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 1mxb_1_A DATA FIRST_RESID 1 DATA SEQUENCE AKHLFTSESV SEGHPDKIAD QISDAVLDAI LEQDPKARVA CETYVKTGMV DATA SEQUENCE LVGGEITTSA WVDIEEITRN TVREIGYVHS DMGFDANSCA VLSAIGKQSP DATA SEQUENCE DIXXXXXRAD PLEQGAGDQG LMFGYATNET DVLMPAPITY AHRLVQRQAE DATA SEQUENCE VRKNGTLPWL RPDAKSQVTF QYDDGKIVGI DAVVLSTQHS EEIDQKSLQE DATA SEQUENCE AVMEEIIKPI LPAEWLTSAT KFFINPTGRF VIGGPMGDCG LTGRKIIVDT DATA SEQUENCE YGGMARHGGG AFSGKDPSKV DRSAAYAARY VAKNIVAAGL ADRCEIQVSY DATA SEQUENCE AIGVAEPTSI MVETFGTEKV PSEQLTLLVR EFFDLRPYGL IQMLDLLHPI DATA SEQUENCE YKETAAYGHF GREHFPWEKT DKAQLLRDAA GLK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.316 177.584 -0.447 0.000 1.274 1 A CA 0.000 51.868 52.037 -0.282 0.000 0.836 1 A CB 0.000 18.824 19.000 -0.293 0.000 0.831 2 K N 1.108 121.389 120.400 -0.199 0.000 2.412 2 K HA 0.087 nan 4.320 nan 0.000 0.281 2 K C -0.814 175.770 176.600 -0.027 0.000 1.027 2 K CA 1.058 57.302 56.287 -0.071 0.000 0.989 2 K CB 0.319 32.818 32.500 -0.002 0.000 0.935 2 K HN 0.321 8.495 8.250 -0.128 0.000 0.475 3 H N 0.541 119.653 119.070 0.071 0.000 3.121 3 H HA 0.180 nan 4.556 nan 0.000 0.337 3 H C -2.430 172.951 175.328 0.087 0.000 1.198 3 H CA -1.455 54.626 56.048 0.055 0.000 1.274 3 H CB 0.603 30.379 29.762 0.023 0.000 1.954 3 H HN 0.564 9.066 8.280 0.370 0.000 0.531 4 L N 1.463 122.795 121.223 0.182 0.000 2.331 4 L HA 0.735 nan 4.340 nan 0.000 0.275 4 L C -1.311 175.615 176.870 0.094 0.000 1.022 4 L CA -1.032 53.892 54.840 0.140 0.000 0.812 4 L CB 2.476 44.588 42.059 0.089 0.000 1.257 4 L HN 0.275 8.598 8.230 0.155 0.000 0.435 5 F N 2.980 122.890 119.950 -0.067 0.000 2.591 5 F HA 0.339 nan 4.527 nan 0.000 0.309 5 F C -2.297 173.490 175.800 -0.022 0.000 1.098 5 F CA -0.357 57.557 58.000 -0.144 0.000 0.937 5 F CB 4.386 43.165 39.000 -0.369 0.000 1.250 5 F HN 0.416 8.857 8.300 0.234 0.000 0.447 6 T N 8.255 122.383 114.554 -0.709 0.000 2.908 6 T HA 0.617 nan 4.350 nan 0.000 0.290 6 T C -1.751 172.731 174.700 -0.363 0.000 1.034 6 T CA -1.141 60.758 62.100 -0.335 0.000 1.010 6 T CB 2.140 70.860 68.868 -0.246 0.000 1.068 6 T HN -0.000 7.389 8.240 -1.418 0.000 0.481 7 S N 1.196 116.852 115.700 -0.073 0.000 2.536 7 S HA 0.437 nan 4.470 nan 0.000 0.271 7 S C -1.974 172.629 174.600 0.004 0.000 1.134 7 S CA -0.752 57.433 58.200 -0.025 0.000 0.897 7 S CB 3.613 66.858 63.200 0.075 0.000 1.094 7 S HN 0.065 8.389 8.310 0.023 0.000 0.473 8 E N 1.682 121.876 120.200 -0.011 0.000 2.232 8 E HA 0.684 nan 4.350 nan 0.000 0.265 8 E C -1.496 175.115 176.600 0.019 0.000 1.001 8 E CA -1.549 54.859 56.400 0.013 0.000 0.870 8 E CB 1.910 31.608 29.700 -0.004 0.000 1.175 8 E HN 0.103 8.446 8.360 -0.028 0.000 0.407 9 S N -0.310 115.427 115.700 0.063 0.000 2.651 9 S HA 0.475 nan 4.470 nan 0.000 0.279 9 S C -2.460 172.199 174.600 0.099 0.000 1.148 9 S CA -1.455 56.813 58.200 0.112 0.000 0.837 9 S CB 3.162 66.505 63.200 0.239 0.000 1.138 9 S HN 0.526 8.780 8.310 0.082 0.105 0.478 10 V N -5.044 114.916 119.914 0.076 0.000 3.141 10 V HA 0.930 nan 4.120 nan 0.000 0.312 10 V C -1.918 174.250 176.094 0.123 0.000 1.157 10 V CA -3.642 58.684 62.300 0.044 0.000 1.041 10 V CB 3.615 35.292 31.823 -0.244 0.000 1.071 10 V HN 0.294 8.545 8.190 0.101 0.000 0.441 11 S N -0.448 115.362 115.700 0.183 0.000 2.669 11 S HA 0.382 nan 4.470 nan 0.000 0.270 11 S C 0.319 174.977 174.600 0.097 0.000 1.225 11 S CA -1.317 57.016 58.200 0.220 0.000 0.991 