nan 0.000 0.441 150 G N 3.765 112.505 108.800 -0.099 0.000 3.377 150 G HA2 -0.335 3.624 3.960 -0.003 0.000 0.304 150 G HA3 -0.335 3.624 3.960 -0.003 0.000 0.304 150 G C 0.829 175.681 174.900 -0.080 0.000 1.366 150 G CA 1.388 46.443 45.100 -0.076 0.000 1.020 150 G HN 1.634 nan 8.290 nan 0.000 0.621 151 T N -0.990 113.508 114.554 -0.094 0.000 3.209 151 T HA 0.646 4.994 4.350 -0.003 0.000 0.295 151 T C 0.759 175.370 174.700 -0.149 0.000 0.977 151 T CA 0.217 62.262 62.100 -0.092 0.000 0.922 151 T CB 0.081 68.920 68.868 -0.048 0.000 1.152 151 T HN 0.610 nan 8.240 nan 0.000 0.527 152 L N 3.192 124.271 121.223 -0.240 0.000 2.416 152 L HA 0.381 4.720 4.340 -0.003 0.000 0.272 152 L C -0.133 176.426 176.870 -0.518 0.000 1.161 152 L CA -0.218 54.356 54.840 -0.443 0.000 0.845 152 L CB 0.380 42.050 42.059 -0.649 0.000 1.119 152 L HN 0.356 nan 8.230 nan 0.000 0.464 153 D N 0.757 120.806 120.400 -0.585 0.000 2.963 153 D HA 0.260 4.898 4.640 -0.003 0.000 0.361 153 D C -0.521 175.369 176.300 -0.683 0.000 1.317 153 D CA -0.466 53.194 54.000 -0.567 0.000 0.832 153 D CB 0.122 40.664 40.800 -0.431 0.000 1.135 153 D HN 0.573 nan 8.370 nan 0.000 0.476 154 H N -1.540 117.185 119.070 -0.575 0.000 3.046 154 H HA 0.751 5.306 4.556 -0.003 0.000 0.361 154 H C -1.685 173.344 175.328 -0.498 0.000 1.235 154 H CA -1.269 54.410 56.048 -0.615 0.000 1.146 154 H CB 1.286 30.557 29.762 -0.818 0.000 1.859 154 H HN 0.112 nan 8.280 nan 0.000 0.548 155 I N 1.509 121.946 120.570 -0.222 0.000 2.775 155 I HA 0.404 4.573 4.170 -0.003 0.000 0.295 155 I C -0.691 175.266 176.117 -0.266 0.000 1.287 155 I CA -0.633 60.557 61.300 -0.183 0.000 1.029 155 I CB 2.106 40.000 38.000 -0.177 0.000 1.282 155 I HN 1.003 nan 8.210 nan 0.000 0.426 156 S N 6.236 121.799 115.700 -0.229 0.000 2.576 156 S HA 0.301 4.770 4.470 -0.003 0.000 0.276 156 S C 1.275 175.722 174.600 -0.254 0.000 1.339 156 S CA -0.538 57.508 58.200 -0.256 0.000 1.039 156 S CB 0.969 64.073 63.200 -0.160 0.000 0.902 156 S HN 0.582 nan 8.310 nan 0.000 0.516 157 I N 1.790 122.200 120.570 -0.266 0.000 2.208 157 I HA -0.275 3.894 4.170 -0.003 0.000 0.245 157 I C 2.772 178.722 176.117 -0.279 0.000 1.097 157 I CA 1.798 62.936 61.300 -0.270 0.000 1.363 157 I CB -0.712 37.133 38.000 -0.259 0.000 1.051 157 I HN 0.790 nan 8.210 nan 0.000 0.413 158 R N 0.829 121.194 120.500 -0.225 0.000 2.115 158 R HA -0.109 4.229 4.340 -0.003 0.000 0.226 158 R C 2.037 178.185 176.300 -0.254 0.000 1.100 158 R CA 0.793 56.765 56.100 -0.213 0.000 0.980 158 R CB -0.521 29.742 30.300 -0.061 0.000 0.875 158 R HN 0.326 nan 8.270 nan 0.000 0.445 159 Q N 1.055 120.691 119.800 -0.274 0.000 2.124 159 Q HA -0.093 4.245 4.340 -0.003 0.000 0.202 159 Q C 2.105 177.855 176.000 -0.417 0.000 0.977 159 Q CA 1.021 56.562 55.803 -0.438 0.000 0.850 159 Q CB -0.261 28.098 28.738 -0.632 0.000 0.901 159 Q HN 0.298 nan 8.270 nan 0.000 0.429 160 L N 0.948 121.980 121.223 -0.318 0.000 2.093 160 L HA -0.139 4.199 4.340 -0.003 0.000 0.208 160 L C 2.113 178.808 176.870 -0.291 0.000 1.085 160 L CA 1.691 56.388 54.840 -0.239 0.000 0.755 160 L CB -0.423 41.512 42.059 -0.206 0.000 0.904 160 L HN 0.155 nan 8.230 nan 0.000 0.435 161 Q N -0.921 118.616 119.800 -0.437 0.000 2.079 161 Q HA -0.158 4.180 4.340 -0.003 0.000 0.200 161 Q C 2.257 177.901 176.000 -0.593 0.000 0.974 161 Q CA 1.759 57.135 55.803 -0.711 0.000 0.840 161 Q CB -0.193 27.726 28.738 -1.364 0.000 0.898 161 Q HN 0.503 nan 8.270 nan 0.000 0.430 162 L N 0.457 121.449 121.223 -0.385 0.000 1.989 162 L HA -0.234 4.104 4.340 -0.003 0.000 0.211 162 L C 2.450 179.170 176.870 -0.251 0.000 1.071 162 L CA 1.083 55.840 54.840 -0.139 0.000 0.749 162 L CB -0.749 41.242 42.059 -0.113 0.000 0.890 162 L HN 0.322 nan 8.230 nan 0.000 0.431 163 L N -1.347 119.692 121.223 -0.306 0.000 2.056 163 L HA -0.140 4.198 4.340 -0.003 0.000 0.207 163 L C 2.254 178.870 176.870 -0.422 0.000 1.078 163 L CA 1.639 56.238 54.840 -0.401 0.000 0.749 163 L CB -0.784 41.154 42.059 -0.201 0.000 0.901 163 L HN 0.070 nan 8.230 nan 0.000 0.433 164 L N -0.850 120.215 121.223 -0.263 0.000 2.093 164 L HA -0.140 4.198 4.340 -0.003 0.000 0.208 164 L C 2.587 179.339 176.870 -0.198 0.000 1.085 164 L CA 0.919 55.636 54.840 -0.205 0.000 0.755 164 L CB -0.572 41.398 42.059 -0.147 0.000 0.904 164 L HN 0.390 nan 8.230 nan 0.000 0.435 165 L N 0.199 121.327 121.223 -0.159 0.000 1.989 165 L HA -0.241 4.097 4.340 -0.003 0.000 0.211 165 L C 2.500 179.284 176.870 -0.143 0.000 1.071 165 L CA 1.907 56.720 54.840 -0.044 0.000 0.749 165 L CB -0.486 41.684 42.059 0.186 0.000 0.890 165 L HN 0.074 nan 8.230 nan 0.000 0.431 166 K N -1.071 119.148 120.400 -0.302 0.000 2.020 166 K HA -0.188 4.130 4.320 -0.003 0.000 0.212 166 K C 1.909 178.362 176.600 -0.245 0.000 1.050 166 K CA 1.965 58.025 56.287 -0.379 0.000 0.929 166 K CB -0.570 31.333 32.500 -0.996 0.000 0.714 166 K HN 0.277 nan 8.250 nan 0.000 0.443 167 V N 1.235 120.916 119.914 -0.389 0.000 2.332 167 V HA -0.287 3.832 4.120 -0.003 0.000 0.248 167 V C 2.343 178.372 176.094 -0.107 0.000 1.055 167 V CA 2.065 64.263 62.300 -0.169 0.000 1.038 167 V CB -0.805 30.927 31.823 -0.151 0.000 0.651 167 V HN 0.412 nan 8.190 nan 0.000 0.450 168 A N -0.107 122.629 122.820 -0.139 0.000 1.877 168 A HA -0.160 4.158 4.320 -0.003 0.000 0.216 168 A C 2.222 179.727 177.584 -0.132 0.000 1.186 168 A CA 1.892 53.853 52.037 -0.126 0.000 0.620 168 A CB -0.565 18.361 19.000 -0.122 0.000 0.822 168 A HN 0.497 nan 8.150 nan 0.000 0.443 169 L N -0.667 120.438 121.223 -0.197 0.000 2.017 169 L HA -0.189 4.149 4.340 -0.003 0.000 0.208 169 L C 2.550 179.272 176.870 -0.247 0.000 1.073 169 L CA 1.172 55.777 54.840 -0.391 0.000 0.745 169 L CB -0.580 40.915 42.059 -0.939 0.000 0.894 169 L HN 0.356 nan 8.230 nan 0.000 0.432 170 L N -0.525 120.646 121.223 -0.086 0.000 2.127 170 L HA -0.222 4.117 4.340 -0.003 0.000 0.211 170 L C 2.069 179.046 176.870 0.178 0.000 1.089 170 L CA 1.072 56.057 54.840 0.242 0.000 0.757 170 L CB -0.273 42.052 42.059 0.443 0.000 0.899 170 L HN 0.313 nan 8.230 nan 0.000 0.434 171 L N -0.419 120.803 121.223 -0.001 0.000 2.612 171 L HA 0.161 4.499 4.340 -0.003 0.000 0.230 171 L C 1.127 177.978 176.870 -0.033 0.000 1.140 171 L CA 0.290 55.075 54.840 -0.091 0.000 0.896 171 L CB -0.336 41.612 42.059 -0.186 0.000 1.065 171 L HN 0.440 nan 8.230 nan 0.000 0.447 172 G N 0.624 109.440 108.800 0.027 0.000 2.212 172 G HA2 -0.223 3.735 3.960 -0.003 0.000 0.255 172 G HA3 -0.223 3.735 3.960 -0.003 0.000 0.255 172 G C -0.027 174.863 174.900 -0.018 0.000 1.062 172 G CA -0.053 45.067 45.100 0.034 0.000 0.815 172 G HN 0.101 nan 8.290 nan 0.000 0.497 173 V N 0.158 120.041 119.914 -0.051 0.000 2.546 173 V HA 0.434 4.552 4.120 -0.003 0.000 0.284 173 V C 0.784 176.811 176.094 -0.112 0.000 1.050 173 V CA -0.348 61.896 62.300 -0.094 0.000 0.981 173 V CB 1.829 33.580 31.823 -0.120 0.000 0.990 173 V HN 0.483 nan 8.190 nan 0.000 0.474 174 E N 4.785 124.883 120.200 -0.169 0.000 2.167 174 E HA 0.481 4.830 4.350 -0.003 0.000 0.284 174 E C -1.153 175.200 176.600 -0.412 0.000 1.016 174 E CA -0.401 55.845 56.400 -0.257 0.000 0.817 174 E CB 0.798 30.328 29.700 -0.282 0.000 1.080 174 E HN 0.611 nan 8.360 nan 0.000 0.397 175 I N 4.763 125.080 120.570 -0.421 0.000 2.436 175 I HA 0.276 4.444 4.170 -0.003 0.000 0.289 175 I C -0.608 175.161 176.117 -0.579 0.000 1.010 175 I CA -0.921 60.077 61.300 -0.503 0.000 1.098 175 I CB 1.410 39.196 38.000 -0.358 0.000 1.266 175 I HN 0.490 nan 8.210 nan 0.000 0.434 176 H N 4.543 123.366 119.070 -0.411 0.000 2.505 176 H HA 0.339 4.893 4.556 -0.003 0.000 0.338 176 H C -1.245 173.844 175.328 -0.397 0.000 1.057 176 H CA -0.664 55.232 56.048 -0.254 0.000 1.202 176 H CB 1.493 31.174 29.762 -0.134 0.000 1.466 176 H HN 0.483 nan 8.280 nan 0.000 0.499 177 W N -0.267 121.090 121.300 0.094 0.000 2.576 177 W HA 0.430 5.089 4.660 -0.002 0.000 0.360 177 W C 0.948 177.475 176.519 0.014 0.000 1.109 177 W CA -0.593 56.764 57.345 0.020 0.000 1.237 177 W CB 0.882 30.329 29.460 -0.022 0.000 1.369 177 W HN 0.858 nan 8.180 nan 0.000 0.609 178 G N 0.692 109.648 108.800 0.261 0.000 2.379 178 G HA2 -0.065 3.893 3.960 -0.003 0.000 0.297 178 G HA3 -0.065 3.893 3.960 -0.003 0.000 0.297 178 G C -0.624 174.324 174.900 0.080 0.000 1.004 178 G CA 0.384 45.566 45.100 0.137 0.000 0.921 178 G HN 1.027 nan 8.290 nan 0.000 0.511 179 V N -3.381 116.568 119.914 0.058 0.000 2.483 179 V HA 0.733 4.851 4.120 -0.003 0.000 0.297 179 V C -0.013 176.090 176.094 0.015 0.000 1.027 179 V CA -1.726 60.591 62.300 0.029 0.000 0.855 179 V CB 1.923 33.759 31.823 0.022 0.000 0.995 179 V HN 0.321 nan 8.190 nan 0.000 0.424 180 K N 4.311 124.714 120.400 0.005 0.000 2.253 180 K HA 0.441 4.759 4.320 -0.003 0.000 0.277 180 K C -0.724 175.879 176.600 0.005 0.000 1.053 180 K CA -0.725 55.554 56.287 -0.014 0.000 0.892 180 K CB 0.979 33.457 32.500 -0.037 0.000 1.102 180 K HN 0.779 nan 8.250 nan 0.000 0.469 181 F N 4.224 124.090 119.950 -0.141 0.000 2.543 181 F HA -0.008 4.517 4.527 -0.003 0.000 0.375 181 F C 1.017 176.729 175.800 -0.146 0.000 1.075 181 F CA 0.740 58.674 58.000 -0.110 0.000 1.225 181 F CB 0.892 39.816 39.000 -0.127 0.000 1.099 181 F HN 0.667 nan 8.300 nan 0.000 0.561 182 T N 1.659 115.896 114.554 -0.528 0.000 3.004 182 T HA 0.635 4.984 4.350 -0.003 0.000 0.266 182 T C 0.490 175.028 174.700 -0.271 0.000 0.986 182 T CA 0.122 62.067 62.100 -0.258 0.000 0.902 182 T CB 0.021 68.818 68.868 -0.119 0.000 1.118 182 T HN 1.062 nan 8.240 nan 0.000 0.522 183 G N 0.909 109.201 108.800 -0.847 0.000 2.368 183 G HA2 0.409 4.368 3.960 -0.003 0.000 0.269 183 G HA3 0.409 4.368 3.960 -0.003 0.000 0.269 183 G C -2.311 172.402 174.900 -0.311 0.000 1.291 183 G CA -0.989 43.886 45.100 -0.375 0.000 0.903 183 G HN 0.371 nan 8.290 nan 0.000 0.483 184 L N 0.183 121.451 121.223 0.074 0.000 2.354 184 L HA 0.582 4.920 4.340 -0.003 0.000 0.269 184 L C -0.023 176.943 176.870 0.161 0.000 1.005 184 L CA -0.720 54.265 54.840 0.241 0.000 0.819 184 L CB 2.250 44.589 42.059 0.466 0.000 1.311 184 L HN 0.513 nan 8.230 nan 0.000 0.423 185 Q N 4.057 123.936 119.800 0.132 0.000 2.421 185 Q HA 0.285 4.623 4.340 -0.003 0.000 0.242 185 Q C -2.249 173.705 176.000 -0.075 0.000 1.024 185 Q CA -1.900 53.918 55.803 0.025 0.000 0.891 185 Q CB 1.111 29.847 28.738 -0.004 0.000 1.222 185 Q HN 0.267 nan 8.270 nan 0.000 0.483 186 P HA 0.046 nan 4.420 nan 0.000 0.267 186 P C -2.559 174.384 177.300 -0.595 0.000 1.200 186 P CA -1.307 61.417 63.100 -0.627 0.000 0.772 186 P CB -0.113 31.354 31.700 -0.388 0.000 0.855 187 P HA 0.038 nan 4.420 nan 0.000 0.262 187 P C -1.634 175.578 177.300 -0.146 0.000 1.199 187 P CA -0.777 62.048 63.100 -0.458 0.000 0.763 187 P CB -0.406 30.992 31.700 -0.504 0.000 0.790 188 P HA -0.044 nan 4.420 nan 0.000 0.224 188 P C 0.243 177.528 177.300 -0.024 0.000 1.157 188 P CA 1.227 64.318 63.100 -0.015 0.000 0.799 188 P CB 0.615 32.280 31.700 -0.058 0.000 0.809 189 R N -1.486 118.948 120.500 -0.111 0.000 2.810 189 R HA 0.487 4.826 4.340 -0.003 0.000 0.266 189 R C -0.911 175.182 176.300 -0.346 0.000 1.061 189 R CA -0.984 54.897 56.100 -0.366 0.000 0.943 189 R CB 0.588 30.761 30.300 -0.212 0.000 1.237 189 R HN -0.421 nan 8.270 nan 0.000 0.459 190 K N -0.114 120.070 120.400 -0.360 0.000 2.489 190 K HA 0.209 4.528 4.320 -0.003 0.000 0.278 190 K C 0.744 177.296 176.600 -0.081 0.000 1.000 190 K CA 2.061 58.247 56.287 -0.168 0.000 1.012 190 K CB 0.140 32.557 32.500 -0.138 0.000 0.903 190 K HN 0.838 nan 8.250 nan 0.000 0.485 191 G N 1.793 110.576 108.800 -0.027 0.000 2.176 191 G HA2 -0.253 3.705 3.960 -0.003 0.000 0.253 191 G HA3 -0.253 3.705 3.960 -0.003 0.000 0.253 191 G C 0.127 175.015 174.900 -0.020 0.000 0.979 191 G CA 0.363 45.453 45.100 -0.018 0.000 0.641 191 G HN 0.630 nan 8.290 nan 0.000 0.530 192 S N -0.626 115.054 115.700 -0.034 0.000 2.671 192 S HA 0.785 5.254 4.470 -0.003 0.000 0.272 192 S C 0.680 175.246 174.600 -0.057 0.000 1.174 192 S CA 0.103 58.268 58.200 -0.058 0.000 1.004 192 S CB 1.577 64.722 63.200 -0.092 0.000 1.077 192 S HN 1.450 nan 8.310 nan 0.000 0.553 193 G N -0.997 107.747 108.800 -0.094 0.000 2.605 193 G HA2 0.544 4.503 3.960 -0.003 0.000 0.296 193 G HA3 0.544 4.503 3.960 -0.003 0.000 0.296 193 G C -1.900 172.896 174.900 -0.174 0.000 1.304 193 G CA -0.921 44.136 45.100 -0.072 0.000 0.941 193 G HN 0.555 nan 8.290 nan 0.000 0.475 194 W N 0.656 121.794 121.300 -0.270 0.000 2.216 194 W HA 0.568 5.226 4.660 -0.003 0.000 0.326 194 W C 1.027 177.127 176.519 -0.698 0.000 1.319 194 W CA -0.055 57.055 57.345 -0.391 0.000 1.213 194 W CB 0.704 29.945 29.460 -0.365 0.000 1.171 194 W HN 0.132 nan 8.180 nan 0.000 0.557 195 R N 1.784 122.144 120.500 -0.233 0.000 2.892 195 R HA 0.819 5.158 4.340 -0.003 0.000 0.265 195 R C -0.460 175.934 176.300 0.158 0.000 1.025 195 R CA -1.179 54.833 56.100 -0.146 0.000 0.982 195 R CB 1.772 32.052 30.300 -0.034 0.000 1.185 195 R HN 0.532 nan 8.270 nan 0.000 0.484 196 A N 1.148 124.213 122.820 0.410 0.000 2.282 196 A HA 0.347 4.666 4.320 -0.003 0.000 0.319 196 A C -0.807 176.859 177.584 0.137 0.000 1.121 196 A CA -0.416 51.887 52.037 0.443 0.000 0.836 196 A CB 1.264 20.663 19.000 0.664 0.000 1.146 196 A HN 0.571 nan 8.150 nan 0.000 0.494 197 Q N 0.196 119.949 119.800 -0.079 0.000 2.314 197 Q HA 0.676 5.014 4.340 -0.003 0.000 0.259 197 Q C -1.495 174.392 176.000 -0.188 0.000 0.951 197 Q CA 0.150 55.874 55.803 -0.131 0.000 0.909 197 Q CB 0.745 29.385 28.738 -0.164 0.000 1.236 197 Q HN 0.612 nan 8.270 nan 0.000 0.444 198 L N 2.364 123.545 121.223 -0.071 0.000 2.371 198 L HA 0.609 4.947 4.340 -0.003 0.000 0.262 198 L C -0.921 175.932 176.870 -0.029 0.000 1.006 198 L CA -0.801 54.016 54.840 -0.039 0.000 0.818 198 L CB 2.482 44.553 42.059 0.021 0.000 1.354 198 L HN 0.541 nan 8.230 nan 0.000 0.415 199 Q N 2.878 122.666 119.800 -0.021 0.000 2.263 199 Q HA 0.454 4.793 4.340 -0.003 0.000 0.266 199 Q C -2.673 173.326 176.000 -0.003 0.000 1.002 199 Q CA -1.668 54.126 55.803 -0.015 0.000 0.790 199 Q CB 2.991 31.716 28.738 -0.022 0.000 1.272 199 Q HN 0.253 nan 8.270 nan 0.000 0.435 200 P HA 0.055 nan 4.420 nan 0.000 0.274 200 P C -0.764 176.533 177.300 -0.006 0.000 1.246 200 P CA -0.366 62.733 63.100 -0.002 0.000 0.795 200 P CB 0.549 32.250 31.700 0.002 0.000 1.006 201 N N 2.017 120.713 118.700 -0.006 0.000 2.236 201 N HA -0.006 4.732 4.740 -0.003 0.000 0.274 201 N C -1.745 173.760 175.510 -0.008 0.000 1.339 201 N CA 0.000 53.047 53.050 -0.005 0.000 0.845 201 N CB -1.002 37.483 38.487 -0.003 0.000 1.091 201 N HN 0.380 nan 8.380 nan 0.000 0.489 202 P HA 0.247 nan 4.420 nan 0.000 0.274 202 P C -2.347 174.936 177.300 -0.030 0.000 1.237 202 P CA -0.991 62.089 63.100 -0.033 0.000 0.793 202 P CB -0.086 31.589 31.700 -0.042 0.000 0.977 203 P HA -0.007 nan 4.420 nan 0.000 0.270 203 P C 0.833 178.123 177.300 -0.016 0.000 1.227 203 P CA -0.098 62.986 63.100 -0.028 0.000 0.788 203 P CB 0.247 31.927 31.700 -0.034 0.000 0.926 204 A N 0.684 123.505 122.820 0.002 0.000 1.927 204 A HA -0.274 4.044 4.320 -0.003 0.000 0.220 204 A C 2.292 179.896 177.584 0.033 0.000 1.185 204 A CA 1.815 53.862 52.037 0.017 0.000 0.639 204 A CB -1.229 17.782 19.000 0.019 0.000 0.820 204 A HN 0.603 nan 8.150 nan 0.000 0.451 205 Q N -0.774 119.044 119.800 0.031 0.000 1.967 205 Q HA -0.172 4.167 4.340 -0.003 0.000 0.202 205 Q C 2.147 178.201 176.000 0.089 0.000 0.985 205 Q CA 1.956 57.796 55.803 0.062 0.000 0.839 205 Q CB -0.618 28.156 28.738 0.060 0.000 0.906 205 Q HN 0.568 nan 8.270 nan 0.000 0.423 206 L N 0.939 122.168 121.223 0.011 0.000 2.083 206 L HA -0.101 4.237 4.340 -0.003 0.000 0.209 206 L C 2.222 179.165 176.870 0.122 0.000 1.083 206 L CA 2.291 57.140 54.840 0.014 0.000 0.752 206 L CB -1.064 40.837 42.059 -0.264 0.000 0.899 206 L HN 0.208 nan 8.230 nan 0.000 0.433 207 A N -0.662 122.200 122.820 0.070 0.000 1.892 207 A HA -0.262 4.056 4.320 -0.003 0.000 0.218 207 A C 2.347 180.005 177.584 0.122 0.000 1.188 207 A CA 2.408 54.496 52.037 0.085 0.000 0.631 207 A CB -1.233 17.793 19.000 0.043 0.000 0.822 207 A HN 0.673 nan 8.150 nan 0.000 0.447 208 S N -2.350 113.421 115.700 0.119 0.000 2.603 208 S HA 0.078 4.546 4.470 -0.003 0.000 0.220 208 S C 0.440 175.131 174.600 0.152 0.000 0.967 208 S CA -0.162 58.100 58.200 0.104 0.000 0.920 208 S CB -0.592 62.654 63.200 0.075 0.000 0.773 208 S HN 0.457 nan 8.310 nan 0.000 0.529 209 Y N 3.312 123.680 120.300 0.114 0.000 2.544 209 Y HA 0.293 4.842 4.550 -0.002 0.000 0.330 209 Y C 0.168 176.185 175.900 0.196 0.000 1.136 209 Y CA -0.443 57.758 58.100 0.169 0.000 1.417 209 Y CB 0.287 38.879 38.460 0.220 0.000 1.229 209 Y HN 0.253 nan 8.280 nan 0.000 0.532 210 E N 6.687 126.550 120.200 -0.561 0.000 2.207 210 E HA 0.448 4.796 4.350 -0.003 0.000 0.270 210 E C -1.572 174.670 176.600 -0.597 0.000 0.927 210 E CA -0.881 55.213 56.400 -0.511 0.000 0.799 210 E CB 1.808 31.345 29.700 -0.270 0.000 1.172 210 E HN 0.537 nan 8.360 nan 0.000 0.404 211 F N -0.383 119.427 119.950 -0.234 0.000 2.608 211 F HA 0.340 4.866 4.527 -0.002 0.000 0.309 211 F C 0.247 176.071 175.800 0.040 0.000 1.103 211 F CA -1.066 56.867 58.000 -0.112 0.000 0.954 211 F CB 1.003 39.991 39.000 -0.021 0.000 1.267 211 F HN 0.288 nan 8.300 nan 0.000 0.444 212 D N 0.386 120.915 120.400 0.216 0.000 2.367 212 D HA 0.088 4.726 4.640 -0.003 0.000 0.207 212 D C -0.149 176.160 176.300 0.014 0.000 1.034 212 D CA 0.378 54.486 54.000 0.180 0.000 0.861 212 D CB 0.660 41.649 40.800 0.315 0.000 0.943 212 D HN 0.259 nan 8.370 nan 0.000 0.515 213 V N 1.555 121.505 119.914 0.060 0.000 2.409 213 V HA 0.357 4.475 4.120 -0.003 0.000 0.291 213 V C -0.789 175.289 176.094 -0.027 0.000 1.020 213 V CA -0.966 61.258 62.300 -0.125 0.000 0.848 213 V CB 1.888 33.599 31.823 -0.186 0.000 0.990 213 V HN 0.108 nan 8.190 nan 0.000 0.430 214 L N 7.011 128.178 121.223 -0.092 0.000 2.325 214 L HA 0.672 5.010 4.340 -0.003 0.000 0.281 214 L C -0.799 175.947 176.870 -0.206 0.000 1.004 214 L CA 0.145 54.878 54.840 -0.178 0.000 0.823 214 L CB 1.191 43.233 42.059 -0.028 0.000 1.236 214 L HN 0.572 nan 8.230 nan 0.000 0.415 215 I N 4.196 124.613 120.570 -0.255 0.000 2.382 215 I HA 0.286 4.454 4.170 -0.003 0.000 0.285 215 I C -0.251 175.708 176.117 -0.263 0.000 1.007 215 I CA -0.288 60.877 61.300 -0.226 0.000 1.142 215 I CB 1.844 39.734 38.000 -0.182 0.000 1.289 215 I HN 0.608 nan 8.210 nan 0.000 0.453 216 S N 5.256 120.799 115.700 -0.262 0.000 2.410 216 S HA 0.617 5.085 4.470 -0.003 0.000 0.304 216 S C 0.399 174.886 174.600 -0.189 0.000 1.095 216 S CA -0.307 57.743 58.200 -0.249 0.000 1.089 216 S CB 0.865 63.921 63.200 -0.240 0.000 0.968 216 S HN 0.710 nan 8.310 nan 0.000 0.480 217 A N 4.116 126.844 122.820 -0.154 0.000 2.616 217 A HA 0.640 4.958 4.320 -0.003 0.000 0.294 217 A C 1.239 178.783 177.584 -0.067 0.000 1.091 217 A CA 0.140 52.111 52.037 -0.111 0.000 0.971 217 A CB -0.305 18.623 19.000 -0.120 0.000 1.222 217 A HN 1.073 nan 8.150 nan 0.000 0.521 218 A N -0.353 122.450 122.820 -0.027 0.000 2.263 218 A HA 0.421 4.739 4.320 -0.003 0.000 0.205 218 A C 1.722 179.339 177.584 0.055 0.000 1.226 218 A CA 1.214 53.260 52.037 0.015 0.000 0.810 218 A CB -1.314 17.734 19.000 0.079 0.000 0.784 218 A HN 2.065 nan 8.150 nan 0.000 0.486 219 G N -0.771 108.047 108.800 0.030 0.000 2.594 219 G HA2 0.093 4.051 3.960 -0.003 0.000 0.297 219 G HA3 0.093 4.051 3.960 -0.003 0.000 0.297 219 G C 1.445 176.394 174.900 0.081 0.000 1.273 219 G CA 0.840 45.968 45.100 0.046 0.000 0.974 219 G HN 2.337 nan 8.290 nan 0.000 0.552 220 G N -1.382 107.481 108.800 0.105 0.000 2.582 220 G HA2 -0.025 3.934 3.960 -0.003 0.000 0.288 220 G HA3 -0.025 3.934 3.960 -0.003 0.000 0.288 220 G C 0.859 175.819 174.900 0.100 0.000 1.247 220 G CA 1.935 47.110 45.100 0.124 0.000 0.972 220 G HN 2.059 nan 8.290 nan 0.000 0.557 221 K N -3.528 116.932 120.400 0.100 0.000 2.765 221 K HA -0.192 4.126 4.320 -0.003 0.000 0.392 221 K C 0.101 176.822 176.600 0.203 0.000 0.531 221 K CA 1.350 57.719 56.287 0.137 0.000 1.714 221 K CB -1.089 31.499 32.500 0.146 0.000 0.899 221 K HN 1.146 nan 8.250 nan 0.000 0.453 222 F N 1.931 121.896 119.950 0.025 0.000 2.612 222 F HA 0.396 4.921 4.527 -0.003 0.000 0.332 222 F C -0.378 175.407 175.800 -0.026 0.000 1.167 222 F CA -0.459 57.555 58.000 0.024 0.000 0.970 222 F CB 1.641 40.666 39.000 0.043 0.000 1.234 222 F HN -0.105 nan 8.300 nan 0.000 0.453 223 V N 5.118 124.774 119.914 -0.429 0.000 6.748 223 V HA -0.127 3.991 4.120 -0.003 0.000 0.358 223 V C -2.566 172.812 176.094 -1.193 0.000 0.420 223 V CA -0.194 61.757 62.300 -0.583 0.000 0.852 223 V CB -1.861 29.805 31.823 -0.262 0.000 0.679 223 V HN 0.652 nan 8.190 nan 0.000 0.828 224 P HA 0.546 nan 4.420 nan 0.000 0.290 224 P C 0.040 177.328 177.300 -0.020 0.000 1.275 224 P CA -0.375 62.498 63.100 -0.377 0.000 0.841 224 P CB 0.904 32.561 31.700 -0.073 0.000 1.042 225 E N 0.624 120.855 120.200 0.052 0.000 2.534 225 E HA 0.211 4.559 4.350 -0.003 0.000 0.264 225 E C 1.326 177.971 176.600 0.075 0.000 0.981 225 E CA 1.458 57.900 56.400 0.070 0.000 0.948 225 E CB -0.416 29.339 29.700 0.091 0.000 0.934 225 E HN 0.802 nan 8.360 nan 0.000 0.459 226 G N 2.380 111.192 108.800 0.020 0.000 2.579 226 G HA2 -0.326 3.632 3.960 -0.003 0.000 0.222 226 G HA3 -0.326 3.632 3.960 -0.003 0.000 0.222 226 G C 0.070 174.909 174.900 -0.102 0.000 1.201 226 G CA -0.195 44.864 45.100 -0.068 0.000 0.710 226 G HN 0.448 nan 8.290 nan 0.000 0.516 227 F N 3.556 123.474 119.950 -0.054 0.000 2.557 227 F HA 0.422 4.947 4.527 -0.003 0.000 0.384 227 F C 1.240 177.013 175.800 -0.045 0.000 1.057 227 F CA 0.906 58.871 58.000 -0.058 0.000 1.169 227 F CB 0.777 39.723 39.000 -0.091 0.000 1.070 227 F HN -0.004 nan 8.300 nan 0.000 0.554 228 T N 6.181 120.806 114.554 0.119 0.000 2.780 228 T HA 0.507 4.856 4.350 -0.003 0.000 0.294 228 T C 0.094 174.857 174.700 0.106 0.000 0.949 228 T CA -0.296 61.854 62.100 0.083 0.000 1.074 228 T CB 0.319 69.215 68.868 0.047 0.000 0.910 228 T HN 0.184 nan 8.240 nan 0.000 0.501 229 I N 3.171 123.786 120.570 0.076 0.000 2.676 229 I HA 0.670 4.838 4.170 -0.003 0.000 0.309 229 I C 0.195 176.347 176.117 0.058 0.000 0.990 229 I CA -1.063 60.278 61.300 0.068 0.000 1.168 229 I CB 1.315 39.341 38.000 0.044 0.000 1.343 229 I HN 0.563 nan 8.210 nan 0.000 0.482 230 R N 1.549 122.084 120.500 0.059 0.000 2.744 230 R HA 0.829 5.167 4.340 -0.003 0.000 0.279 230 R C -1.305 175.020 176.300 0.040 0.000 0.977 230 R CA -0.950 55.178 56.100 0.047 0.000 0.906 230 R CB 1.557 31.885 30.300 0.046 0.000 1.197 230 R HN 0.534 nan 8.270 nan 0.000 0.463 231 E N 2.311 122.530 120.200 0.031 0.000 2.255 231 E HA 0.301 4.650 4.350 -0.003 0.000 0.256 231 E C -1.409 175.204 176.600 0.021 0.000 0.887 231 E CA -0.500 55.917 56.400 0.028 0.000 0.782 231 E CB 1.488 31.205 29.700 0.028 0.000 1.214 231 E HN 0.674 nan 8.360 nan 0.000 0.417 232 M N 4.817 124.428 119.600 0.018 0.000 2.066 232 M HA 0.432 4.910 4.480 -0.003 0.000 0.340 232 M C -0.793 175.515 176.300 0.014 0.000 1.053 232 M CA -0.619 54.687 55.300 0.010 0.000 0.983 232 M CB 0.577 33.178 32.600 0.001 0.000 1.520 232 M HN 0.447 nan 8.290 nan 0.000 0.428 233 R N 2.860 123.369 120.500 0.015 0.000 2.312 233 R HA 0.710 5.048 4.340 -0.003 0.000 0.311 233 R C -0.083 176.225 176.300 0.014 0.000 1.004 233 R CA 0.051 56.163 56.100 0.019 0.000 0.902 