11 S CB 1.853 65.188 63.200 0.225 0.000 0.987 11 S HN 0.061 8.498 8.310 0.212 0.000 0.552 12 E N -0.411 119.817 120.200 0.046 0.000 2.481 12 E HA -0.446 nan 4.350 nan 0.000 0.263 12 E C 0.864 177.537 176.600 0.121 0.000 0.992 12 E CA 0.803 57.223 56.400 0.033 0.000 0.938 12 E CB -0.498 29.252 29.700 0.082 0.000 0.933 12 E HN -0.217 8.245 8.360 0.170 0.000 0.453 13 G N 3.878 112.771 108.800 0.155 0.000 2.205 13 G HA2 -0.485 nan 3.960 nan 0.000 0.261 13 G HA3 -0.485 nan 3.960 nan 0.000 0.261 13 G C -0.265 174.796 174.900 0.268 0.000 0.980 13 G CA 0.356 45.631 45.100 0.291 0.000 0.632 13 G HN 0.332 8.693 8.290 0.118 0.000 0.533 14 H N 4.419 123.557 119.070 0.114 0.000 2.848 14 H HA 0.169 nan 4.556 nan 0.000 0.341 14 H C -1.126 174.207 175.328 0.008 0.000 1.060 14 H CA -0.823 55.276 56.048 0.086 0.000 1.444 14 H CB 1.174 30.979 29.762 0.073 0.000 1.446 14 H HN -0.453 7.809 8.280 0.274 0.182 0.583 15 P HA -0.224 nan 4.420 nan 0.000 0.216 15 P C 0.966 178.223 177.300 -0.073 0.000 1.150 15 P CA 2.793 65.750 63.100 -0.239 0.000 0.837 15 P CB 0.186 31.687 31.700 -0.331 0.000 0.786 16 D N -2.154 118.320 120.400 0.124 0.000 2.117 16 D HA -0.266 nan 4.640 nan 0.000 0.197 16 D C 2.151 178.485 176.300 0.056 0.000 0.987 16 D CA 3.605 57.658 54.000 0.088 0.000 0.829 16 D CB -0.758 40.111 40.800 0.116 0.000 0.961 16 D HN 0.317 8.795 8.370 0.179 0.000 0.460 17 K N -0.525 119.946 120.400 0.118 0.000 2.296 17 K HA -0.078 nan 4.320 nan 0.000 0.200 17 K C 2.279 178.889 176.600 0.018 0.000 1.048 17 K CA 1.694 57.999 56.287 0.031 0.000 0.966 17 K CB -0.247 32.254 32.500 0.003 0.000 0.754 17 K HN -0.295 8.100 8.250 0.280 0.023 0.466 18 I N 0.076 120.658 120.570 0.020 0.000 2.179 18 I HA -0.549 nan 4.170 nan 0.000 0.242 18 I C 1.206 177.320 176.117 -0.005 0.000 1.088 18 I CA 4.189 65.491 61.300 0.003 0.000 1.357 18 I CB -0.414 37.550 38.000 -0.059 0.000 1.051 18 I HN -0.561 7.539 8.210 0.032 0.129 0.409 19 A N -0.700 122.103 122.820 -0.028 0.000 1.940 19 A HA -0.450 nan 4.320 nan 0.000 0.219 19 A C 1.793 179.381 177.584 0.007 0.000 1.176 19 A CA 3.559 55.586 52.037 -0.016 0.000 0.631 19 A CB -1.132 17.843 19.000 -0.042 0.000 0.814 19 A HN -0.297 7.826 8.150 -0.044 0.000 0.446 20 D N -1.299 119.105 120.400 0.007 0.000 2.087 20 D HA -0.367 nan 4.640 nan 0.000 0.192 20 D C 2.591 178.911 176.300 0.035 0.000 0.993 20 D CA 3.742 57.756 54.000 0.023 0.000 0.828 20 D CB -0.449 40.364 40.800 0.022 0.000 0.968 20 D HN -0.388 7.912 8.370 -0.000 0.070 0.448 21 Q N -0.346 119.469 119.800 0.025 0.000 2.077 21 Q HA -0.372 nan 4.340 nan 0.000 0.206 21 Q C 2.908 178.939 176.000 0.052 0.000 0.989 21 Q CA 3.084 58.908 55.803 0.036 0.000 0.853 21 Q CB 0.084 28.839 28.738 0.028 0.000 0.907 21 Q HN -0.267 8.010 8.270 0.012 0.000 0.418 22 I N -0.369 120.231 120.570 0.049 0.000 2.163 22 I HA -0.600 nan 4.170 nan 0.000 0.243 22 I C 1.861 178.010 176.117 0.054 0.000 1.085 22 I CA 3.958 65.292 61.300 0.057 0.000 1.347 22 I CB -0.363 37.671 38.000 0.056 0.000 1.044 22 I HN 0.316 8.550 8.210 0.041 0.000 0.408 23 S N 0.527 116.254 115.700 0.045 0.000 2.351 23 S HA -0.398 nan 4.470 nan 0.000 0.220 23 S C 2.064 176.692 174.600 0.047 0.000 1.035 23 S CA 4.360 62.583 58.200 0.039 0.000 1.031 23 S CB -0.521 62.697 63.200 0.029 0.000 0.928 23 S HN -0.248 8.086 8.310 0.040 0.000 0.433 24 D N 1.067 121.506 120.400 0.064 0.000 2.263 24 D HA -0.181 nan 4.640 nan 0.000 0.208 24 D C 1.965 178.329 