233 R CB 1.402 31.714 30.300 0.020 0.000 1.073 233 R HN 0.915 nan 8.270 nan 0.000 0.457 234 G N 1.716 110.527 108.800 0.018 0.000 3.039 234 G HA2 0.167 4.125 3.960 -0.003 0.000 0.202 234 G HA3 0.167 4.125 3.960 -0.003 0.000 0.202 234 G C -1.140 173.772 174.900 0.021 0.000 1.151 234 G CA -0.735 44.372 45.100 0.011 0.000 0.836 234 G HN 0.382 nan 8.290 nan 0.000 0.598 235 K N 0.873 121.284 120.400 0.018 0.000 2.434 235 K HA -0.093 4.226 4.320 -0.003 0.000 0.266 235 K C -0.184 176.447 176.600 0.052 0.000 1.096 235 K CA -0.059 56.245 56.287 0.029 0.000 1.182 235 K CB 0.532 33.049 32.500 0.029 0.000 0.813 235 K HN 0.319 nan 8.250 nan 0.000 0.490 236 L N 3.223 124.470 121.223 0.039 0.000 2.565 236 L HA 0.072 4.411 4.340 -0.003 0.000 0.275 236 L C -0.328 176.574 176.870 0.053 0.000 1.137 236 L CA 0.546 55.410 54.840 0.039 0.000 0.915 236 L CB -0.135 41.935 42.059 0.018 0.000 1.232 236 L HN 0.625 nan 8.230 nan 0.000 0.473 237 A N 6.232 129.102 122.820 0.084 0.000 2.330 237 A HA 0.760 5.078 4.320 -0.003 0.000 0.313 237 A C -0.906 176.679 177.584 0.003 0.000 1.124 237 A CA -0.509 51.590 52.037 0.104 0.000 0.774 237 A CB 0.665 19.819 19.000 0.257 0.000 1.198 237 A HN 0.587 nan 8.150 nan 0.000 0.465 238 I N 2.226 122.740 120.570 -0.093 0.000 2.362 238 I HA 0.516 4.685 4.170 -0.003 0.000 0.289 238 I C 0.861 176.727 176.117 -0.419 0.000 0.994 238 I CA 0.148 61.304 61.300 -0.239 0.000 1.158 238 I CB 2.060 39.962 38.000 -0.163 0.000 1.315 238 I HN 0.683 nan 8.210 nan 0.000 0.451 239 G N 6.176 114.439 108.800 -0.895 0.000 2.389 239 G HA2 0.763 4.722 3.960 -0.003 0.000 0.317 239 G HA3 0.763 4.722 3.960 -0.003 0.000 0.317 239 G C -0.916 173.828 174.900 -0.260 0.000 1.137 239 G CA -0.295 44.231 45.100 -0.958 0.000 0.870 239 G HN 0.388 nan 8.290 nan 0.000 0.496 240 I N 0.795 121.361 120.570 -0.006 0.000 2.498 240 I HA 0.408 4.576 4.170 -0.003 0.000 0.290 240 I C 0.258 176.516 176.117 0.235 0.000 1.032 240 I CA -0.463 60.915 61.300 0.129 0.000 1.073 240 I CB 2.698 40.750 38.000 0.087 0.000 1.251 240 I HN 0.598 nan 8.210 nan 0.000 0.426 241 T N 2.694 117.427 114.554 0.298 0.000 2.856 241 T HA 0.964 5.312 4.350 -0.003 0.000 0.283 241 T C -0.612 174.186 174.700 0.163 0.000 1.008 241 T CA -0.819 61.420 62.100 0.233 0.000 0.997 241 T CB 1.953 71.035 68.868 0.357 0.000 0.992 241 T HN 0.755 nan 8.240 nan 0.000 0.454 242 A N 2.744 125.598 122.820 0.057 0.000 2.486 242 A HA 0.768 5.086 4.320 -0.003 0.000 0.300 242 A C -0.998 176.509 177.584 -0.128 0.000 1.048 242 A CA -1.018 51.004 52.037 -0.026 0.000 0.696 242 A CB 1.333 20.312 19.000 -0.035 0.000 1.278 242 A HN 0.813 nan 8.150 nan 0.000 0.405 243 N N 1.535 120.118 118.700 -0.195 0.000 2.504 243 N HA 0.551 5.289 4.740 -0.003 0.000 0.280 243 N C -1.708 173.681 175.510 -0.203 0.000 1.052 243 N CA 0.080 53.088 53.050 -0.070 0.000 0.887 243 N CB 1.421 40.005 38.487 0.163 0.000 1.323 243 N HN 0.485 nan 8.380 nan 0.000 0.509 244 F N 0.022 120.139 119.950 0.277 0.000 2.483 244 F HA 0.456 4.981 4.527 -0.003 0.000 0.329 244 F C 0.929 176.828 175.800 0.165 0.000 1.064 244 F CA -1.105 56.984 58.000 0.148 0.000 0.986 244 F CB 0.747 39.785 39.000 0.063 0.000 1.218 244 F HN -0.022 nan 8.300 nan 0.000 0.484 245 V N 1.473 121.564 119.914 0.294 0.000 2.740 245 V HA 0.021 4.140 4.120 -0.003 0.000 0.303 245 V C -0.105 176.126 176.094 0.230 0.000 1.054 245 V CA -0.309 62.095 62.300 0.174 0.000 1.106 245 V CB 0.702 32.595 31.823 0.117 0.000 0.957 245 V HN 0.700 nan 8.190 nan 0.000 0.486 246 N N 3.231 121.966 118.700 0.059 0.000 2.501 246 N HA 0.365 5.103 4.740 -0.003 0.000 0.245 246 N C 0.893 176.424 175.510 0.036 0.000 0.974 246 N CA 0.165 53.188 53.050 -0.044 0.000 0.941 246 N CB 1.549 39.778 38.487 -0.429 0.000 1.122 246 N HN 0.671 nan 8.380 nan 0.000 0.507 247 G N 2.172 111.040 108.800 0.113 0.000 2.598 247 G HA2 -0.107 3.851 3.960 -0.003 0.000 0.215 247 G HA3 -0.107 3.851 3.960 -0.003 0.000 0.215 247 G C 0.254 175.186 174.900 0.054 0.000 1.131 247 G CA -0.132 45.012 45.100 0.073 0.000 0.785 247 G HN 0.823 nan 8.290 nan 0.000 0.539 248 R N -0.106 120.433 120.500 0.064 0.000 3.531 248 R HA -0.156 4.183 4.340 -0.003 0.000 0.280 248 R C 0.003 176.329 176.300 0.042 0.000 1.130 248 R CA 0.838 56.963 56.100 0.042 0.000 0.757 248 R CB -3.052 27.256 30.300 0.013 0.000 1.218 248 R HN 0.559 nan 8.270 nan 0.000 0.454 249 T N -3.897 110.690 114.554 0.055 0.000 2.944 249 T HA 0.473 4.821 4.350 -0.003 0.000 0.284 249 T C 1.723 176.445 174.700 0.037 0.000 1.010 249 T CA -0.592 61.530 62.100 0.038 0.000 1.025 249 T CB 2.108 70.995 68.868 0.032 0.000 1.079 249 T HN -0.088 nan 8.240 nan 0.000 0.516 250 V N 0.400 120.328 119.914 0.023 0.000 2.324 250 V HA -0.126 3.992 4.120 -0.003 0.000 0.250 250 V C 2.482 178.587 176.094 0.019 0.000 1.060 250 V CA 1.862 64.174 62.300 0.019 0.000 1.042 250 V CB -1.072 30.757 31.823 0.009 0.000 0.650 250 V HN 0.861 nan 8.190 nan 0.000 0.450 251 E N -0.612 119.597 120.200 0.015 0.000 2.442 251 E HA -0.029 4.319 4.350 -0.003 0.000 0.195 251 E C 2.100 178.708 176.600 0.013 0.000 1.030 251 E CA 0.293 56.698 56.400 0.008 0.000 0.869 251 E CB 0.040 29.738 29.700 -0.004 0.000 0.857 251 E HN 0.666 nan 8.360 nan 0.000 0.505 252 E N -0.641 119.580 120.200 0.035 0.000 2.447 252 E HA -0.021 4.327 4.350 -0.003 0.000 0.195 252 E C 0.374 177.047 176.600 0.122 0.000 1.028 252 E CA 0.910 57.346 56.400 0.059 0.000 0.876 252 E CB 0.395 30.148 29.700 0.089 0.000 0.885 252 E HN 0.222 nan 8.360 nan 0.000 0.500 253 T N -1.758 112.855 114.554 0.098 0.000 3.176 253 T HA 0.181 4.529 4.350 -0.003 0.000 0.263 253 T C 1.169 175.919 174.700 0.084 0.000 1.021 253 T CA -0.454 61.713 62.100 0.113 0.000 0.905 253 T CB 0.782 69.696 68.868 0.078 0.000 1.057 253 T HN -0.093 nan 8.240 nan 0.000 0.558 254 Q N 0.982 120.820 119.800 0.063 0.000 2.281 254 Q HA 0.239 4.577 4.340 -0.003 0.000 0.215 254 Q C 0.038 176.065 176.000 0.044 0.000 0.867 254 Q CA 0.124 55.952 55.803 0.042 0.000 0.940 254 Q CB 0.825 29.575 28.738 0.019 0.000 1.111 254 Q HN 0.450 nan 8.270 nan 0.000 0.513 255 V N 4.171 124.119 119.914 0.056 0.000 2.446 255 V HA 0.128 4.247 4.120 -0.003 0.000 0.276 255 V C -2.001 174.162 176.094 0.115 0.000 1.030 255 V CA -0.922 61.401 62.300 0.039 0.000 1.033 255 V CB 0.100 31.904 31.823 -0.031 0.000 0.993 255 V HN 0.148 nan 8.190 nan 0.000 0.477 256 P HA 0.238 nan 4.420 nan 0.000 0.273 256 P C -0.143 177.282 177.300 0.209 0.000 1.250 256 P CA -0.408 62.759 63.100 0.112 0.000 0.793 256 P CB 0.705 32.436 31.700 0.051 0.000 1.011 257 E N -0.019 120.299 120.200 0.197 0.000 2.250 257 E HA 0.410 4.759 4.350 -0.003 0.000 0.269 257 E C -0.541 176.133 176.600 0.122 0.000 1.018 257 E CA -0.743 55.802 56.400 0.241 0.000 0.873 257 E CB 0.801 30.562 29.700 0.103 0.000 1.134 257 E HN 0.243 nan 8.360 nan 0.000 0.403 258 I N 1.891 122.510 120.570 0.082 0.000 2.321 258 I HA -0.034 4.135 4.170 -0.003 0.000 0.291 258 I C 1.407 177.490 176.117 -0.056 0.000 0.998 258 I CA 0.266 61.549 61.300 -0.029 0.000 1.227 258 I CB 1.474 39.419 38.000 -0.091 0.000 1.368 258 I HN 0.551 nan 8.210 nan 0.000 0.466 259 S N 4.165 119.863 115.700 -0.002 0.000 2.348 259 S HA 0.168 4.636 4.470 -0.003 0.000 0.221 259 S C 0.926 175.540 174.600 0.024 0.000 1.033 259 S CA 0.706 58.926 58.200 0.033 0.000 1.010 259 S CB -0.339 62.896 63.200 0.058 0.000 0.891 259 S HN 0.832 nan 8.310 nan 0.000 0.442 266 N N -0.304 118.227 118.700 -0.281 0.000 2.979 266 N HA 0.166 4.905 4.740 -0.003 0.000 0.247 266 N C 0.550 176.220 175.510 0.268 0.000 1.012 266 N CA 1.249 54.355 53.050 0.094 0.000 1.061 266 N CB 0.471 39.064 38.487 0.175 0.000 1.677 266 N HN 0.549 nan 8.380 nan 0.000 0.558 267 Q N 0.712 120.831 119.800 0.531 0.000 2.414 267 Q HA 0.293 4.631 4.340 -0.003 0.000 0.206 267 Q C 0.809 176.946 176.000 0.228 0.000 1.058 267 Q CA 0.216 56.220 55.803 0.335 0.000 1.025 267 Q CB 0.699 29.652 28.738 0.359 0.000 1.196 267 Q HN 0.149 nan 8.270 nan 0.000 0.586 268 K N -0.093 120.420 120.400 0.188 0.000 2.228 268 K HA -0.055 4.264 4.320 -0.003 0.000 0.202 268 K C 1.673 178.371 176.600 0.163 0.000 1.051 268 K CA 0.909 57.288 56.287 0.153 0.000 0.960 268 K CB -0.159 32.431 32.500 0.151 0.000 0.743 268 K HN 0.556 nan 8.250 nan 0.000 0.458 269 F N 0.086 120.086 119.950 0.084 0.000 2.234 269 F HA -0.030 4.495 4.527 -0.003 0.000 0.299 269 F C 1.454 177.225 175.800 -0.049 0.000 1.087 269 F CA 0.738 58.821 58.000 0.137 0.000 1.340 269 F CB -0.557 38.526 39.000 0.139 0.000 1.031 269 F HN -0.208 nan 8.300 nan 0.000 0.500 270 F N 1.147 120.570 119.950 -0.878 0.000 2.095 270 F HA -0.153 4.373 4.527 -0.003 0.000 0.298 270 F C 2.521 178.123 175.800 -0.330 0.000 1.104 270 F CA 1.798 59.381 58.000 -0.696 0.000 1.232 270 F CB -1.253 37.416 39.000 -0.551 0.000 0.987 270 F HN 0.025 nan 8.300 nan 0.000 0.475 271 Q N -0.649 119.147 119.800 -0.007 0.000 2.378 271 Q HA -0.013 4.325 4.340 -0.003 0.000 0.205 271 Q C 2.022 178.002 176.000 -0.034 0.000 0.954 271 Q CA 0.943 56.739 55.803 -0.011 0.000 0.901 271 Q CB -0.168 28.583 28.738 0.022 0.000 0.981 271 Q HN 0.169 nan 8.270 nan 0.000 0.483 272 S N -0.431 115.246 115.700 -0.037 0.000 2.524 272 S HA 0.076 4.544 4.470 -0.003 0.000 0.216 272 S C 1.090 175.507 174.600 -0.304 0.000 0.987 272 S CA -0.089 58.091 58.200 -0.034 0.000 0.909 272 S CB 0.177 63.490 63.200 0.188 0.000 0.781 272 S HN 0.217 nan 8.310 nan 0.000 0.521 273 L N 1.418 122.350 121.223 -0.485 0.000 2.554 273 L HA 0.325 4.664 4.340 -0.003 0.000 0.226 273 L C 1.501 178.166 176.870 -0.342 0.000 1.137 273 L CA 0.735 55.164 54.840 -0.685 0.000 0.863 273 L CB -0.495 41.195 42.059 -0.615 0.000 0.985 273 L HN 0.255 nan 8.230 nan 0.000 0.451 274 L N -1.235 119.864 121.223 -0.207 0.000 2.291 274 L HA -0.062 4.276 4.340 -0.003 0.000 0.214 274 L C 1.915 178.722 176.870 -0.105 0.000 1.120 274 L CA 1.215 55.982 54.840 -0.122 0.000 0.799 274 L CB -0.325 41.689 42.059 -0.075 0.000 0.925 274 L HN 0.156 nan 8.230 nan 0.000 0.446 275 K N -0.830 119.500 120.400 -0.117 0.000 2.401 275 K HA 0.203 4.522 4.320 -0.003 0.000 0.176 275 K C 1.867 178.421 176.600 -0.076 0.000 1.109 275 K CA 0.595 56.839 56.287 -0.072 0.000 1.146 275 K CB -0.723 31.753 32.500 -0.040 0.000 1.600 275 K HN 0.136 nan 8.250 nan 0.000 0.474 276 A N 0.460 123.248 122.820 -0.054 0.000 1.698 276 A HA -0.389 3.930 4.320 -0.003 0.000 0.315 276 A C 2.150 179.699 177.584 -0.058 0.000 3.574 276 A CA 4.102 56.114 52.037 -0.042 0.000 0.952 276 A CB -2.193 16.792 19.000 -0.025 0.000 0.759 276 A HN 0.779 nan 8.150 nan 0.000 0.516 277 T N -5.250 109.248 114.554 -0.092 0.000 2.978 277 T HA 0.477 4.825 4.350 -0.003 0.000 0.248 277 T C 1.423 176.070 174.700 -0.089 0.000 1.018 277 T CA 1.105 63.152 62.100 -0.088 0.000 1.026 277 T CB 0.382 69.181 68.868 -0.115 0.000 1.032 277 T HN 2.439 nan 8.240 nan 0.000 0.485 278 G N 1.596 110.327 108.800 -0.115 0.000 2.734 278 G HA2 -0.088 3.871 3.960 -0.003 0.000 0.277 278 G HA3 -0.088 3.871 3.960 -0.003 0.000 0.277 278 G C -0.471 174.374 174.900 -0.093 0.000 1.099 278 G CA -0.362 44.682 45.100 -0.093 0.000 1.218 278 G HN 0.666 nan 8.290 nan 0.000 0.554 279 I N 1.574 122.055 120.570 -0.149 0.000 2.418 279 I HA 0.327 4.496 4.170 -0.003 0.000 0.287 279 I C -0.174 175.909 176.117 -0.056 0.000 1.008 279 I CA -0.832 60.385 61.300 -0.139 0.000 1.104 279 I CB 1.804 39.576 38.000 -0.379 0.000 1.264 279 I HN 0.393 nan 8.210 nan 0.000 0.438 280 D N 8.397 128.827 120.400 0.050 0.000 2.198 280 D HA 0.519 5.158 4.640 -0.003 0.000 0.245 280 D C -1.285 175.101 176.300 0.144 0.000 1.079 280 D CA -0.116 53.924 54.000 0.066 0.000 0.854 280 D CB 1.389 42.216 40.800 0.046 0.000 1.148 280 D HN 0.383 nan 8.370 nan 0.000 0.456 281 L N 2.830 124.153 121.223 0.167 0.000 2.409 281 L HA 0.264 4.602 4.340 -0.003 0.000 0.262 281 L C 1.200 178.173 176.870 0.171 0.000 0.992 281 L CA -0.799 54.187 54.840 0.243 0.000 0.817 281 L CB 2.352 44.627 42.059 0.359 0.000 1.350 281 L HN 0.412 nan 8.230 nan 0.000 0.411 282 E N 1.244 121.529 120.200 0.142 0.000 2.072 282 E HA -0.081 4.267 4.350 -0.003 0.000 0.190 282 E C -0.429 176.259 176.600 0.147 0.000 0.982 282 E CA 1.098 57.513 56.400 0.025 0.000 0.803 282 E CB 0.247 30.001 29.700 0.089 0.000 0.755 282 E HN 0.716 nan 8.360 nan 0.000 0.453 283 N N -1.112 117.844 118.700 0.426 0.000 2.935 283 N HA 0.300 5.038 4.740 -0.003 0.000 0.248 283 N C -1.636 174.175 175.510 0.502 0.000 1.276 283 N CA -0.579 52.846 53.050 0.626 0.000 0.906 283 N CB 1.110 39.873 38.487 0.460 0.000 1.564 283 N HN -0.044 nan 8.380 nan 0.000 0.500 284 I N 0.671 121.535 120.570 0.491 0.000 2.846 284 I HA 0.789 4.957 4.170 -0.003 0.000 0.307 284 I C -1.238 174.983 176.117 0.173 0.000 1.053 284 I CA -1.134 60.356 61.300 0.316 0.000 1.050 284 I CB 1.887 40.065 38.000 0.297 0.000 1.239 284 I HN 0.466 nan 8.210 nan 0.000 0.439 285 V N 5.188 125.167 119.914 0.109 0.000 2.925 285 V HA 0.420 4.539 4.120 -0.003 0.000 0.311 285 V C -1.605 174.413 176.094 -0.127 0.000 1.104 285 V CA -0.687 61.577 62.300 -0.060 0.000 0.954 285 V CB 1.993 33.749 31.823 -0.111 0.000 1.022 285 V HN 0.593 nan 8.190 nan 0.000 0.427 286 Y N 3.937 123.960 120.300 -0.461 0.000 2.442 286 Y HA 0.785 5.333 4.550 -0.003 0.000 0.344 286 Y C -1.964 173.588 175.900 -0.580 0.000 0.976 286 Y CA -1.165 56.567 58.100 -0.613 0.000 1.040 286 Y CB 1.891 39.982 38.460 -0.615 0.000 1.228 286 Y HN 0.566 nan 8.280 nan 0.000 0.451 287 Y N 4.070 123.839 120.300 -0.885 0.000 2.391 287 Y HA 0.403 4.951 4.550 -0.003 0.000 0.341 287 Y C -0.537 174.729 175.900 -1.057 0.000 0.965 287 Y CA -1.494 56.103 58.100 -0.838 0.000 1.067 287 Y CB 2.062 40.188 38.460 -0.558 0.000 1.199 287 Y HN 0.543 nan 8.280 nan 0.000 0.450 288 K N 3.485 123.524 120.400 -0.603 0.000 2.266 288 K HA 0.196 4.514 4.320 -0.003 0.000 0.274 288 K C -0.736 175.799 176.600 -0.109 0.000 1.090 288 K CA -0.046 56.103 56.287 -0.231 0.000 0.925 288 K CB 0.366 32.888 32.500 0.036 0.000 1.225 288 K HN 0.808 nan 8.250 nan 0.000 0.458 289 D N 1.719 122.016 120.400 -0.172 0.000 2.730 289 D HA 0.113 4.751 4.640 -0.003 0.000 0.202 289 D C 0.578 176.824 176.300 -0.089 0.000 1.283 289 D CA -0.141 53.788 54.000 -0.118 0.000 1.159 289 D CB 0.978 41.611 40.800 -0.278 0.000 1.167 289 D HN 0.418 nan 8.370 nan 0.000 0.557 290 E N -0.068 120.093 120.200 -0.065 0.000 2.106 290 E HA -0.022 4.326 4.350 -0.003 0.000 0.192 290 E C 0.869 177.406 176.600 -0.106 0.000 0.984 290 E CA 0.899 57.268 56.400 -0.052 0.000 0.806 290 E CB -0.133 29.561 29.700 -0.010 0.000 0.750 290 E HN 0.478 nan 8.360 nan 0.000 0.458 291 T N -1.216 113.278 114.554 -0.100 0.000 2.932 291 T HA 0.308 4.656 4.350 -0.003 0.000 0.289 291 T C -0.046 174.646 174.700 -0.014 0.000 1.039 291 T CA -0.850 61.212 62.100 -0.063 0.000 1.024 291 T CB 1.622 70.485 68.868 -0.008 0.000 1.090 291 T HN -0.046 nan 8.240 nan 0.000 0.496 292 H N 1.627 120.843 119.070 0.245 0.000 3.089 292 H HA 0.177 4.731 4.556 -0.003 0.000 0.262 292 H C -1.050 174.538 175.328 0.433 0.000 1.160 292 H CA 0.037 56.317 56.048 0.387 0.000 1.482 292 H CB -0.371 29.724 29.762 0.556 0.000 1.511 292 H HN 0.586 nan 8.280 nan 0.000 0.483 293 Y N 4.191 124.569 120.300 0.129 0.000 2.330 293 Y HA 0.318 4.867 4.550 -0.003 0.000 0.336 293 Y C -1.382 174.473 175.900 -0.075 0.000 1.036 293 Y CA -1.072 57.059 58.100 0.052 0.000 1.125 293 Y CB 0.533 38.966 38.460 -0.045 0.000 1.194 293 Y HN 0.315 nan 8.280 nan 0.000 0.469 294 F N 5.416 125.108 119.950 -0.431 0.000 2.539 294 F HA 0.541 5.067 4.527 -0.003 0.000 0.318 294 F C -0.990 174.492 175.800 -0.530 0.000 1.135 294 F CA -1.059 56.774 58.000 -0.278 0.000 0.915 294 F CB 1.973 41.025 39.000 0.086 0.000 1.176 294 F HN 0.304 nan 8.300 nan 0.000 0.440 295 V N 6.823 126.627 119.914 -0.183 0.000 2.443 295 V HA 0.725 4.844 4.120 -0.003 0.000 0.293 295 V C -0.926 175.285 176.094 0.195 0.000 1.021 295 V CA -0.476 61.837 62.300 0.022 0.000 0.848 295 V CB 1.473 33.364 31.823 0.113 0.000 0.998 295 V HN 0.735 nan 8.190 nan 0.000 0.424 296 M N 4.413 124.161 119.600 0.248 0.000 2.518 296 M HA 0.660 5.139 4.480 -0.003 0.000 0.300 296 M C -0.826 175.622 176.300 0.246 0.000 1.175 296 M CA -0.504 54.963 55.300 0.277 0.000 0.890 296 M CB 2.158 34.937 32.600 0.298 0.000 1.710 296 M HN 0.389 nan 8.290 nan 0.000 0.453 297 T N 2.101 116.814 114.554 0.265 0.000 2.733 297 T HA 0.714 5.062 4.350 -0.003 0.000 0.294 297 T C -0.082 174.723 174.700 0.176 0.000 0.956 297 T CA -0.521 61.693 62.100 0.191 0.000 0.987 297 T CB 1.042 70.070 68.868 0.267 0.000 0.920 297 T HN 0.761 nan 8.240 nan 0.000 0.470 298 A N 3.630 126.507 122.820 0.094 0.000 2.288 298 A HA 0.790 5.108 4.320 -0.003 0.000 0.328 298 A C -0.205 177.403 177.584 0.040 0.000 1.123 298 A CA -0.941 51.161 52.037 0.109 0.000 0.861 298 A CB 1.081 20.123 19.000 0.070 0.000 1.272 298 A HN 0.712 nan 8.150 nan 0.000 0.490 299 K N 0.436 120.863 120.400 0.046 0.000 2.221 299 K HA 0.226 4.544 4.320 -0.003 0.000 0.258 299 K C 0.803 177.397 176.600 -0.011 0.000 0.944 299 K CA -0.609 55.688 56.287 0.015 0.000 0.823 299 K CB 1.887 34.400 32.500 0.023 0.000 1.113 299 K HN 0.786 nan 8.250 nan 0.000 0.431 300 K N 1.904 122.289 120.400 -0.025 0.000 2.127 300 K HA -0.376 3.942 4.320 -0.003 0.000 0.212 300 K C 1.578 178.161 176.600 -0.027 0.000 1.050 300 K CA 2.123 58.387 56.287 -0.037 0.000 0.929 300 K CB 0.123 32.606 32.500 -0.028 0.000 0.715 300 K HN 0.492 nan 8.250 nan 0.000 0.457 301 Q N 0.642 120.436 119.800 -0.009 0.000 2.016 301 Q HA -0.128 4.211 4.340 -0.003 0.000 0.200 301 Q C 2.453 178.460 176.000 0.012 0.000 0.978 301 Q CA 2.187 57.989 55.803 -0.001 0.000 0.833 301 Q CB -0.368 28.371 28.738 0.001 0.000 0.895 301 Q HN 0.694 nan 8.270 nan 0.000 0.427 302 C N -0.832 118.487 119.300 0.032 0.000 2.422 302 C HA 0.027 4.485 4.460 -0.003 0.000 0.279 302 C C 2.364 177.408 174.990 0.089 0.000 1.305 302 C CA 0.197 59.259 59.018 0.074 0.000 1.757 302 C CB -1.381 26.428 27.740 0.114 0.000 1.962 302 C HN 0.494 nan 8.230 nan 0.000 0.499 303 L N 0.406 121.636 121.223 0.011 0.000 2.093 303 L HA -0.073 4.265 4.340 -0.003 0.000 0.208 303 L C 2.980 179.821 176.870 -0.049 0.000 1.085 303 L CA 1.385 56.169 54.840 -0.094 0.000 0.755 303 L CB -0.493 41.448 42.059 -0.197 0.000 0.904 303 L HN 0.344 nan 8.230 nan 0.000 0.435 304 L N -0.740 120.466 121.223 -0.028 0.000 2.027 304 L HA -0.182 4.157 4.340 -0.003 0.000 0.206 304 L C 2.844 179.715 176.870 0.002 0.000 1.074 304 L CA 1.146 55.975 54.840 -0.019 0.000 0.745 304 L CB -0.406 41.643 42.059 -0.017 0.000 0.898 304 L HN 0.204 nan 8.230 nan 0.000 0.433 305 R N 0.524 121.034 120.500 0.016 0.000 2.075 305 R HA -0.135 4.203 4.340 -0.003 0.000 0.232 305 R C 2.082 178.405 176.300 0.037 0.000 1.126 305 R CA 1.315 57.429 56.100 0.023 0.000 0.963 305 R CB -0.189 30.127 30.300 0.025 0.000 0.858 305 R HN 0.296 nan 8.270 nan 0.000 0.435 306 L N 0.055 121.317 121.223 0.065 0.000 2.610 306 L HA 0.140 4.478 4.340 -0.003 0.000 0.232 306 L C 1.110 178.025 176.870 0.074 0.000 1.149 306 L CA 0.640 55.536 54.840 0.094 0.000 0.872 306 L CB 0.205 42.380 42.059 0.192 0.000 0.992 306 L HN 0.631 nan 8.230 nan 0.000 0.447 307 G N -0.834 107.987 108.800 0.036 0.000 2.143 307 G HA2 -0.272 3.687 3.960 -0.003 0.000 0.248 307 G HA3 -0.272 3.687 3.960 -0.003 0.000 0.248 307 G C 0.752 175.652 174.900 -0.001 0.000 0.991 307 G CA 0.363 45.472 45.100 0.016 0.000 0.689 307 G HN 0.147 nan 8.290 nan 0.000 0.522 308 V N -0.053 119.848 119.914 -0.022 0.000 2.358 308 V HA 0.103 4.221 4.120 -0.003 0.000 0.246 308 V C 1.681 177.723 176.094 -0.087 0.000 1.047 308 V CA 1.889 64.142 62.300 -0.079 0.000 1.035 308 V CB -0.160 31.534 31.823 -0.215 0.000 0.658 308 V HN 0.421 nan 8.190 nan 0.000 0.452 309 L N 0.191 121.366 121.223 -0.081 0.000 2.265 309 L HA 0.379 4.717 4.340 -0.003 0.000 0.289 309 L C 1.406 178.251 176.870 -0.041 0.000 1.033 309 L CA -0.163 54.637 54.840 -0.067 0.000 0.814 309 L CB 1.181 43.197 42.059 -0.072 0.000 1.203 309 L HN 0.033 nan 8.230 nan 0.000 0.423 310 R N 1.250 121.728 120.500 -0.036 0.000 2.092 310 R HA -0.055 4.284 4.340 -0.003 0.000 0.231 310 R C 0.417 176.704 176.300 -0.021 0.000 1.119 310 R CA 1.236 57.322 56.100 -0.024 0.000 0.970 310 R CB 0.230 30.516 30.300 -0.022 0.000 0.864 310 R HN 0.597 nan 8.270 nan 0.000 0.440 311 Q N -0.017 119.768 119.800 -0.025 0.000 2.345 311 Q HA 0.102 4.440 4.340 -0.003 0.000 0.275 311 Q C -1.772 174.213 176.000 -0.024 0.000 1.063 311 Q CA -0.715 55.076 55.803 -0.021 0.000 0.819 311 Q CB 2.072 30.799 28.738 -0.018 0.000 1.356 311 Q HN -0.105 nan 8.270 nan 0.000 0.418 312 D N 2.417 122.805 120.400 -0.020 0.000 2.382 312 D HA 0.377 5.016 4.640 -0.003 0.000 0.245 312 D C -1.174 175.116 176.300 -0.017 0.000 1.120 312 D CA 0.392 54.380 54.000 -0.020 0.000 0.890 312 D CB 0.645 41.436 40.800 -0.015 0.000 1.201 312 D HN 0.478 nan 8.370 nan 0.000 0.433 313 L N 1.734 122.946 121.223 -0.018 0.000 2.472 313 L HA 0.127 4.466 4.340 -0.003 0.000 0.260 313 L C 1.437 178.300 176.870 -0.012 0.000 0.963 313 L CA -0.558 54.273 54.840 -0.015 0.000 0.829 313 L CB 2.110 44.159 42.059 -0.017 0.000 1.348 313 L HN 0.456 nan 8.230 nan 0.000 0.408 314 S N -0.269 115.426 115.700 -0.008 0.000 2.383 314 S HA 0.032 4.500 4.470 -0.003 0.000 0.227 314 S C 0.566 175.165 174.600 -0.003 0.000 1.026 314 S CA 0.447 58.644 58.200 -0.005 0.000 0.981 314 S CB -0.087 63.111 63.200 -0.002 0.000 0.818 314 S HN 0.530 nan 8.310 nan 0.000 0.472 315 E N 2.041 122.239 120.200 -0.004 0.000 2.180 315 E HA 0.256 4.605 4.350 -0.003 0.000 0.283 315 E C 0.524 177.121 176.600 -0.005 0.000 1.061 315 E CA -0.007 56.392 56.400 -0.001 0.000 0.861 315 E CB 1.207 30.907 29.700 0.000 0.000 1.056 315 E HN 0.336 nan 8.360 nan 0.000 0.407 316 T N 1.974 116.527 114.554 -0.001 0.000 2.821 316 T HA -0.159 4.190 4.350 -0.003 0.000 0.267 316 T C 1.238 175.934 174.700 -0.007 0.000 1.046 316 T CA 1.387 63.484 62.100 -0.005 0.000 1.139 316 T CB 0.003 68.873 68.868 0.005 0.000 0.871 316 T HN 0.543 nan 8.240 nan 0.000 0.454 317 D N 1.455 121.857 120.400 0.002 0.000 2.263 317 D HA -0.179 4.459 4.640 -0.003 0.000 0.208 317 D C 1.737 178.033 176.300 -0.008 0.000 0.971 317 D CA 1.049 55.050 54.000 0.003 0.000 0.867 317 D CB -0.202 40.606 40.800 0.013 0.000 0.929 317 D HN 0.422 nan 8.370 nan 0.000 0.492 318 Q N -0.598 119.196 119.800 -0.011 0.000 2.349 318 Q HA 0.140 4.479 4.340 -0.003 0.000 0.209 318 Q C 2.205 178.189 176.000 -0.026 0.000 0.920 318 Q CA -0.170 55.624 55.803 -0.016 0.000 0.901 318 Q CB 0.203 28.934 28.738 -0.011 0.000 1.021 318 Q HN 0.133 nan 8.270 nan 0.000 0.519 319 L N 0.459 121.666 121.223 -0.028 0.000 2.083 319 L HA -0.108 4.230 4.340 -0.003 0.000 0.209 319 L C 1.315 178.152 176.870 -0.055 0.000 1.083 319 L CA 1.778 56.595 54.840 -0.038 0.000 0.752 319 L CB 0.067 42.105 42.059 -0.035 0.000 0.899 319 L HN 0.166 nan 8.230 nan 0.000 0.433 320 L N -0.482 120.706 121.223 -0.058 0.000 2.700 320 L HA 0.344 4.682 4.340 -0.003 0.000 0.234 320 L C 1.095 177.915 176.870 -0.084 0.000 1.156 320 L CA -0.216 54.574 54.840 -0.084 0.000 0.946 320 L CB -0.568 41.435 42.059 -0.094 0.000 1.216 320 L HN 0.249 nan 8.230 nan 0.000 0.493 321 G N -0.180 108.585 108.800 -0.060 0.000 2.572 321 G HA2 0.122 4.080 3.960 -0.003 0.000 0.261 321 G HA3 0.122 4.080 3.960 -0.003 0.000 0.261 321 G C 0.693 175.559 174.900 -0.057 0.000 