176.300 0.105 0.000 0.971 24 D CA 2.969 57.026 54.000 0.095 0.000 0.867 24 D CB -0.395 40.487 40.800 0.136 0.000 0.929 24 D HN -0.007 8.401 8.370 0.064 0.000 0.492 25 A N 0.049 122.920 122.820 0.086 0.000 1.929 25 A HA -0.155 nan 4.320 nan 0.000 0.216 25 A C 2.264 179.894 177.584 0.078 0.000 1.176 25 A CA 3.237 55.326 52.037 0.085 0.000 0.628 25 A CB -0.505 18.541 19.000 0.076 0.000 0.816 25 A HN 0.107 8.185 8.150 0.075 0.117 0.444 26 V N 0.517 120.469 119.914 0.065 0.000 2.343 26 V HA -0.377 nan 4.120 nan 0.000 0.247 26 V C 1.642 177.766 176.094 0.050 0.000 1.051 26 V CA 4.166 66.498 62.300 0.053 0.000 1.036 26 V CB -0.978 30.869 31.823 0.041 0.000 0.654 26 V HN -0.134 8.093 8.190 0.062 0.000 0.451 27 L N -0.245 121.009 121.223 0.052 0.000 1.989 27 L HA -0.463 nan 4.340 nan 0.000 0.211 27 L C 1.358 178.286 176.870 0.096 0.000 1.071 27 L CA 3.610 58.480 54.840 0.050 0.000 0.749 27 L CB -0.747 41.334 42.059 0.036 0.000 0.890 27 L HN -0.074 8.120 8.230 0.053 0.068 0.431 28 D N -1.179 119.303 120.400 0.137 0.000 2.104 28 D HA -0.404 nan 4.640 nan 0.000 0.194 28 D C 2.349 178.712 176.300 0.105 0.000 0.994 28 D CA 3.633 57.723 54.000 0.150 0.000 0.830 28 D CB -0.665 40.222 40.800 0.146 0.000 0.959 28 D HN 0.192 8.647 8.370 0.141 0.000 0.452 29 A N -0.637 122.234 122.820 0.085 0.000 1.908 29 A HA -0.267 nan 4.320 nan 0.000 0.218 29 A C 2.427 180.047 177.584 0.060 0.000 1.181 29 A CA 3.041 55.121 52.037 0.071 0.000 0.627 29 A CB -0.557 18.483 19.000 0.067 0.000 0.818 29 A HN -0.259 7.942 8.150 0.085 0.000 0.445 30 I N -1.380 119.218 120.570 0.047 0.000 2.163 30 I HA -0.484 nan 4.170 nan 0.000 0.240 30 I C 1.866 178.002 176.117 0.032 0.000 1.081 30 I CA 3.921 65.235 61.300 0.023 0.000 1.353 30 I CB 0.079 38.079 38.000 -0.001 0.000 1.054 30 I HN -0.295 7.945 8.210 0.049 0.000 0.407 31 L N -0.644 120.610 121.223 0.051 0.000 2.127 31 L HA -0.417 nan 4.340 nan 0.000 0.211 31 L C 1.862 178.769 176.870 0.063 0.000 1.089 31 L CA 3.049 57.926 54.840 0.061 0.000 0.757 31 L CB -0.406 41.720 42.059 0.112 0.000 0.899 31 L HN -0.146 8.121 8.230 0.062 0.000 0.434 32 E N -1.461 118.782 120.200 0.072 0.000 2.110 32 E HA -0.306 nan 4.350 nan 0.000 0.193 32 E C 1.483 178.118 176.600 0.059 0.000 0.988 32 E CA 2.339 58.782 56.400 0.072 0.000 0.804 32 E CB 0.161 29.904 29.700 0.072 0.000 0.745 32 E HN -0.009 8.378 8.360 0.077 0.019 0.458 33 Q N -3.125 116.706 119.800 0.051 0.000 2.250 33 Q HA -0.077 nan 4.340 nan 0.000 0.200 33 Q C -0.029 175.989 176.000 0.030 0.000 0.941 33 Q CA 1.053 56.884 55.803 0.046 0.000 0.872 33 Q CB 1.733 30.501 28.738 0.051 0.000 0.965 33 Q HN -0.644 7.567 8.270 0.050 0.089 0.480 34 D N -2.673 117.738 120.400 0.019 0.000 2.381 34 D HA 0.392 nan 4.640 nan 0.000 0.245 34 D C -1.540 174.761 176.300 0.002 0.000 1.297 34 D CA -2.657 51.345 54.000 0.004 0.000 0.931 34 D CB 1.061 41.852 40.800 -0.015 0.000 1.334 34 D HN -0.183 8.119 8.370 0.023 0.081 0.535 35 P HA -0.129 nan 4.420 nan 0.000 0.230 35 P C 0.278 177.569 177.300 -0.014 0.000 1.158 35 P CA 1.132 64.223 63.100 -0.015 0.000 0.769 35 P CB 0.387 32.055 31.700 -0.053 0.000 0.807 36 K N -1.842 118.554 120.400 -0.007 0.000 2.404 36 K HA -0.012 nan 4.320 nan 0.000 0.194 36 K C -0.416 176.180 176.600 -0.007 0.000 1.023 36 K CA -1.818 54.470 56.287 0.002 0.000 1.094 36 K CB -0.012 32.493 32.500 0.008 0.000 0.841 36 K HN -0.657 7.730 8.250 -0.007 -0.141 0.523 37 A N 0.199 123.008 122.820 -0.019 