1.197 321 G CA -0.408 44.661 45.100 -0.052 0.000 0.870 321 G HN 0.119 nan 8.290 nan 0.000 0.548 322 K N 0.723 121.092 120.400 -0.052 0.000 2.103 322 K HA -0.152 4.166 4.320 -0.003 0.000 0.207 322 K C 2.691 179.264 176.600 -0.044 0.000 1.048 322 K CA 1.387 57.643 56.287 -0.052 0.000 0.930 322 K CB -0.134 32.341 32.500 -0.042 0.000 0.716 322 K HN 0.437 nan 8.250 nan 0.000 0.444 323 A N 1.449 124.248 122.820 -0.035 0.000 2.015 323 A HA -0.161 4.157 4.320 -0.003 0.000 0.219 323 A C 1.879 179.443 177.584 -0.033 0.000 1.163 323 A CA 1.684 53.704 52.037 -0.029 0.000 0.646 323 A CB -0.360 18.627 19.000 -0.022 0.000 0.806 323 A HN 0.278 nan 8.150 nan 0.000 0.448 324 N N -0.610 118.066 118.700 -0.040 0.000 2.415 324 N HA -0.013 4.725 4.740 -0.003 0.000 0.174 324 N C 0.329 175.806 175.510 -0.055 0.000 1.048 324 N CA 0.868 53.892 53.050 -0.043 0.000 0.895 324 N CB 0.180 38.642 38.487 -0.043 0.000 1.036 324 N HN 0.252 nan 8.380 nan 0.000 0.449 325 V N 0.733 120.607 119.914 -0.066 0.000 2.389 325 V HA 0.397 4.515 4.120 -0.003 0.000 0.264 325 V C 0.125 176.178 176.094 -0.069 0.000 1.049 325 V CA -1.006 61.245 62.300 -0.082 0.000 0.932 325 V CB 0.745 32.504 31.823 -0.106 0.000 1.011 325 V HN -0.178 nan 8.190 nan 0.000 0.475 326 V N 7.911 127.789 119.914 -0.060 0.000 2.439 326 V HA 0.186 4.304 4.120 -0.003 0.000 0.271 326 V C -1.016 175.048 176.094 -0.049 0.000 1.040 326 V CA -0.775 61.498 62.300 -0.044 0.000 1.002 326 V CB 0.970 32.777 31.823 -0.028 0.000 1.000 326 V HN 0.769 nan 8.190 nan 0.000 0.477 327 P HA -0.063 nan 4.420 nan 0.000 0.217 327 P C 1.504 178.776 177.300 -0.047 0.000 1.151 327 P CA 0.761 63.821 63.100 -0.067 0.000 0.828 327 P CB 0.374 32.032 31.700 -0.070 0.000 0.788 328 E N 0.101 120.290 120.200 -0.020 0.000 2.023 328 E HA -0.184 4.165 4.350 -0.003 0.000 0.196 328 E C 2.105 178.728 176.600 0.038 0.000 1.003 328 E CA 1.788 58.194 56.400 0.009 0.000 0.809 328 E CB -1.032 28.677 29.700 0.014 0.000 0.755 328 E HN 0.155 nan 8.360 nan 0.000 0.449 329 A N 1.180 124.021 122.820 0.035 0.000 1.930 329 A HA -0.144 4.174 4.320 -0.003 0.000 0.217 329 A C 2.259 179.908 177.584 0.108 0.000 1.175 329 A CA 1.217 53.296 52.037 0.069 0.000 0.627 329 A CB -0.573 18.456 19.000 0.047 0.000 0.815 329 A HN 0.225 nan 8.150 nan 0.000 0.443 330 L N -0.182 121.067 121.223 0.043 0.000 2.017 330 L HA -0.210 4.128 4.340 -0.003 0.000 0.208 330 L C 2.446 179.390 176.870 0.122 0.000 1.073 330 L CA 2.391 57.255 54.840 0.041 0.000 0.745 330 L CB -0.749 41.277 42.059 -0.056 0.000 0.894 330 L HN 0.502 nan 8.230 nan 0.000 0.432 331 Q N -0.737 119.096 119.800 0.055 0.000 2.061 331 Q HA -0.230 4.109 4.340 -0.003 0.000 0.204 331 Q C 2.315 178.518 176.000 0.339 0.000 0.984 331 Q CA 2.170 58.030 55.803 0.094 0.000 0.846 331 Q CB -0.155 28.579 28.738 -0.007 0.000 0.902 331 Q HN 0.505 nan 8.270 nan 0.000 0.421 332 R N -0.857 119.783 120.500 0.233 0.000 2.193 332 R HA -0.058 4.280 4.340 -0.003 0.000 0.213 332 R C 1.934 178.345 176.300 0.185 0.000 1.055 332 R CA 0.639 56.856 56.100 0.195 0.000 0.995 332 R CB -0.149 30.227 30.300 0.125 0.000 0.893 332 R HN 0.218 nan 8.270 nan 0.000 0.459 333 F N 1.450 121.450 119.950 0.084 0.000 2.102 333 F HA -0.179 4.346 4.527 -0.003 0.000 0.298 333 F C 2.313 178.162 175.800 0.082 0.000 1.105 333 F CA 1.586 59.622 58.000 0.061 0.000 1.239 333 F CB -0.167 38.860 39.000 0.044 0.000 0.991 333 F HN -0.023 nan 8.300 nan 0.000 0.474 334 A N 0.180 123.232 122.820 0.385 0.000 1.873 334 A HA -0.178 4.140 4.320 -0.003 0.000 0.215 334 A C 2.237 179.937 177.584 0.194 0.000 1.186 334 A CA 1.666 53.907 52.037 0.340 0.000 0.616 334 A CB -0.819 18.474 19.000 0.488 0.000 0.823 334 A HN 0.418 nan 8.150 nan 0.000 0.442 335 R N -0.396 120.240 120.500 0.228 0.000 2.096 335 R HA -0.076 4.262 4.340 -0.003 0.000 0.235 335 R C 2.211 178.397 176.300 -0.189 0.000 1.127 335 R CA 1.525 57.589 56.100 -0.060 0.000 0.968 335 R CB -0.382 29.923 30.300 0.008 0.000 0.861 335 R HN 0.454 nan 8.270 nan 0.000 0.440 336 A N 0.237 122.985 122.820 -0.121 0.000 1.897 336 A HA -0.003 4.316 4.320 -0.003 0.000 0.215 336 A C 2.309 179.767 177.584 -0.209 0.000 1.181 336 A CA 1.387 53.326 52.037 -0.164 0.000 0.620 336 A CB -0.773 18.134 19.000 -0.156 0.000 0.821 336 A HN 0.482 nan 8.150 nan 0.000 0.443 337 A N -0.197 122.470 122.820 -0.256 0.000 1.972 337 A HA 0.188 4.507 4.320 -0.003 0.000 0.219 337 A C 2.411 179.834 177.584 -0.267 0.000 1.169 337 A CA 1.952 53.848 52.037 -0.235 0.000 0.635 337 A CB -0.774 18.091 19.000 -0.225 0.000 0.810 337 A HN 0.959 nan 8.150 nan 0.000 0.446 338 A N -0.388 122.150 122.820 -0.469 0.000 1.930 338 A HA -0.094 4.225 4.320 -0.003 0.000 0.215 338 A C 1.787 179.045 177.584 -0.544 0.000 1.176 338 A CA 1.525 53.054 52.037 -0.847 0.000 0.632 338 A CB -0.443 17.832 19.000 -1.208 0.000 0.819 338 A HN 0.405 nan 8.150 nan 0.000 0.445 339 D N -1.035 119.132 120.400 -0.389 0.000 2.182 339 D HA -0.147 4.491 4.640 -0.003 0.000 0.201 339 D C 1.549 177.727 176.300 -0.203 0.000 0.986 339 D CA 1.313 55.147 54.000 -0.277 0.000 0.847 339 D CB -0.249 40.431 40.800 -0.199 0.000 0.942 339 D HN 0.510 nan 8.370 nan 0.000 0.467 340 F N 1.320 121.087 119.950 -0.305 0.000 2.149 340 F HA 0.048 4.573 4.527 -0.003 0.000 0.294 340 F C 2.194 177.686 175.800 -0.514 0.000 1.095 340 F CA 1.340 59.153 58.000 -0.311 0.000 1.276 340 F CB -0.304 38.571 39.000 -0.208 0.000 1.023 340 F HN -0.088 nan 8.300 nan 0.000 0.480 341 A N -0.281 122.281 122.820 -0.431 0.000 2.024 341 A HA -0.181 4.137 4.320 -0.003 0.000 0.220 341 A C 2.019 179.236 177.584 -0.611 0.000 1.164 341 A CA 2.277 54.002 52.037 -0.521 0.000 0.643 341 A CB -1.522 17.394 19.000 -0.141 0.000 0.806 341 A HN 0.559 nan 8.150 nan 0.000 0.451 342 T N -6.052 108.186 114.554 -0.526 0.000 3.040 342 T HA 0.164 4.513 4.350 -0.003 0.000 0.250 342 T C 0.468 174.983 174.700 -0.308 0.000 1.058 342 T CA 0.499 62.357 62.100 -0.404 0.000 0.988 342 T CB -0.277 68.391 68.868 -0.334 0.000 0.993 342 T HN 0.585 nan 8.240 nan 0.000 0.519 343 H N 1.117 119.988 119.070 -0.332 0.000 2.839 343 H HA -0.153 4.402 4.556 -0.003 0.000 0.298 343 H C 1.460 176.674 175.328 -0.190 0.000 1.224 343 H CA 0.742 56.628 56.048 -0.270 0.000 1.144 343 H CB -2.000 27.607 29.762 -0.258 0.000 1.372 343 H HN 0.889 nan 8.280 nan 0.000 0.408 344 G N 0.136 108.853 108.800 -0.138 0.000 2.179 344 G HA2 -0.376 3.582 3.960 -0.003 0.000 0.257 344 G HA3 -0.376 3.582 3.960 -0.003 0.000 0.257 344 G C 1.219 176.047 174.900 -0.121 0.000 1.010 344 G CA 0.737 45.759 45.100 -0.130 0.000 0.736 344 G HN 0.421 nan 8.290 nan 0.000 0.513 345 K N -0.592 119.729 120.400 -0.131 0.000 2.400 345 K HA 0.313 4.632 4.320 -0.003 0.000 0.194 345 K C 2.394 178.912 176.600 -0.137 0.000 1.033 345 K CA 0.200 56.421 56.287 -0.111 0.000 1.021 345 K CB 0.107 32.553 32.500 -0.090 0.000 0.808 345 K HN 0.530 nan 8.250 nan 0.000 0.505 346 L N -0.214 120.889 121.223 -0.199 0.000 2.270 346 L HA 0.008 4.346 4.340 -0.003 0.000 0.210 346 L C 1.273 178.036 176.870 -0.178 0.000 1.104 346 L CA 0.612 55.311 54.840 -0.234 0.000 0.804 346 L CB -0.471 41.371 42.059 -0.362 0.000 0.937 346 L HN 0.316 nan 8.230 nan 0.000 0.450 347 G N 0.519 109.219 108.800 -0.166 0.000 2.512 347 G HA2 -0.332 3.627 3.960 -0.003 0.000 0.254 347 G HA3 -0.332 3.627 3.960 -0.003 0.000 0.254 347 G C -0.028 174.781 174.900 -0.152 0.000 1.199 347 G CA -0.185 44.838 45.100 -0.129 0.000 0.941 347 G HN 0.175 nan 8.290 nan 0.000 0.569 348 K N 0.311 120.646 120.400 -0.109 0.000 2.412 348 K HA 0.419 4.738 4.320 -0.003 0.000 0.281 348 K C -0.222 176.299 176.600 -0.132 0.000 1.027 348 K CA 0.025 56.248 56.287 -0.105 0.000 0.989 348 K CB -0.104 32.361 32.500 -0.057 0.000 0.935 348 K HN 0.399 nan 8.250 nan 0.000 0.475 349 L N 4.985 126.099 121.223 -0.182 0.000 2.342 349 L HA 0.262 4.600 4.340 -0.003 0.000 0.276 349 L C -0.398 176.390 176.870 -0.137 0.000 0.997 349 L CA -0.722 53.974 54.840 -0.239 0.000 0.838 349 L CB 1.610 43.318 42.059 -0.584 0.000 1.224 349 L HN 0.529 nan 8.230 nan 0.000 0.416 350 E N 3.375 123.570 120.200 -0.009 0.000 2.174 350 E HA 0.317 4.666 4.350 -0.003 0.000 0.282 350 E C -0.587 176.106 176.600 0.154 0.000 0.992 350 E CA -0.521 55.928 56.400 0.081 0.000 0.803 350 E CB 1.455 31.215 29.700 0.100 0.000 1.090 350 E HN 0.183 nan 8.360 nan 0.000 0.396 351 F N 1.299 121.395 119.950 0.243 0.000 2.506 351 F HA 0.151 4.677 4.527 -0.003 0.000 0.351 351 F C 1.362 177.227 175.800 0.109 0.000 1.136 351 F CA -0.082 58.029 58.000 0.184 0.000 1.298 351 F CB 0.446 39.514 39.000 0.113 0.000 1.145 351 F HN 0.418 nan 8.300 nan 0.000 0.593 352 A N 2.200 125.177 122.820 0.262 0.000 2.346 352 A HA 0.308 4.627 4.320 -0.003 0.000 0.252 352 A C -0.260 177.430 177.584 0.178 0.000 1.089 352 A CA -0.578 51.542 52.037 0.138 0.000 0.797 352 A CB 0.172 19.173 19.000 0.002 0.000 1.047 352 A HN 0.706 nan 8.150 nan 0.000 0.494 353 Q N 0.279 120.174 119.800 0.157 0.000 2.286 353 Q HA 0.275 4.613 4.340 -0.003 0.000 0.257 353 Q C 0.383 176.529 176.000 0.243 0.000 0.941 353 Q CA 0.414 56.321 55.803 0.174 0.000 0.912 353 Q CB 1.134 29.958 28.738 0.144 0.000 1.192 353 Q HN 0.796 nan 8.270 nan 0.000 0.410 354 D N 2.061 122.549 120.400 0.147 0.000 2.096 354 D HA -0.140 4.498 4.640 -0.003 0.000 0.200 354 D C 0.586 176.908 176.300 0.036 0.000 0.980 354 D CA 1.581 55.640 54.000 0.098 0.000 0.860 354 D CB -0.060 40.770 40.800 0.049 0.000 1.005 354 D HN 0.467 nan 8.370 nan 0.000 0.449 355 A N -2.279 120.559 122.820 0.031 0.000 2.692 355 A HA 0.374 4.692 4.320 -0.003 0.000 0.175 355 A C 1.657 179.253 177.584 0.020 0.000 1.537 355 A CA -0.141 51.903 52.037 0.011 0.000 1.134 355 A CB 0.246 19.242 19.000 -0.007 0.000 1.419 355 A HN 0.043 nan 8.150 nan 0.000 0.514 356 R N -1.209 119.307 120.500 0.025 0.000 2.167 356 R HA 0.434 4.772 4.340 -0.003 0.000 0.195 356 R C 1.270 177.587 176.300 0.029 0.000 1.027 356 R CA 1.369 57.482 56.100 0.021 0.000 1.114 356 R CB 0.558 30.866 30.300 0.012 0.000 1.075 356 R HN 0.736 nan 8.270 nan 0.000 0.538 357 G N -0.151 108.671 108.800 0.037 0.000 3.771 357 G HA2 -0.030 3.928 3.960 -0.003 0.000 0.221 357 G HA3 -0.030 3.928 3.960 -0.003 0.000 0.221 357 G C -0.493 174.433 174.900 0.043 0.000 0.897 357 G CA -0.707 44.420 45.100 0.044 0.000 1.034 357 G HN 0.006 nan 8.290 nan 0.000 0.720 358 R N 0.278 120.798 120.500 0.034 0.000 2.832 358 R HA 0.604 4.943 4.340 -0.003 0.000 0.271 358 R C -2.674 173.629 176.300 0.006 0.000 0.996 358 R CA -2.172 53.934 56.100 0.011 0.000 0.977 358 R CB 1.316 31.603 30.300 -0.022 0.000 1.168 358 R HN -0.091 nan 8.270 nan 0.000 0.482 359 P HA -0.217 nan 4.420 nan 0.000 0.262 359 P C -0.679 176.514 177.300 -0.178 0.000 1.151 359 P CA 0.782 63.767 63.100 -0.192 0.000 0.757 359 P CB 0.335 31.634 31.700 -0.668 0.000 0.754 360 D N 3.432 123.827 120.400 -0.007 0.000 2.619 360 D HA 0.171 4.809 4.640 -0.003 0.000 0.224 360 D C -0.970 175.334 176.300 0.007 0.000 1.133 360 D CA 0.217 54.254 54.000 0.060 0.000 1.017 360 D CB -0.197 40.713 40.800 0.183 0.000 1.077 360 D HN -0.041 nan 8.370 nan 0.000 0.503 361 V N 1.523 121.370 119.914 -0.112 0.000 2.567 361 V HA 0.706 4.824 4.120 -0.003 0.000 0.298 361 V C -1.447 174.613 176.094 -0.056 0.000 1.047 361 V CA -0.515 61.740 62.300 -0.074 0.000 0.880 361 V CB 1.400 33.112 31.823 -0.186 0.000 1.009 361 V HN 0.362 nan 8.190 nan 0.000 0.429 362 A N 5.793 128.630 122.820 0.029 0.000 2.359 362 A HA 0.961 5.279 4.320 -0.003 0.000 0.303 362 A C 0.084 177.606 177.584 -0.103 0.000 1.066 362 A CA -0.046 51.937 52.037 -0.090 0.000 0.730 362 A CB 1.624 20.544 19.000 -0.133 0.000 1.211 362 A HN 1.962 nan 8.150 nan 0.000 0.439 363 A N 1.571 