0.000 2.561 37 A HA -0.109 nan 4.320 nan 0.000 0.234 37 A C -0.485 177.076 177.584 -0.037 0.000 1.055 37 A CA 1.088 53.106 52.037 -0.033 0.000 0.756 37 A CB 0.612 19.590 19.000 -0.037 0.000 0.986 37 A HN -0.607 7.493 8.150 -0.016 0.040 0.505 38 R N 1.612 122.086 120.500 -0.043 0.000 2.255 38 R HA 0.301 nan 4.340 nan 0.000 0.326 38 R C -1.557 174.708 176.300 -0.058 0.000 0.986 38 R CA -2.006 54.064 56.100 -0.050 0.000 0.847 38 R CB 0.884 31.160 30.300 -0.039 0.000 1.111 38 R HN -0.019 8.223 8.270 -0.045 0.000 0.452 39 V N 0.350 120.223 119.914 -0.069 0.000 2.823 39 V HA 0.956 nan 4.120 nan 0.000 0.312 39 V C -2.412 173.641 176.094 -0.069 0.000 1.072 39 V CA -2.850 59.412 62.300 -0.063 0.000 0.937 39 V CB 4.374 36.165 31.823 -0.053 0.000 1.013 39 V HN -0.253 8.093 8.190 -0.083 -0.206 0.430 40 A N 5.292 128.079 122.820 -0.054 0.000 2.605 40 A HA 0.540 nan 4.320 nan 0.000 0.293 40 A C -3.039 174.525 177.584 -0.033 0.000 1.216 40 A CA -1.184 50.824 52.037 -0.050 0.000 0.742 40 A CB 1.680 20.652 19.000 -0.046 0.000 1.170 40 A HN 0.788 8.909 8.150 -0.047 0.000 0.443 41 C N 5.021 124.306 119.300 -0.026 0.000 2.225 41 C HA 0.576 nan 4.460 nan 0.000 0.323 41 C C -0.924 174.067 174.990 0.002 0.000 1.164 41 C CA -2.189 56.824 59.018 -0.009 0.000 1.565 41 C CB 0.097 27.835 27.740 -0.004 0.000 2.124 41 C HN 0.457 8.557 8.230 -0.033 0.109 0.461 42 E N 9.046 129.251 120.200 0.008 0.000 2.216 42 E HA 0.264 nan 4.350 nan 0.000 0.279 42 E C -1.306 175.321 176.600 0.046 0.000 0.997 42 E CA -0.872 55.541 56.400 0.021 0.000 0.817 42 E CB 2.626 32.338 29.700 0.020 0.000 1.096 42 E HN 0.590 8.953 8.360 0.005 0.000 0.393 43 T N 4.077 118.666 114.554 0.059 0.000 2.893 43 T HA 0.685 nan 4.350 nan 0.000 0.291 43 T C -2.288 172.490 174.700 0.129 0.000 1.028 43 T CA -0.767 61.384 62.100 0.084 0.000 0.995 43 T CB 2.585 71.485 68.868 0.053 0.000 1.051 43 T HN 0.337 8.605 8.240 0.047 0.000 0.470 44 Y N 4.300 124.592 120.300 -0.013 0.000 2.442 44 Y HA 0.714 nan 4.550 nan 0.000 0.344 44 Y C -2.728 173.154 175.900 -0.030 0.000 0.976 44 Y CA -1.341 56.746 58.100 -0.023 0.000 1.040 44 Y CB 3.848 42.300 38.460 -0.015 0.000 1.228 44 Y HN 0.553 8.965 8.280 0.219 0.000 0.451 45 V N 1.206 121.052 119.914 -0.112 0.000 2.841 45 V HA 0.840 nan 4.120 nan 0.000 0.310 45 V C -2.541 173.462 176.094 -0.152 0.000 1.090 45 V CA -2.688 59.562 62.300 -0.083 0.000 0.930 45 V CB 2.690 34.366 31.823 -0.244 0.000 1.014 45 V HN 0.943 8.873 8.190 -0.433 0.000 0.425 46 K N 4.093 124.478 120.400 -0.024 0.000 2.571 46 K HA 0.557 nan 4.320 nan 0.000 0.289 46 K C -0.261 176.382 176.600 0.072 0.000 1.028 46 K CA -0.745 55.546 56.287 0.007 0.000 0.895 46 K CB 3.450 36.044 32.500 0.157 0.000 1.534 46 K HN 0.253 8.525 8.250 0.037 0.000 0.421 47 T N -0.796 113.806 114.554 0.080 0.000 2.737 47 T HA -0.173 nan 4.350 nan 0.000 0.269 47 T C 0.207 175.058 174.700 0.251 0.000 1.040 47 T CA 3.167 65.351 62.100 0.140 0.000 1.142 47 T CB -0.356 68.558 68.868 0.076 0.000 0.861 47 T HN 0.648 8.920 8.240 0.053 0.000 0.456 48 G N -1.785 107.122 108.800 0.178 0.000 2.986 48 G HA2 0.247 nan 3.960 nan 0.000 0.213 48 G HA3 0.247 nan 3.960 nan 0.000 0.213 48 G C -1.811 173.190 174.900 0.168 0.000 1.156 48 G CA -0.806 44.367 45.100 0.121 0.000 0.763 48 G HN -0.193 8.161 8.290 0.147 0.024 0.547 49 M N -4.075 115.706 119.600 0.302 0.000 2.520 49 M HA 0.820 nan 4.480 nan 0.000 0.280 49 M C -2.478 173.973 176.300 0.252 0.000 1.232 49 M CA -0.361 55.070 55.300 0.218 0.000 0.892 49 M CB 4.025 36.705 32.600 0.133 0.000 1.728 49 M HN -0.241 8.297 8.290 0.413 0.000 0.475 50 V N 0.097 120.134 119.914 0.204 0.000 2.444 50 V HA 0.750 nan 4.120 nan 0.000 0.294 50 V C -2.019 174.152 176.094 0.128 0.000 1.022 50 V CA -0.827 61.575 62.300 0.170 0.000 0.850 50 V CB 1.421 33.349 31.823 0.176 0.000 0.992 50 V HN 0.688 8.978 8.190 0.168 0.000 0.426 51 L N 8.112 129.415 121.223 0.133 0.000 2.287 51 L HA 0.777 nan 4.340 nan 0.000 0.287 51 L C -1.901 175.017 176.870 0.079 0.000 1.022 51 L CA -1.080 53.805 54.840 0.076 0.000 0.814 51 L CB 2.465 44.531 42.059 0.013 0.000 1.217 51 L HN 0.783 9.021 8.230 0.191 0.107 0.420 52 V N 5.846 125.794 119.914 0.056 0.000 2.384 52 V HA 0.718 nan 4.120 nan 0.000 0.287 52 V C -1.495 174.617 176.094 0.030 0.000 1.020 52 V CA -1.840 60.489 62.300 0.050 0.000 0.850 52 V CB 1.303 33.156 31.823 0.050 0.000 0.987 52 V HN 1.007 9.224 8.190 0.046 0.000 0.436 53 G N 5.781 114.596 108.800 0.024 0.000 2.701 53 G HA2 0.790 nan 3.960 nan 0.000 0.300 53 G HA3 0.790 nan 3.960 nan 0.000 0.300 53 G C -2.838 172.064 174.900 0.003 0.000 1.410 53 G CA -0.972 44.133 45.100 0.009 0.000 1.014 53 G HN 0.663 8.971 8.290 0.031 0.000 0.509 54 G N 0.185 108.981 108.800 -0.006 0.000 2.646 54 G HA2 0.619 nan 3.960 nan 0.000 0.291 54 G HA3 0.619 nan 3.960 nan 0.000 0.291 54 G C -2.677 172.211 174.900 -0.020 0.000 1.445 54 G CA 0.274 45.367 45.100 -0.012 0.000 0.814 54 G HN 0.042 8.327 8.290 -0.007 0.000 0.495 55 E N 0.178 120.363 120.200 -0.026 0.000 2.199 55 E HA 0.846 nan 4.350 nan 0.000 0.265 55 E C -1.971 174.604 176.600 -0.041 0.000 0.882 55 E CA -1.818 54.563 56.400 -0.032 0.000 0.759 55 E CB 3.982 33.663 29.700 -0.031 0.000 1.148 55 E HN 0.290 8.634 8.360 -0.027 0.000 0.412 56 I N 4.846 125.386 120.570 -0.050 0.000 2.468 56 I HA 0.372 nan 4.170 nan 0.000 0.285 56 I C -2.443 173.630 176.117 -0.074 0.000 1.039 56 I CA -0.920 60.343 61.300 -0.062 0.000 1.074 56 I CB 3.608 41.567 38.000 -0.068 0.000 1.228 56 I HN 0.778 8.958 8.210 -0.050 0.000 0.436 57 T N 10.832 125.344 114.554 -0.069 0.000 2.821 57 T HA 0.674 nan 4.350 nan 0.000 0.307 57 T C -2.170 172.482 174.700 -0.081 0.000 1.034 57 T CA -1.749 60.307 62.100 -0.073 0.000 0.953 57 T CB 0.825 69.661 68.868 -0.053 0.000 0.968 57 T HN 0.737 8.941 8.240 -0.061 0.000 0.462 58 T N 8.993 123.479 114.554 -0.113 0.000 2.830 58 T HA 0.528 nan 4.350 nan 0.000 0.322 58 T C -0.259 174.336 174.700 -0.175 0.000 1.501 58 T CA -1.283 60.742 62.100 -0.124 0.000 1.036 58 T CB 2.310 71.101 68.868 -0.129 0.000 1.379 58 T HN 0.696 8.858 8.240 -0.131 0.000 0.493 59 S N 4.718 120.334 115.700 -0.139 0.000 2.395 59 S HA -0.015 nan 4.470 nan 0.000 0.225 59 S C 1.144 175.585 174.600 -0.264 0.000 1.027 59 S CA 2.493 60.603 58.200 -0.151 0.000 0.965 59 S CB 0.109 63.278 63.200 -0.052 0.000 0.812 59 S HN 0.305 8.862 8.310 -0.096 -0.305 0.482 60 A N 2.357 125.056 122.820 -0.201 0.000 2.577 60 A HA -0.188 nan 4.320 nan 0.000 0.233 60 A C -2.106 175.243 177.584 -0.392 0.000 1.076 60 A CA 1.162 53.099 52.037 -0.166 0.000 0.767 60 A CB 0.341 19.296 19.000 -0.074 0.000 1.017 60 A HN -0.510 7.556 8.150 -0.141 0.000 0.511 61 W N 0.074 121.385 121.300 0.018 0.000 2.785 61 W HA 0.211 nan 4.660 nan 0.000 0.333 61 W C -1.177 175.355 176.519 0.021 0.000 1.062 61 W CA -0.393 56.963 57.345 0.018 0.000 1.233 61 W CB 2.653 32.122 29.460 0.016 0.000 1.413 61 W