124.258 122.820 -0.222 0.000 2.386 363 A HA 0.738 5.056 4.320 -0.003 0.000 0.248 363 A C -0.692 176.665 177.584 -0.379 0.000 1.082 363 A CA 0.401 52.314 52.037 -0.206 0.000 0.789 363 A CB -0.076 18.801 19.000 -0.205 0.000 1.025 363 A HN 0.820 nan 8.150 nan 0.000 0.490 364 F N -0.690 119.174 119.950 -0.143 0.000 2.643 364 F HA 0.398 4.924 4.527 -0.003 0.000 0.314 364 F C -0.455 175.197 175.800 -0.248 0.000 1.096 364 F CA -0.595 57.334 58.000 -0.117 0.000 0.953 364 F CB 2.205 41.222 39.000 0.029 0.000 1.345 364 F HN 0.562 nan 8.300 nan 0.000 0.468 365 D N 1.095 121.590 120.400 0.158 0.000 2.412 365 D HA 0.292 4.930 4.640 -0.003 0.000 0.224 365 D C -0.437 175.988 176.300 0.209 0.000 1.093 365 D CA -0.083 53.965 54.000 0.080 0.000 0.850 365 D CB 0.236 41.084 40.800 0.081 0.000 1.046 365 D HN 0.183 nan 8.370 nan 0.000 0.507 366 F N 2.307 122.213 119.950 -0.073 0.000 2.660 366 F HA 0.165 4.690 4.527 -0.003 0.000 0.297 366 F C 1.903 177.734 175.800 0.052 0.000 1.132 366 F CA -0.212 57.714 58.000 -0.124 0.000 1.372 366 F CB -0.526 38.377 39.000 -0.162 0.000 1.003 366 F HN 0.281 nan 8.300 nan 0.000 0.524 367 T N -1.384 113.287 114.554 0.195 0.000 2.755 367 T HA -0.022 4.326 4.350 -0.003 0.000 0.251 367 T C 1.080 175.842 174.700 0.103 0.000 1.044 367 T CA 0.789 62.972 62.100 0.138 0.000 1.154 367 T CB -0.087 68.830 68.868 0.082 0.000 0.866 367 T HN -0.003 nan 8.240 nan 0.000 0.416 368 S N 1.915 117.660 115.700 0.075 0.000 2.584 368 S HA 0.433 4.901 4.470 -0.003 0.000 0.273 368 S C -0.189 174.438 174.600 0.046 0.000 1.311 368 S CA -0.336 57.895 58.200 0.052 0.000 1.034 368 S CB 0.469 63.695 63.200 0.044 0.000 0.939 368 S HN 0.202 nan 8.310 nan 0.000 0.513 369 M N 3.547 123.169 119.600 0.037 0.000 2.027 369 M HA 0.349 4.827 4.480 -0.003 0.000 0.329 369 M C -0.838 175.483 176.300 0.035 0.000 0.971 369 M CA 0.044 55.364 55.300 0.033 0.000 0.933 369 M CB 0.479 33.092 32.600 0.021 0.000 1.392 369 M HN 0.502 nan 8.290 nan 0.000 0.394 370 M N 4.546 124.169 119.600 0.039 0.000 2.216 370 M HA 0.525 5.004 4.480 -0.003 0.000 0.356 370 M C 0.257 176.591 176.300 0.057 0.000 1.205 370 M CA 0.123 55.450 55.300 0.045 0.000 1.122 370 M CB 0.977 33.603 32.600 0.044 0.000 1.571 370 M HN 0.506 nan 8.290 nan 0.000 0.464 371 R N 1.443 121.985 120.500 0.070 0.000 2.629 371 R HA 0.770 5.108 4.340 -0.003 0.000 0.266 371 R C -1.718 174.659 176.300 0.128 0.000 1.051 371 R CA -0.979 55.187 56.100 0.109 0.000 0.895 371 R CB 1.099 31.486 30.300 0.145 0.000 1.246 371 R HN 0.688 nan 8.270 nan 0.000 0.459 372 A N 1.262 124.167 122.820 0.142 0.000 2.388 372 A HA 0.122 4.440 4.320 -0.003 0.000 0.257 372 A C 0.884 178.619 177.584 0.251 0.000 1.095 372 A CA -0.266 51.860 52.037 0.148 0.000 0.791 372 A CB 0.621 19.666 19.000 0.075 0.000 1.029 372 A HN 1.024 nan 8.150 nan 0.000 0.489 373 E N 0.598 120.919 120.200 0.202 0.000 2.204 373 E HA -0.099 4.249 4.350 -0.003 0.000 0.195 373 E C 0.455 177.220 176.600 0.274 0.000 0.990 373 E CA 1.231 57.748 56.400 0.195 0.000 0.821 373 E CB 0.062 29.832 29.700 0.116 0.000 0.750 373 E HN 0.775 nan 8.360 nan 0.000 0.477 374 S N -1.588 114.268 115.700 0.260 0.000 2.569 374 S HA 0.279 4.747 4.470 -0.003 0.000 0.280 374 S C 0.356 174.994 174.600 0.062 0.000 1.111 374 S CA -0.304 58.024 58.200 0.213 0.000 0.887 374 S CB 1.692 64.967 63.200 0.125 0.000 1.095 374 S HN 0.070 nan 8.310 nan 0.000 0.476 375 S N 0.361 115.973 115.700 -0.146 0.000 2.503 375 S HA 0.605 5.073 4.470 -0.003 0.000 0.215 375 S C 0.640 175.254 174.600 0.023 0.000 1.003 375 S CA 0.229 58.227 58.200 -0.336 0.000 0.910 375 S CB -0.217 62.616 63.200 -0.611 0.000 0.790 375 S HN 1.495 nan 8.310 nan 0.000 0.514 376 A N 0.545 123.473 122.820 0.179 0.000 2.593 376 A HA 0.894 5.213 4.320 -0.003 0.000 0.290 376 A C -0.760 176.870 177.584 0.077 0.000 1.126 376 A CA -1.078 51.084 52.037 0.209 0.000 0.695 376 A CB 1.365 20.409 19.000 0.072 0.000 1.290 376 A HN 0.302 nan 8.150 nan 0.000 0.414 377 R N -1.066 119.434 120.500 0.000 0.000 2.734 377 R HA 0.650 4.988 4.340 -0.003 0.000 0.271 377 R C -1.942 174.323 176.300 -0.059 0.000 1.021 377 R CA -0.728 55.282 56.100 -0.150 0.000 0.893 377 R CB 2.450 32.454 30.300 -0.494 0.000 1.244 377 R HN 0.515 nan 8.270 nan 0.000 0.464 378 V N 1.522 121.450 119.914 0.022 0.000 2.588 378 V HA 0.376 4.494 4.120 -0.003 0.000 0.304 378 V C -0.755 175.383 176.094 0.073 0.000 1.042 378 V CA -0.771 61.600 62.300 0.118 0.000 0.877 378 V CB 1.849 33.894 31.823 0.369 0.000 0.996 378 V HN 0.622 nan 8.190 nan 0.000 0.425 379 Q N 3.071 122.827 119.800 -0.072 0.000 2.381 379 Q HA 0.374 4.713 4.340 -0.003 0.000 0.263 379 Q C -0.718 175.309 176.000 0.044 0.000 1.030 379 Q CA -0.295 55.436 55.803 -0.119 0.000 0.772 379 Q CB 2.072 30.578 28.738 -0.387 0.000 1.232 379 Q HN 0.725 nan 8.270 nan 0.000 0.476 380 E N 3.595 123.898 120.200 0.171 0.000 2.175 380 E HA 0.370 4.719 4.350 -0.003 0.000 0.278 380 E C -1.412 175.335 176.600 0.244 0.000 0.969 380 E CA -0.288 56.277 56.400 0.274 0.000 0.796 380 E CB 1.282 31.110 29.700 0.213 0.000 1.104 380 E HN 0.407 nan 8.360 nan 0.000 0.395 381 K N 3.201 123.761 120.400 0.267 0.000 2.561 381 K HA 0.169 4.488 4.320 -0.003 0.000 0.254 381 K C -1.037 175.493 176.600 -0.116 0.000 0.942 381 K CA -0.515 55.736 56.287 -0.062 0.000 0.818 381 K CB 0.614 32.970 32.500 -0.239 0.000 1.306 381 K HN 0.619 nan 8.250 nan 0.000 0.435 382 H N 1.423 120.495 119.070 0.004 0.000 2.861 382 H HA -0.230 4.324 4.556 -0.003 0.000 0.289 382 H C 0.818 176.153 175.328 0.013 0.000 1.176 382 H CA 1.883 57.920 56.048 -0.019 0.000 1.146 382 H CB -1.536 28.181 29.762 -0.076 0.000 1.330 382 H HN 1.143 nan 8.280 nan 0.000 0.379 383 G N -1.219 107.669 108.800 0.145 0.000 2.454 383 G HA2 -0.211 3.747 3.960 -0.003 0.000 0.225 383 G HA3 -0.211 3.747 3.960 -0.003 0.000 0.225 383 G C 0.690 175.692 174.900 0.170 0.000 1.138 383 G CA 0.652 45.830 45.100 0.128 0.000 0.667 383 G HN 1.428 nan 8.290 nan 0.000 0.512 384 A N 1.788 124.722 122.820 0.190 0.000 2.526 384 A HA 0.507 4.825 4.320 -0.003 0.000 0.267 384 A C 0.785 178.678 177.584 0.515 0.000 1.095 384 A CA 0.617 52.830 52.037 0.294 0.000 0.775 384 A CB -0.080 19.031 19.000 0.185 0.000 1.036 384 A HN 0.509 nan 8.150 nan 0.000 0.510 385 R N 2.050 122.802 120.500 0.420 0.000 2.255 385 R HA 0.372 4.710 4.340 -0.003 0.000 0.326 385 R C -1.204 175.289 176.300 0.321 0.000 0.986 385 R CA -0.735 55.619 56.100 0.423 0.000 0.847 385 R CB 1.330 31.874 30.300 0.407 0.000 1.111 385 R HN 0.608 nan 8.270 nan 0.000 0.452 386 L N 5.314 126.479 121.223 -0.095 0.000 2.276 386 L HA 0.299 4.637 4.340 -0.003 0.000 0.286 386 L C -1.056 175.608 176.870 -0.343 0.000 1.024 386 L CA -0.779 53.802 54.840 -0.432 0.000 0.826 386 L CB 1.137 42.441 42.059 -1.259 0.000 1.211 386 L HN 0.424 nan 8.230 nan 0.000 0.422 387 L N 5.985 126.858 121.223 -0.583 0.000 2.367 387 L HA 0.457 4.795 4.340 -0.003 0.000 0.275 387 L C -1.132 175.520 176.870 -0.364 0.000 1.129 387 L CA 0.364 54.776 54.840 -0.713 0.000 0.839 387 L CB 0.694 41.876 42.059 -1.463 0.000 1.133 387 L HN 0.592 nan 8.230 nan 0.000 0.453 388 L N 5.575 126.685 121.223 -0.188 0.000 2.343 388 L HA 0.756 5.095 4.340 -0.003 0.000 0.278 388 L C 0.285 177.219 176.870 0.107 0.000 0.996 388 L CA 0.011 54.846 54.840 -0.008 0.000 0.831 388 L CB 1.686 43.827 42.059 0.136 0.000 1.232 388 L HN 0.749 nan 8.230 nan 0.000 0.413 389 G N 3.582 112.366 108.800 -0.027 0.000 2.495 389 G HA2 0.736 4.695 3.960 -0.003 0.000 0.318 389 G HA3 0.736 4.695 3.960 -0.003 0.000 0.318 389 G C -1.174 173.585 174.900 -0.235 0.000 1.257 389 G CA -0.556 44.498 45.100 -0.075 0.000 0.962 389 G HN 0.348 nan 8.290 nan 0.000 0.483 390 L N 1.511 122.537 121.223 -0.327 0.000 2.309 390 L HA 0.680 5.018 4.340 -0.003 0.000 0.282 390 L C -0.546 176.173 176.870 -0.252 0.000 1.036 390 L CA -1.002 53.596 54.840 -0.403 0.000 0.806 390 L CB 1.949 43.655 42.059 -0.589 0.000 1.220 390 L HN 0.160 nan 8.230 nan 0.000 0.429 391 V N 1.752 121.546 119.914 -0.200 0.000 2.733 391 V HA 0.874 4.992 4.120 -0.003 0.000 0.306 391 V C 0.367 176.401 176.094 -0.100 0.000 1.084 391 V CA 0.013 62.234 62.300 -0.132 0.000 0.905 391 V CB 1.243 32.997 31.823 -0.115 0.000 1.010 391 V HN 1.072 nan 8.190 nan 0.000 0.424 392 G N 4.102 112.865 108.800 -0.062 0.000 2.475 392 G HA2 -0.173 3.786 3.960 -0.003 0.000 0.223 392 G HA3 -0.173 3.786 3.960 -0.003 0.000 0.223 392 G C 0.101 174.991 174.900 -0.017 0.000 1.201 392 G CA 0.411 45.492 45.100 -0.031 0.000 0.962 392 G HN 0.630 nan 8.290 nan 0.000 0.586 393 D N 0.117 120.518 120.400 0.002 0.000 2.310 393 D HA 0.004 4.642 4.640 -0.003 0.000 0.212 393 D C 2.418 178.731 176.300 0.021 0.000 0.965 393 D CA 1.788 55.809 54.000 0.034 0.000 0.879 393 D CB -0.328 40.514 40.800 0.070 0.000 0.921 393 D HN 0.895 nan 8.370 nan 0.000 0.510 394 C N -0.792 118.498 119.300 -0.017 0.000 2.618 394 C HA 0.287 4.745 4.460 -0.003 0.000 0.264 394 C C 2.043 176.971 174.990 -0.103 0.000 1.334 394 C CA -0.524 58.465 59.018 -0.048 0.000 1.731 394 C CB -1.072 26.629 27.740 -0.064 0.000 1.852 394 C HN 0.164 nan 8.230 nan 0.000 0.566 395 L N 2.390 123.558 121.223 -0.092 0.000 2.187 395 L HA 0.422 4.760 4.340 -0.003 0.000 0.197 395 L C 0.832 177.713 176.870 0.018 0.000 1.090 395 L CA 1.944 56.718 54.840 -0.110 0.000 0.781 395 L CB -0.158 41.809 42.059 -0.153 0.000 0.956 395 L HN 0.418 nan 8.230 nan 0.000 0.463 396 V N -1.533 118.417 119.914 0.060 0.000 2.656 396 V HA 0.517 4.635 4.120 -0.003 0.000 0.307 396 V C -0.449 175.688 176.094 0.071 0.000 1.051 396 V CA -0.796 61.564 62.300 0.100 0.000 0.893 396 V CB 1.386 33.296 31.823 0.145 0.000 0.999 396 V HN 0.329 nan 8.190 nan 0.000 0.426 397 E N 5.981 126.222 120.200 0.068 0.000 2.105 397 E HA 0.432 4.781 4.350 -0.003 0.000 0.285 397 E C -2.339 174.298 176.600 0.062 0.000 1.055 397 E CA -2.017 54.420 56.400 0.062 0.000 0.843 397 E CB 1.283 31.008 29.700 0.042 0.000 1.067 397 E HN 0.736 nan 8.360 nan 0.000 0.398 398 P HA 0.020 nan 4.420 nan 0.000 0.275 398 P C -0.867 176.460 177.300 0.045 0.000 1.228 398 P CA -0.177 62.995 63.100 0.119 0.000 0.786 398 P CB 0.454 32.261 31.700 0.178 0.000 0.927 399 F N 2.757 122.655 119.950 -0.087 0.000 2.390 399 F HA 0.205 4.730 4.527 -0.003 0.000 0.361 399 F C 0.751 176.496 175.800 -0.093 0.000 1.124 399 F CA -0.329 57.536 58.000 -0.224 0.000 1.149 399 F CB 0.343 39.264 39.000 -0.132 0.000 1.160 399 F HN 0.311 nan 8.300 nan 0.000 0.501 400 W N 4.989 125.845 121.300 -0.739 0.000 2.335 400 W HA -0.111 4.547 4.660 -0.003 0.000 0.311 400 W C -0.377 175.982 176.519 -0.268 0.000 1.213 400 W CA 1.038 58.088 57.345 -0.492 0.000 1.274 400 W CB -2.391 26.720 29.460 -0.583 0.000 1.148 400 W HN 0.442 nan 8.180 nan 0.000 0.498 401 P HA -0.172 nan 4.420 nan 0.000 0.217 401 P C 2.031 179.441 177.300 0.184 0.000 1.148 401 P CA 1.311 64.465 63.100 0.091 0.000 0.828 401 P CB -0.230 31.550 31.700 0.134 0.000 0.783 402 L N -1.857 119.522 121.223 0.260 0.000 2.201 402 L HA -0.012 4.326 4.340 -0.003 0.000 0.212 402 L C 1.534 178.537 176.870 0.222 0.000 1.105 402 L CA 2.135 57.129 54.840 0.256 0.000 0.775 402 L CB -1.859 40.382 42.059 0.303 0.000 0.913 402 L HN 0.223 nan 8.230 nan 0.000 0.440 403 G N 0.014 108.932 108.800 0.197 0.000 2.221 403 G HA2 -0.319 3.640 3.960 -0.003 0.000 0.265 403 G HA3 -0.319 3.640 3.960 -0.003 0.000 0.265 403 G C 0.784 175.802 174.900 0.198 0.000 1.041 403 G CA 0.736 45.953 45.100 0.194 0.000 0.807 403 G HN 0.440 nan 8.290 nan 0.000 0.502 404 T N -3.199 111.438 114.554 0.139 0.000 3.105 404 T HA 0.470 4.819 4.350 -0.003 0.000 0.253 404 T C 2.140 176.746 174.700 -0.156 0.000 1.047 404 T CA 0.999 63.094 62.100 -0.009 0.000 0.944 404 T CB 0.892 69.856 68.868 0.160 0.000 1.016 404 T HN 0.938 nan 8.240 nan 0.000 0.544 405 G N 1.970 110.712 108.800 -0.097 0.000 2.464 405 G HA2 -0.121 3.837 3.960 -0.003 0.000 0.214 405 G HA3 -0.121 3.837 3.960 -0.003 0.000 0.214 405 G C 1.418 176.198 174.900 -0.200 0.000 1.218 405 G CA 0.979 46.022 45.100 -0.096 0.000 0.794 405 G HN 0.421 nan 8.290 nan 0.000 0.542 406 V N 1.701 121.424 119.914 -0.318 0.000 2.358 406 V HA -0.084 4.035 4.120 -0.003 0.000 0.246 406 V C 3.352 179.105 176.094 -0.568 0.000 1.047 406 V CA 1.940 63.953 62.300 -0.478 0.000 1.035 406 V CB -0.938 30.501 31.823 -0.640 0.000 0.658 406 V HN 0.487 nan 8.190 nan 0.000 0.452 407 A N 0.150 122.593 122.820 -0.628 0.000 1.892 407 A HA -0.282 4.036 4.320 -0.003 0.000 0.218 407 A C 2.378 179.782 177.584 -0.301 0.000 1.188 407 A CA 2.286 53.951 52.037 -0.621 0.000 0.631 407 A CB -0.522 17.501 19.000 -1.627 0.000 0.822 407 A HN 0.510 nan 8.150 nan 0.000 0.447 408 R N -1.219 119.088 120.500 -0.323 0.000 2.153 408 R HA 0.009 4.348 4.340 -0.003 0.000 0.218 408 R C 2.311 178.593 176.300 -0.030 0.000 1.072 408 R CA 0.711 56.738 56.100 -0.123 0.000 0.990 408 R CB -0.391 29.867 30.300 -0.070 0.000 0.889 408 R HN 0.542 nan 8.270 nan 0.000 0.452 409 G N 0.107 108.888 108.800 -0.031 0.000 2.408 409 G HA2 -0.222 3.736 3.960 -0.003 0.000 0.217 409 G HA3 -0.222 3.736 3.960 -0.003 0.000 0.217 409 G C 0.977 175.940 174.900 0.104 0.000 1.150 409 G CA 0.379 45.501 45.100 0.036 0.000 0.776 409 G HN 0.146 nan 8.290 nan 0.000 0.542 410 F N 0.714 120.532 119.950 -0.220 0.000 2.259 410 F HA 0.232 4.758 4.527 -0.002 0.000 0.298 410 F C 2.544 177.948 175.800 -0.660 0.000 1.088 410 F CA 0.069 57.840 58.000 -0.382 0.000 1.358 410 F CB -0.331 38.506 39.000 -0.272 0.000 1.040 410 F HN 0.036 nan 8.300 nan 0.000 0.505 411 L N -0.844 120.293 121.223 -0.145 0.000 2.044 411 L HA -0.120 4.219 4.340 -0.003 0.000 0.205 411 L C 2.662 179.511 176.870 -0.035 0.000 1.075 411 L CA 1.156 55.900 54.840 -0.159 0.000 0.747 411 L CB -1.139 40.900 42.059 -0.034 0.000 0.903 411 L HN 0.051 nan 8.230 nan 0.000 0.435 412 A N 0.135 122.954 122.820 -0.001 0.000 2.024 412 A HA -0.135 4.184 4.320 -0.003 0.000 0.220 412 A C 2.470 180.043 177.584 -0.019 0.000 1.164 412 A CA 1.646 53.691 52.037 0.014 0.000 0.643 412 A CB -0.532 18.464 19.000 -0.007 0.000 0.806 412 A HN 0.420 nan 8.150 nan 0.000 0.451 413 A N -1.033 121.725 122.820 -0.103 0.000 1.929 413 A HA 0.171 4.489 4.320 -0.003 0.000 0.216 413 A C 1.816 179.465 177.584 0.108 0.000 1.176 413 A CA 1.288 53.264 52.037 -0.100 0.000 0.628 413 A CB -0.519 18.310 19.000 -0.285 0.000 0.816 413 A HN 0.424 nan 8.150 nan 0.000 0.444 414 F N 0.851 120.842 119.950 0.067 0.000 2.149 414 F HA -0.016 4.510 4.527 -0.003 0.000 0.294 414 F C 1.938 177.819 175.800 0.134 0.000 1.095 414 F CA 0.641 58.695 58.000 0.091 0.000 1.276 414 F CB -1.169 37.869 39.000 0.064 0.000 1.023 414 F HN 0.188 nan 8.300 nan 0.000 0.480 415 D N 0.422 121.008 120.400 0.309 0.000 2.149 415 D HA -0.150 4.489 4.640 -0.003 0.000 0.198 415 D C 2.331 178.776 176.300 0.242 0.000 0.990 415 D CA 1.501 55.663 54.000 0.270 0.000 0.839 415 D CB -0.598 40.334 40.800 0.219 0.000 0.948 415 D HN 0.219 nan 8.370 nan 0.000 0.460 416 A N 0.944 123.858 122.820 0.157 0.000 1.898 416 A HA 0.038 4.356 4.320 -0.003 0.000 0.216 416 A C 2.320 179.973 177.584 0.114 0.000 1.181 416 A CA 2.010 54.101 52.037 0.091 0.000 0.620 416 A CB -0.698 18.309 19.000 0.012 0.000 0.819 416 A HN 0.230 nan 8.150 nan 0.000 0.442 417 A N -1.246 121.674 122.820 0.166 0.000 1.902 417 A HA -0.190 4.128 4.320 -0.003 0.000 0.217 417 A C 2.115 179.821 177.584 0.203 0.000 1.181 417 A CA 1.353 53.492 52.037 0.170 0.000 0.623 417 A CB -0.926 18.206 19.000 0.219 0.000 0.818 417 A HN 0.858 nan 8.150 nan 0.000 0.443 418 W N 0.306 121.652 121.300 0.078 0.000 2.363 418 W HA -0.208 4.451 4.660 -0.001 0.000 0.296 418 W C 2.091 178.651 176.519 0.068 0.000 1.212 418 W CA 1.952 59.332 57.345 0.058 0.000 1.260 418 W CB -0.241 29.255 29.460 0.060 0.000 1.131 418 W HN 0.455 nan 8.180 nan 0.000 0.530 419 M N 0.568 120.270 119.600 0.169 0.000 2.108 419 M HA -0.232 4.246 4.480 -0.003 0.000 0.261 419 M C 1.725 178.046 176.300 0.035 0.000 1.066 419 M CA 2.186 57.534 55.300 0.080 0.000 1.107 419 M CB -0.596 32.066 32.600 0.104 0.000 1.356 419 M HN -0.176 nan 8.290 nan 0.000 0.406 420 V N 0.828 120.755 119.914 0.022 0.000 2.358 420 V HA -0.273 3.845 4.120 -0.003 0.000 0.246 420 V C 2.442 178.574 176.094 0.062 0.000 1.047 420 V CA 2.073 64.394 62.300 0.035 0.000 1.035 420 V CB -1.068 30.746 31.823 -0.014 0.000 0.658 420 V HN 0.539 nan 8.190 nan 0.000 0.452 421 K N 0.283 120.648 120.400 -0.059 0.000 2.044 421 K HA -0.231 4.088 4.320 -0.003 0.000 0.210 421 K C 2.458 178.936 176.600 -0.204 0.000 1.049 421 K CA 1.618 57.810 56.287 -0.159 0.000 0.927 421 K CB -0.132 32.162 32.500 -0.342 0.000 0.713 421 K HN 0.346 nan 8.250 nan 0.000 0.443 422 R N 0.119 120.439 120.500 -0.300 0.000 2.070 422 R HA -0.188 4.150 4.340 -0.003 0.000 0.233 422 R C 2.202 178.479 176.300 -0.038 0.000 1.137 422 R CA 1.515 57.482 56.100 -0.221 0.000 0.945 422 R CB -1.000 29.162 30.300 -0.229 0.000 0.845 422 R HN 0.566 nan 8.270 nan 0.000 0.430 423 W N 1.977 123.196 121.300 -0.135 0.000 2.304 423 W HA -0.267 4.393 4.660 -0.001 0.000 0.315 423 W C 1.944 178.421 176.519 -0.071 0.000 1.233 423 W CA 2.153 59.447 57.345 -0.085 0.000 1.261 423 W CB -0.393 29.033 29.460 -0.057 0.000 1.150 423 W HN 0.130 nan 8.180 nan 0.000 0.494 424 A N 0.911 123.843 122.820 0.187 0.000 1.908 424 A HA -0.262 4.056 4.320 -0.003 0.000 0.218 424 A C 1.751 179.306 177.584 -0.049 0.000 1.181 424 A CA 2.010 54.097 52.037 0.084 0.000 0.627 424 A CB -1.100 17.957 19.000 0.096 0.000 0.818 424 A HN 0.527 nan 8.150 nan 0.000 0.445 425 E N -1.184 118.971 120.200 -0.076 0.000 2.463 425 E HA 0.135 4.483 4.350 -0.003 0.000 0.201 425 E C 1.053 177.577 176.600 -0.127 0.000 1.045 425 E CA 0.313 56.655 56.400 -0.096 0.000 0.872 425 E CB -0.370 29.266 29.700 -0.106 0.000 0.797 425 E HN 0.820 nan 8.360 nan 0.000 0.538 426 G N 0.513 109.196 108.800 -0.196 0.000 2.225 426 G HA2 -0.324 3.635 3.960 -0.003 0.000 0.264 426 G HA3 -0.324 3.635 3.960 -0.003 0.000 0.264 426 G C 0.837 175.602 174.900 -0.225 0.000 1.060 426 G CA 0.260 45.207 45.100 -0.256 0.000 0.833 426 G HN 0.409 nan 8.290 nan 0.000 0.498 427 A N -0.488 122.208 122.820 -0.206 0.000 1.883 427 A HA 0.511 4.829 4.320 -0.003 0.000 0.217 427 A C 2.132 179.623 177.584 -0.154 0.000 1.186 427 A CA 2.258 54.209 52.037 -0.143 0.000 0.624 427 A CB -0.173 18.768 19.000 -0.098 0.000 0.822 427 A HN 2.694 nan 8.150 nan 0.000 0.444 428 G N -2.793 105.876 108.800 -0.217 0.000 3.088 428 G HA2 0.210 4.169 3.960 -0.003 0.000 0.620 428 G HA3 0.210 4.169 3.960 -0.003 0.000 0.620 428 G C -1.663 173.104 174.900 -0.222 0.000 1.375 428 G CA -0.301 44.661 45.100 -0.229 0.000 1.016 428 G HN 0.015 nan 8.290 nan 0.000 0.590 429 P HA -0.260 nan 4.420 nan 0.000 0.219 429 P C 2.471 179.602 177.300 -0.282 0.000 1.159 429 P CA 2.659 65.534 63.100 -0.374 0.000 0.944 429 P CB -0.029 31.076 31.700 -0.993 0.000 0.792 430 L N -1.083 119.944 121.223 -0.325 0.000 2.042 430 L HA -0.182 4.157 4.340 -0.003 0.000 0.210 430 L C 2.394 179.226 176.870 -0.064 0.000 1.076 430 L CA 2.490 57.239 54.840 -0.152 0.000 0.749 430 L CB -1.838 40.160 42.059 -0.101 0.000 0.893 430 L HN 0.089 nan 8.230 nan 0.000 0.432 431 E N 1.350 121.512 120.200 -0.063 0.000 2.230 431 E HA -0.079 4.270 4.350 -0.003 0.000 0.192 431 E C 2.005 178.612 176.600 0.012 0.000 0.987 431 E CA 1.083 57.471 56.400 -0.020 0.000 0.841 431 E CB -0.470 29.215 29.700 -0.026 0.000 0.783 431 E HN 0.462 nan 8.360 nan 0.000 0.481 432 V N 0.282 120.206 119.914 0.017 0.000 2.358 432 V HA -0.204 3.915 4.120 -0.003 0.000 0.246 432 V C 2.430 178.576 176.094 0.086 0.000 1.047 432 V CA 1.322 63.666 62.300 0.073 0.000 1.035 432 V CB -0.924 30.988 31.823 0.148 0.000 0.658 432 V HN 0.218 nan 8.190 nan 0.000 0.452 433 L N 0.820 122.084 121.223 0.068 0.000 2.046 433 L HA -0.106 4.232 4.340 -0.003 0.000 0.208 433 L C 3.043 179.952 176.870 0.064 0.000 1.077 433 L CA 1.730 56.609 54.840 0.065 0.000 0.747 433 L CB -0.940 41.147 42.059 0.047 0.000 0.896 433 L HN 0.420 nan 8.230 nan 0.000 0.432 434 A N -0.406 122.444 122.820 0.050 0.000 1.908 434 A HA -0.231 4.087 4.320 -0.003 0.000 0.218 434 A C 2.223 179.845 177.584 0.064 0.000 1.181 434 A CA 1.679 53.746 52.037 0.049 0.000 0.627 434 A CB -0.436 18.584 19.000 0.033 0.000 0.818 434 A HN 0.426 nan 8.150 nan 0.000 0.445 435 E N -0.898 119.350 120.200 0.080 0.000 2.017 435 E HA -0.248 4.100 4.350 -0.003 0.000 0.193 435 E C 2.337 179.009 176.600 0.120 0.000 0.997 435 E CA 1.457 57.923 56.400 0.110 0.000 0.804 435 E CB -0.178 29.615 29.700 0.155 0.000 0.757 435 E HN 0.487 nan 8.360 nan 0.000 0.448 436 R N 1.319 121.897 120.500 0.130 0.000 2.112 436 R HA -0.196 4.142 4.340 -0.003 0.000 0.242 436 R C 2.027 178.400 176.300 0.122 0.000 1.137 436 R CA 1.833 58.010 56.100 0.129 0.000 0.944 436 R CB -0.299 30.064 30.300 0.106 0.000 0.857 436 R HN 0.091 nan 8.270 nan 0.000 0.435 437 E N -0.011 120.259 120.200 0.118 0.000 2.153 437 E HA -0.101 4.248 4.350 -0.003 0.000 0.194 437 E C 2.048 178.715 176.600 0.112 0.000 0.988 437 E CA 1.453 57.944 56.400 0.152 0.000 0.811 437 E CB -0.219 29.556 29.700 0.124 0.000 0.746 437 E HN 0.346 nan 8.360 nan 0.000 0.466 438 S N 0.775 116.511 115.700 0.061 0.000 2.423 438 S HA -0.083 4.385 4.470 -0.003 0.000 0.231 438 S C 2.001 176.571 174.600 -0.049 0.000 1.014 438 S CA 0.621 58.825 58.200 0.006 0.000 0.965 438 S CB -0.044 63.160 63.200 0.007 0.000 0.785 438 S HN 0.109 nan 8.310 nan 0.000 0.495 439 L N -0.323 120.882 121.223 -0.030 0.000 2.131 439 L HA 0.055 4.394 4.340 -0.003 0.000 0.206 439 L C 2.156 178.986 176.870 -0.068 0.000 1.087 439 L CA 1.038 55.791 54.840 -0.144 0.000 0.767 439 L CB -0.683 41.343 42.059 -0.054 0.000 0.917 439 L HN 0.247 nan 8.230 nan 0.000 0.441 440 Y N 1.001 121.257 120.300 -0.074 0.000 2.207 440 Y HA -0.270 4.279 4.550 -0.003 0.000 0.287 440 Y C 2.458 178.329 175.900 -0.048 0.000 1.156 440 Y CA 1.404 59.483 58.100 -0.035 0.000 1.182 440 Y CB -0.443 38.021 38.460 0.006 0.000 0.979 440 Y HN 0.266 nan 8.280 nan 0.000 0.521 441 Q N -0.431 119.276 119.800 -0.156 0.000 2.368 441 Q HA -0.172 4.167 4.340 -0.003 0.000 0.210 441 Q C 1.995 177.880 176.000 -0.192 0.000 0.982 441 Q CA 1.365 57.034 55.803 -0.223 0.000 0.884 441 Q CB -0.128 28.530 28.738 -0.134 0.000 0.933 441 Q HN 0.517 nan 8.270 nan 0.000 0.460 442 L N -0.861 120.251 121.223 -0.185 0.000 2.354 442 L HA -0.065 4.274 4.340 -0.003 0.000 0.212 442 L C 1.976 178.823 176.870 -0.039 0.000 1.091 442 L CA -0.103 54.643 54.840 -0.158 0.000 0.828 442 L CB -0.073 41.771 42.059 -0.358 0.000 0.973 442 L HN 0.213 nan 8.230 nan 0.000 0.461 443 L N -0.174 121.048 121.223 -0.003 0.000 1.990 443 L HA -0.238 4.100 4.340 -0.003 0.000 0.213 443 L C 2.503 179.431 176.870 0.098 0.000 1.072 443 L CA 1.948 56.860 54.840 0.120 0.000 0.755 443 L CB -0.497 41.692 42.059 0.216 0.000 0.889 443 L HN 0.095 nan 8.230 nan 0.000 0.432 444 S N -1.320 114.394 115.700 0.022 0.000 2.474 444 S HA -0.150 4.318 4.470 -0.003 0.000 0.235 444 S C 1.672 176.303 174.600 0.051 0.000 0.997 444 S CA 0.938 59.156 58.200 0.030 0.000 0.949 444 S CB -0.154 63.028 63.200 -0.031 0.000 0.766 444 S HN 0.493 nan 8.310 nan 0.000 0.517 445 Q N 0.868 120.696 119.800 0.047 0.000 2.282 445 Q HA 0.155 4.493 4.340 -0.003 0.000 0.206 445 Q C 0.550 176.617 176.000 0.112 0.000 0.878 445 Q CA 0.056 55.893 55.803 0.056 0.000 0.944 445 