HN -0.543 7.986 8.180 0.162 -0.251 0.489 62 V N 4.132 124.187 119.914 0.235 0.000 3.048 62 V HA 0.055 nan 4.120 nan 0.000 0.303 62 V C -1.904 174.276 176.094 0.142 0.000 1.214 62 V CA -0.666 61.719 62.300 0.143 0.000 0.984 62 V CB 3.669 35.539 31.823 0.078 0.000 1.054 62 V HN -0.147 8.214 8.190 0.285 0.000 0.430 63 D N 4.720 125.186 120.400 0.110 0.000 2.443 63 D HA 0.241 nan 4.640 nan 0.000 0.221 63 D C 0.766 177.113 176.300 0.078 0.000 1.097 63 D CA -1.628 52.429 54.000 0.096 0.000 0.865 63 D CB -0.059 40.789 40.800 0.079 0.000 1.034 63 D HN 0.190 8.618 8.370 0.098 0.000 0.511 64 I N 6.330 126.946 120.570 0.075 0.000 2.163 64 I HA -0.451 nan 4.170 nan 0.000 0.243 64 I C 1.664 177.819 176.117 0.064 0.000 1.085 64 I CA 2.416 63.754 61.300 0.065 0.000 1.347 64 I CB -0.445 37.590 38.000 0.058 0.000 1.044 64 I HN 0.422 8.682 8.210 0.084 0.000 0.408 65 E N 0.001 120.237 120.200 0.061 0.000 2.077 65 E HA -0.368 nan 4.350 nan 0.000 0.193 65 E C 1.822 178.457 176.600 0.058 0.000 0.989 65 E CA 3.316 59.749 56.400 0.057 0.000 0.800 65 E CB -0.516 29.213 29.700 0.048 0.000 0.746 65 E HN -0.251 8.262 8.360 0.062 -0.115 0.452 66 E N -0.220 120.014 120.200 0.057 0.000 2.028 66 E HA -0.276 nan 4.350 nan 0.000 0.191 66 E C 2.333 178.970 176.600 0.061 0.000 0.988 66 E CA 2.716 59.149 56.400 0.055 0.000 0.799 66 E CB 0.033 29.764 29.700 0.052 0.000 0.755 66 E HN -0.538 8.199 8.360 0.058 -0.342 0.447 67 I N -0.833 119.775 120.570 0.064 0.000 2.145 67 I HA -0.623 nan 4.170 nan 0.000 0.244 67 I C 2.274 178.435 176.117 0.073 0.000 1.075 67 I CA 4.284 65.624 61.300 0.067 0.000 1.332 67 I CB -0.214 37.826 38.000 0.067 0.000 1.033 67 I HN 0.291 8.539 8.210 0.064 0.000 0.410 68 T N 1.920 116.519 114.554 0.076 0.000 2.635 68 T HA -0.387 nan 4.350 nan 0.000 0.267 68 T C 2.038 176.799 174.700 0.101 0.000 1.040 68 T CA 4.864 67.018 62.100 0.089 0.000 1.156 68 T CB -0.721 68.201 68.868 0.090 0.000 0.863 68 T HN 0.157 8.440 8.240 0.072 0.000 0.430 69 R N 0.395 120.948 120.500 0.089 0.000 2.115 69 R HA -0.359 nan 4.340 nan 0.000 0.230 69 R C 2.427 178.781 176.300 0.091 0.000 1.111 69 R CA 3.683 59.837 56.100 0.090 0.000 0.976 69 R CB -0.270 30.069 30.300 0.064 0.000 0.870 69 R HN -0.221 8.095 8.270 0.077 0.000 0.445 70 N N -0.338 118.409 118.700 0.078 0.000 2.142 70 N HA -0.159 nan 4.740 nan 0.000 0.186 70 N C 2.154 177.714 175.510 0.083 0.000 1.023 70 N CA 3.423 56.516 53.050 0.072 0.000 0.852 70 N CB -0.284 38.240 38.487 0.061 0.000 0.998 70 N HN 0.037 8.445 8.380 0.074 0.017 0.424 71 T N 4.329 118.937 114.554 0.090 0.000 2.746 71 T HA -0.223 nan 4.350 nan 0.000 0.267 71 T C 2.110 176.883 174.700 0.122 0.000 1.039 71 T CA 4.770 66.927 62.100 0.095 0.000 1.142 71 T CB -0.299 68.623 68.868 0.089 0.000 0.866 71 T HN -0.128 8.165 8.240 0.087 0.000 0.444 72 V N 2.189 122.197 119.914 0.156 0.000 2.515 72 V HA -0.373 nan 4.120 nan 0.000 0.250 72 V C 1.559 177.782 176.094 0.215 0.000 1.058 72 V CA 4.141 66.580 62.300 0.232 0.000 1.064 72 V CB -1.152 30.863 31.823 0.321 0.000 0.675 72 V HN 0.066 8.343 8.190 0.145 0.000 0.461 73 R N -0.562 120.027 120.500 0.148 0.000 2.075 73 R HA -0.351 nan 4.340 nan 0.000 0.232 73 R C 1.849 178.195 176.300 0.077 0.000 1.126 73 R CA 3.468 59.633 56.100 0.108 0.000 0.963 73 R CB 0.010 30.357 30.300 0.079 0.000 0.858 73 R HN 0.085 8.435 8.270 0.132 0.000 0.435 74 E N -2.859 117.384 120.200 0.071 0.000 2.150 74 E HA -0.209 nan 4.350 nan 0.000 0.193 74 E C 2.094 178.719 176.600 0.042 0.000 0.985 74 E CA 2.456 58.886 56.400 0.050 0.000 0.814 74 E CB 0.065 29.798 29.700 0.054 0.000 0.752 74 E HN -0.458 7.950 8.360 0.080 0.000 0.466 75 I N -3.123 117.486 120.570 0.064 0.000 2.226 75 I HA -0.509 nan 4.170 nan 0.000 0.245 75 I C 1.013 177.091 176.117 -0.065 0.000 1.100 75 I CA 2.943 64.267 61.300 0.040 0.000 1.374 75 I CB 0.559 38.635 38.000 0.126 0.000 1.057 75 I HN -0.613 7.653 8.210 0.093 0.000 0.413 76 G N -5.217 103.559 108.800 -0.040 0.000 2.234 76 G HA2 -0.269 nan 3.960 nan 0.000 0.153 76 G HA3 -0.269 nan 3.960 nan 0.000 0.153 76 G C -0.666 174.179 174.900 -0.092 0.000 1.013 76 G CA -0.490 44.548 45.100 -0.105 0.000 0.712 76 G HN -0.494 7.757 8.290 0.060 0.075 0.491 77 Y N 1.229 121.604 120.300 0.124 0.000 2.600 77 Y HA 0.005 nan 4.550 nan 0.000 0.351 77 Y C -1.679 174.304 175.900 0.139 0.000 1.042 77 Y CA 0.437 58.641 58.100 0.172 0.000 1.333 77 Y CB -0.926 37.721 38.460 0.312 0.000 1.172 77 Y HN -0.418 8.018 8.280 0.260 0.000 0.517 78 V N 5.823 125.873 119.914 0.227 0.000 3.111 78 V HA 0.226 nan 4.120 nan 0.000 0.343 78 V C -1.831 174.382 176.094 0.199 0.000 1.417 78 V CA -0.758 61.635 62.300 0.154 0.000 1.142 78 V CB 0.325 32.202 31.823 0.090 0.000 1.114 78 V HN 0.162 8.472 8.190 0.200 0.000 0.520 79 H N -0.382 118.734 119.070 0.076 0.000 3.121 79 H HA 0.256 nan 4.556 nan 0.000 0.337 79 H C -0.266 175.098 175.328 0.060 0.000 1.198 79 H CA -0.680 55.398 56.048 0.049 0.000 1.274 79 H CB 3.337 33.129 29.762 0.050 0.000 1.954 79 H HN -0.762 7.667 8.280 0.248 0.000 0.531 80 S N 5.467 120.993 115.700 -0.290 0.000 2.400 80 S HA -0.329 nan 4.470 nan 0.000 0.232 80 S C 1.500 176.047 174.600 -0.087 0.000 1.025 80 S CA 3.018 61.107 58.200 -0.185 0.000 0.993 80 S CB -0.111 62.947 63.200 -0.236 0.000 0.808 80 S HN 0.692 8.671 8.310 -0.553 0.000 0.478 81 D N 2.660 122.990 120.400 -0.117 0.000 2.218 81 D HA -0.237 nan 4.640 nan 0.000 0.204 81 D C 1.580 177.938 176.300 0.097 0.000 0.976 81 D CA 2.485 56.496 54.000 0.017 0.000 0.853 81 D CB -0.754 40.100 40.800 0.091 0.000 0.939 81 D HN -0.275 7.871 8.370 -0.340 0.020 0.481 82 M N -3.179 116.516 119.600 0.159 0.000 2.229 82 M HA -0.360 nan 4.480 nan 0.000 0.264 82 M C 1.123 177.568 176.300 0.242 0.000 1.063 82 M CA 3.189 58.624 55.300 0.224 0.000 1.114 82 M CB 0.860 33.656 32.600 0.327 0.000 1.387 82 M HN -0.389 7.968 8.290 0.166 0.033 0.420 83 G N -5.204 103.710 108.800 0.190 0.000 2.624 83 G HA2 -0.250 nan 3.960 nan 0.000 0.190 83 G HA3 -0.250 nan 3.960 nan 0.000 0.190 83 G C -1.413 173.604 174.900 0.196 0.000 1.008 83 G CA -0.382 44.811 45.100 0.155 0.000 0.731 83 G HN -0.140 8.076 8.290 0.149 0.163 0.478 84 F N 0.062 120.016 119.950 0.007 0.000 2.652 84 F HA 0.078 nan 4.527 nan 0.000 0.320 84 F C -2.920 172.925 175.800 0.075 0.000 1.115 84 F CA 0.080 58.051 58.000 -0.048 0.000 1.053 84 F CB 2.541 41.365 39.000 -0.293 0.000 1.297 84 F HN -0.996 7.469 8.300 0.275 0.000 0.471 85 D N 5.448 125.607 120.400 -0.402 0.000 2.391 85 D HA 0.435 nan 4.640 nan 0.000 0.245 85 D C -0.613 175.532 176.300 -0.257 0.000 1.069 85 D CA -2.164 51.737 54.000 -0.166 0.000 0.831 85 D CB 2.197 42.940 40.800 -0.094 0.000 1.204 85 D HN 0.115 8.061 8.370 -0.706 0.000 0.503 86 A N 6.370 129.180 122.820 -0.016 0.000 1.972 86 A HA -0.258 nan 4.320 nan 0.000 0.219 86 A C 1.383 178.961 177.584 -0.010 0.000 1.169 86 A CA 3.146 55.204 52.037 0.035 0.000 0.635 86 A