Q CB 0.352 29.097 28.738 0.012 0.000 1.100 445 Q HN 0.578 nan 8.270 nan 0.000 0.509 446 T N -1.062 113.603 114.554 0.183 0.000 2.898 446 T HA 0.536 4.884 4.350 -0.003 0.000 0.301 446 T C 0.294 175.204 174.700 0.350 0.000 1.049 446 T CA -0.288 61.976 62.100 0.273 0.000 1.095 446 T CB 1.318 70.403 68.868 0.363 0.000 0.976 446 T HN 0.157 nan 8.240 nan 0.000 0.539 447 S N 0.375 116.206 115.700 0.219 0.000 2.565 447 S HA 0.499 4.967 4.470 -0.003 0.000 0.269 447 S C -2.779 171.639 174.600 -0.302 0.000 1.153 447 S CA -1.428 56.711 58.200 -0.101 0.000 0.835 447 S CB 1.482 64.629 63.200 -0.089 0.000 1.122 447 S HN 0.364 nan 8.310 nan 0.000 0.462 448 P HA -0.071 nan 4.420 nan 0.000 0.220 448 P C 0.739 177.936 177.300 -0.173 0.000 1.144 448 P CA 1.345 64.199 63.100 -0.410 0.000 0.800 448 P CB 0.081 31.465 31.700 -0.528 0.000 0.772 449 E N -0.338 119.764 120.200 -0.163 0.000 2.051 449 E HA -0.114 4.235 4.350 -0.003 0.000 0.189 449 E C 1.495 178.065 176.600 -0.050 0.000 0.979 449 E CA 1.165 57.513 56.400 -0.087 0.000 0.803 449 E CB -1.114 28.538 29.700 -0.080 0.000 0.761 449 E HN 0.433 nan 8.360 nan 0.000 0.451 450 N N -0.518 118.161 118.700 -0.034 0.000 2.521 450 N HA -0.011 4.728 4.740 -0.003 0.000 0.188 450 N C 0.292 175.793 175.510 -0.015 0.000 1.146 450 N CA 0.362 53.403 53.050 -0.015 0.000 0.893 450 N CB 0.044 38.538 38.487 0.011 0.000 0.975 450 N HN 0.093 nan 8.380 nan 0.000 0.451 451 M N -0.309 119.290 119.600 -0.002 0.000 2.706 451 M HA 0.243 4.721 4.480 -0.003 0.000 0.304 451 M C -0.087 176.227 176.300 0.025 0.000 1.217 451 M CA -0.916 54.388 55.300 0.007 0.000 0.922 451 M CB 1.185 33.838 32.600 0.088 0.000 1.637 451 M HN 0.025 nan 8.290 nan 0.000 0.492 452 H N 1.426 120.571 119.070 0.125 0.000 3.001 452 H HA 0.002 4.556 4.556 -0.003 0.000 0.334 452 H C 0.704 176.126 175.328 0.157 0.000 1.034 452 H CA 0.869 57.008 56.048 0.151 0.000 1.420 452 H CB 0.666 30.531 29.762 0.171 0.000 1.405 452 H HN 0.559 nan 8.280 nan 0.000 0.593 453 R N 2.314 122.952 120.500 0.230 0.000 2.090 453 R HA -0.106 4.233 4.340 -0.003 0.000 0.228 453 R C 0.610 176.938 176.300 0.046 0.000 1.110 453 R CA 1.113 57.273 56.100 0.100 0.000 0.973 453 R CB -0.119 30.225 30.300 0.072 0.000 0.869 453 R HN 0.272 nan 8.270 nan 0.000 0.440 454 N N 1.558 120.304 118.700 0.076 0.000 2.739 454 N HA 0.009 4.747 4.740 -0.003 0.000 0.266 454 N C 0.868 176.320 175.510 -0.097 0.000 1.168 454 N CA -0.185 52.861 53.050 -0.006 0.000 1.055 454 N CB 1.331 39.819 38.487 0.001 0.000 1.393 454 N HN 0.265 nan 8.380 nan 0.000 0.514 455 V N 0.807 120.530 119.914 -0.318 0.000 2.970 455 V HA -0.020 4.098 4.120 -0.003 0.000 0.260 455 V C 1.971 177.727 176.094 -0.563 0.000 1.100 455 V CA 1.409 63.273 62.300 -0.727 0.000 1.122 455 V CB -1.007 30.499 31.823 -0.529 0.000 0.721 455 V HN 0.489 nan 8.190 nan 0.000 0.483 456 A N 0.009 122.567 122.820 -0.437 0.000 1.908 456 A HA -0.244 4.074 4.320 -0.003 0.000 0.218 456 A C 2.161 179.601 177.584 -0.240 0.000 1.181 456 A CA 2.115 53.858 52.037 -0.489 0.000 0.627 456 A CB -0.443 18.470 19.000 -0.145 0.000 0.818 456 A HN 0.646 nan 8.150 nan 0.000 0.445 457 Q N -1.057 118.698 119.800 -0.075 0.000 2.241 457 Q HA 0.188 4.526 4.340 -0.003 0.000 0.296 457 Q C -1.322 174.744 176.000 0.109 0.000 0.889 457 Q CA -0.543 55.267 55.803 0.012 0.000 1.089 457 Q CB 0.202 28.936 28.738 -0.007 0.000 1.195 457 Q HN 0.562 nan 8.270 nan 0.000 0.451 458 Y N -0.370 119.875 120.300 -0.091 0.000 2.569 458 Y HA 0.374 4.922 4.550 -0.002 0.000 0.332 458 Y C 0.921 176.738 175.900 -0.139 0.000 1.120 458 Y CA 0.178 58.233 58.100 -0.076 0.000 1.416 458 Y CB 0.687 39.189 38.460 0.069 0.000 1.210 458 Y HN 0.234 nan 8.280 nan 0.000 0.528 459 G N 2.395 111.099 108.800 -0.160 0.000 3.176 459 G HA2 0.367 4.325 3.960 -0.003 0.000 0.272 459 G HA3 0.367 4.325 3.960 -0.003 0.000 0.272 459 G C 0.403 175.053 174.900 -0.417 0.000 1.349 459 G CA -0.812 44.115 45.100 -0.288 0.000 0.953 459 G HN 0.585 nan 8.290 nan 0.000 0.559 460 L N -0.259 120.743 121.223 -0.368 0.000 2.083 460 L HA 0.003 4.342 4.340 -0.003 0.000 0.209 460 L C 1.025 177.684 176.870 -0.352 0.000 1.083 460 L CA 0.675 55.397 54.840 -0.197 0.000 0.752 460 L CB -0.103 41.985 42.059 0.048 0.000 0.899 460 L HN 0.375 nan 8.230 nan 0.000 0.433 461 D N 1.098 121.165 120.400 -0.556 0.000 2.451 461 D HA -0.030 4.608 4.640 -0.003 0.000 0.254 461 D C -1.485 174.368 176.300 -0.745 0.000 1.204 461 D CA -1.378 51.969 54.000 -1.089 0.000 0.896 461 D CB 1.302 41.751 40.800 -0.585 0.000 1.136 461 D HN 0.045 nan 8.370 nan 0.000 0.499 462 P HA -0.105 nan 4.420 nan 0.000 0.225 462 P C 0.837 178.024 177.300 -0.189 0.000 1.148 462 P CA 0.578 63.482 63.100 -0.327 0.000 0.779 462 P CB 0.173 31.754 31.700 -0.198 0.000 0.780 463 A N 0.404 123.071 122.820 -0.255 0.000 2.066 463 A HA -0.090 4.229 4.320 -0.003 0.000 0.218 463 A C 2.193 179.683 177.584 -0.156 0.000 1.157 463 A CA 1.929 53.891 52.037 -0.126 0.000 0.670 463 A CB -1.625 17.302 19.000 -0.121 0.000 0.804 463 A HN 0.366 nan 8.150 nan 0.000 0.453 464 T N -3.106 111.281 114.554 -0.277 0.000 3.023 464 T HA 0.031 4.379 4.350 -0.003 0.000 0.266 464 T C 1.782 176.213 174.700 -0.449 0.000 1.093 464 T CA 1.082 62.985 62.100 -0.329 0.000 1.129 464 T CB -0.063 68.632 68.868 -0.289 0.000 0.899 464 T HN 0.552 nan 8.240 nan 0.000 0.491 465 R N -0.713 119.460 120.500 -0.544 0.000 2.107 465 R HA 0.286 4.625 4.340 -0.003 0.000 0.195 465 R C -0.240 175.827 176.300 -0.389 0.000 1.214 465 R CA -0.133 55.378 56.100 -0.983 0.000 1.129 465 R CB 0.018 29.519 30.300 -1.333 0.000 1.045 465 R HN 0.317 nan 8.270 nan 0.000 0.489 466 Y N 3.112 123.320 120.300 -0.154 0.000 2.436 466 Y HA 0.208 4.756 4.550 -0.003 0.000 0.336 466 Y C -2.075 173.752 175.900 -0.121 0.000 1.049 466 Y CA -2.864 55.163 58.100 -0.121 0.000 1.294 466 Y CB -0.058 38.337 38.460 -0.108 0.000 1.179 466 Y HN 0.064 nan 8.280 nan 0.000 0.520 467 P HA 0.026 nan 4.420 nan 0.000 0.276 467 P C -0.498 176.757 177.300 -0.075 0.000 1.244 467 P CA -0.471 62.422 63.100 -0.345 0.000 0.801 467 P CB 0.561 31.927 31.700 -0.556 0.000 1.006 468 N N -0.301 118.386 118.700 -0.022 0.000 2.669 468 N HA -0.192 4.546 4.740 -0.003 0.000 0.266 468 N C -0.599 174.909 175.510 -0.002 0.000 1.024 468 N CA 0.334 53.382 53.050 -0.003 0.000 0.766 468 N CB -0.759 37.716 38.487 -0.019 0.000 0.898 468 N HN 0.474 nan 8.380 nan 0.000 0.548 469 L N 1.041 122.273 121.223 0.015 0.000 2.380 469 L HA 0.156 4.495 4.340 -0.003 0.000 0.273 469 L C 0.591 177.454 176.870 -0.011 0.000 1.138 469 L CA 0.016 54.856 54.840 -0.000 0.000 0.832 469 L CB 0.681 42.747 42.059 0.012 0.000 1.124 469 L HN 0.211 nan 8.230 nan 0.000 0.454 470 N N 3.934 122.616 118.700 -0.030 0.000 2.623 470 N HA 0.243 4.982 4.740 -0.003 0.000 0.256 470 N C 0.204 175.702 175.510 -0.020 0.000 1.045 470 N CA -0.348 52.690 53.050 -0.021 0.000 0.863 470 N CB 0.872 39.345 38.487 -0.025 0.000 1.182 470 N HN 0.570 nan 8.380 nan 0.000 0.523 471 L N 1.254 122.478 121.223 0.002 0.000 2.599 471 L HA 0.224 4.562 4.340 -0.003 0.000 0.230 471 L C 1.456 178.343 176.870 0.028 0.000 1.141 471 L CA 0.319 55.173 54.840 0.023 0.000 0.877 471 L CB 0.071 42.165 42.059 0.059 0.000 1.009 471 L HN 0.290 nan 8.230 nan 0.000 0.447 472 R N -0.182 120.328 120.500 0.016 0.000 2.552 472 R HA 0.289 4.628 4.340 -0.003 0.000 0.314 472 R C 1.572 177.876 176.300 0.006 0.000 1.041 472 R CA 0.322 56.431 56.100 0.015 0.000 1.076 472 R CB 0.286 30.595 30.300 0.014 0.000 1.290 472 R HN 0.135 nan 8.270 nan 0.000 0.563 473 A N 0.252 123.071 122.820 -0.001 0.000 1.972 473 A HA -0.031 4.288 4.320 -0.003 0.000 0.219 473 A C 0.925 178.508 177.584 -0.002 0.000 1.169 473 A CA 0.982 53.013 52.037 -0.010 0.000 0.635 473 A CB 0.360 19.344 19.000 -0.026 0.000 0.810 473 A HN 0.014 nan 8.150 nan 0.000 0.446 474 V N 1.286 121.205 119.914 0.009 0.000 2.407 474 V HA 0.329 4.447 4.120 -0.003 0.000 0.291 474 V C 0.219 176.325 176.094 0.020 0.000 1.018 474 V CA -0.305 62.004 62.300 0.016 0.000 0.842 474 V CB 1.256 33.095 31.823 0.027 0.000 0.996 474 V HN 0.476 nan 8.190 nan 0.000 0.426 475 T N 2.942 117.506 114.554 0.016 0.000 2.913 475 T HA 0.259 4.607 4.350 -0.003 0.000 0.297 475 T C -1.736 172.975 174.700 0.018 0.000 1.029 475 T CA -1.584 60.525 62.100 0.015 0.000 1.104 475 T CB 1.321 70.196 68.868 0.012 0.000 0.964 475 T HN 0.417 nan 8.240 nan 0.000 0.532 476 P HA -0.072 nan 4.420 nan 0.000 0.226 476 P C 0.767 178.080 177.300 0.022 0.000 1.146 476 P CA 0.696 63.804 63.100 0.015 0.000 0.773 476 P CB -0.148 31.553 31.700 0.002 0.000 0.772 477 N N -0.382 118.330 118.700 0.021 0.000 2.188 477 N HA -0.142 4.596 4.740 -0.003 0.000 0.184 477 N C 1.575 177.101 175.510 0.027 0.000 1.018 477 N CA 1.085 54.150 53.050 0.024 0.000 0.858 477 N CB -0.914 37.584 38.487 0.018 0.000 0.989 477 N HN 0.303 nan 8.380 nan 0.000 0.426 478 Q N -0.049 119.767 119.800 0.025 0.000 2.369 478 Q HA 0.033 4.372 4.340 -0.003 0.000 0.206 478 Q C 0.928 176.948 176.000 0.033 0.000 0.963 478 Q CA 0.733 56.551 55.803 0.026 0.000 0.894 478 Q CB 0.249 29.001 28.738 0.023 0.000 0.965 478 Q HN 0.436 nan 8.270 nan 0.000 0.475 479 V N -2.879 117.058 119.914 0.038 0.000 3.249 479 V HA 0.127 4.245 4.120 -0.003 0.000 0.338 479 V C 1.172 177.305 176.094 0.064 0.000 1.363 479 V CA -0.031 62.297 62.300 0.046 0.000 1.205 479 V CB 0.012 31.863 31.823 0.046 0.000 1.164 479 V HN 0.140 nan 8.190 nan 0.000 0.458 480 Q N 1.797 121.634 119.800 0.063 0.000 2.167 480 Q HA -0.163 4.175 4.340 -0.003 0.000 0.202 480 Q C 1.992 178.032 176.000 0.067 0.000 0.970 480 Q CA 1.920 57.775 55.803 0.085 0.000 0.855 480 Q CB -0.112 28.663 28.738 0.062 0.000 0.911 480 Q HN 0.940 nan 8.270 nan 0.000 0.438 481 D N 0.181 120.602 120.400 0.035 0.000 2.348 481 D HA -0.147 4.492 4.640 -0.003 0.000 0.216 481 D C 1.486 177.781 176.300 -0.009 0.000 0.970 481 D CA 0.686 54.690 54.000 0.007 0.000 0.889 481 D CB 0.050 40.850 40.800 -0.001 0.000 0.912 481 D HN 0.319 nan 8.370 nan 0.000 0.524 482 L N -0.841 120.391 121.223 0.015 0.000 2.416 482 L HA 0.034 4.372 4.340 -0.003 0.000 0.216 482 L C 0.642 177.541 176.870 0.047 0.000 1.098 482 L CA -0.011 54.819 54.840 -0.017 0.000 0.840 482 L CB -0.143 41.910 42.059 -0.011 0.000 0.981 482 L HN -0.019 nan 8.230 nan 0.000 0.462 483 Y N 2.090 122.365 120.300 -0.041 0.000 2.714 483 Y HA 0.224 4.771 4.550 -0.004 0.000 0.333 483 Y C -0.246 175.644 175.900 -0.016 0.000 1.220 483 Y CA -1.957 56.133 58.100 -0.017 0.000 1.513 483 Y CB -0.517 37.949 38.460 0.011 0.000 1.435 483 Y HN -0.007 nan 8.280 nan 0.000 0.489 484 D N 5.333 125.664 120.400 -0.114 0.000 2.349 484 D HA 0.056 4.695 4.640 -0.003 0.000 0.266 484 D C -0.133 175.984 176.300 -0.306 0.000 1.293 484 D CA 0.461 54.353 54.000 -0.180 0.000 0.926 484 D CB 0.384 41.127 40.800 -0.096 0.000 1.090 484 D HN 0.514 nan 8.370 nan 0.000 0.502 485 M N 5.162 124.525 119.600 -0.395 0.000 3.117 485 M HA 0.118 4.596 4.480 -0.003 0.000 0.292 485 M C 0.997 177.203 176.300 -0.157 0.000 1.357 485 M CA -0.291 54.794 55.300 -0.359 0.000 1.463 485 M CB 0.575 32.915 32.600 -0.433 0.000 1.105 485 M HN 0.545 nan 8.290 nan 0.000 0.553 486 M N 0.466 120.016 119.600 -0.084 0.000 2.260 486 M HA -0.192 4.286 4.480 -0.003 0.000 0.261 486 M C 0.878 177.138 176.300 -0.065 0.000 1.066 486 M CA 1.605 56.874 55.300 -0.051 0.000 1.082 486 M CB -0.116 32.480 32.600 -0.006 0.000 1.388 486 M HN 0.511 nan 8.290 nan 0.000 0.419 487 D N 0.000 120.360 120.400 -0.067 0.000 6.856 487 D HA 0.000 4.638 4.640 -0.003 0.000 0.175 487 D CA 0.000 53.977 54.000 -0.037 0.000 0.868 487 D CB 0.000 40.782 40.800 -0.030 0.000 0.688 487 D HN 0.000 nan 8.370 nan 0.000 0.683