CB 0.092 19.162 19.000 0.117 0.000 0.810 86 A HN 0.758 8.867 8.150 0.090 0.095 0.446 87 N N -1.934 116.757 118.700 -0.014 0.000 2.415 87 N HA 0.039 nan 4.740 nan 0.000 0.176 87 N C 0.284 175.773 175.510 -0.035 0.000 1.042 87 N CA 2.024 55.070 53.050 -0.007 0.000 0.902 87 N CB 0.434 38.928 38.487 0.012 0.000 0.986 87 N HN 0.142 8.850 8.380 -0.008 -0.333 0.447 88 S N -1.928 113.724 115.700 -0.080 0.000 2.578 88 S HA 0.117 nan 4.470 nan 0.000 0.228 88 S C 0.622 175.139 174.600 -0.137 0.000 1.022 88 S CA -0.029 58.117 58.200 -0.089 0.000 0.967 88 S CB 0.794 63.948 63.200 -0.076 0.000 0.914 88 S HN -0.428 7.939 8.310 -0.102 -0.118 0.515 89 C N 1.956 121.116 119.300 -0.233 0.000 2.745 89 C HA 0.219 nan 4.460 nan 0.000 0.387 89 C C -0.569 174.368 174.990 -0.088 0.000 1.312 89 C CA -2.084 56.778 59.018 -0.260 0.000 2.204 89 C CB 0.638 28.067 27.740 -0.518 0.000 2.686 89 C HN -0.182 7.881 8.230 -0.278 0.000 0.705 90 A N -0.056 122.745 122.820 -0.030 0.000 2.328 90 A HA 0.378 nan 4.320 nan 0.000 0.284 90 A C -1.857 175.757 177.584 0.051 0.000 1.160 90 A CA -0.380 51.665 52.037 0.013 0.000 0.818 90 A CB 0.987 20.001 19.000 0.023 0.000 1.087 90 A HN 0.469 8.601 8.150 -0.029 0.000 0.504 91 V N 2.397 122.339 119.914 0.046 0.000 2.495 91 V HA 0.634 nan 4.120 nan 0.000 0.298 91 V C -0.884 175.238 176.094 0.048 0.000 1.031 91 V CA -0.748 61.590 62.300 0.063 0.000 0.871 91 V CB 1.259 33.119 31.823 0.063 0.000 0.988 91 V HN 0.221 8.430 8.190 0.032 0.000 0.432 92 L N 8.710 129.962 121.223 0.048 0.000 2.385 92 L HA 0.480 nan 4.340 nan 0.000 0.273 92 L C -1.782 175.107 176.870 0.032 0.000 0.990 92 L CA -0.440 54.419 54.840 0.032 0.000 0.821 92 L CB 4.594 46.666 42.059 0.022 0.000 1.279 92 L HN 0.719 8.985 8.230 0.060 0.000 0.412 93 S N 4.618 120.335 115.700 0.028 0.000 2.532 93 S HA 0.725 nan 4.470 nan 0.000 0.301 93 S C -1.417 173.192 174.600 0.016 0.000 1.083 93 S CA -0.891 57.325 58.200 0.026 0.000 1.025 93 S CB 1.339 64.559 63.200 0.035 0.000 1.056 93 S HN 0.290 8.615 8.310 0.026 0.000 0.494 94 A N 4.620 127.446 122.820 0.010 0.000 3.409 94 A HA 0.312 nan 4.320 nan 0.000 0.282 94 A C -2.126 175.457 177.584 -0.001 0.000 1.064 94 A CA 0.283 52.320 52.037 0.001 0.000 0.889 94 A CB 0.718 19.712 19.000 -0.010 0.000 1.251 94 A HN 0.775 8.932 8.150 0.012 0.000 0.538 95 I N 1.316 121.887 120.570 0.002 0.000 2.377 95 I HA 0.347 nan 4.170 nan 0.000 0.293 95 I C -0.432 175.678 176.117 -0.012 0.000 0.987 95 I CA -1.155 60.141 61.300 -0.006 0.000 1.185 95 I CB 2.115 40.111 38.000 -0.006 0.000 1.341 95 I HN -0.009 8.206 8.210 0.008 0.000 0.455 96 G N 5.987 114.776 108.800 -0.019 0.000 2.339 96 G HA2 0.201 nan 3.960 nan 0.000 0.287 96 G HA3 0.201 nan 3.960 nan 0.000 0.287 96 G C -2.445 172.431 174.900 -0.039 0.000 1.163 96 G CA -0.812 44.275 45.100 -0.023 0.000 0.872 96 G HN 0.261 8.538 8.290 -0.021 0.000 0.464 97 K N 3.171 123.542 120.400 -0.049 0.000 2.130 97 K HA 0.508 nan 4.320 nan 0.000 0.268 97 K C -0.975 175.583 176.600 -0.070 0.000 0.983 97 K CA -0.762 55.474 56.287 -0.084 0.000 0.893 97 K CB 1.335 33.753 32.500 -0.136 0.000 1.066 97 K HN 0.204 8.433 8.250 -0.035 0.000 0.450 98 Q N 5.193 124.946 119.800 -0.077 0.000 2.356 98 Q HA 0.387 nan 4.340 nan 0.000 0.270 98 Q C -1.645 174.306 176.000 -0.082 0.000 1.058 98 Q CA -1.074 54.692 55.803 -0.062 0.000 0.802 98 Q CB 3.542 32.252 28.738 -0.045 0.000 1.303 98 Q HN 0.496 8.713 8.270 -0.088 0.000 0.444 99 S N 3.956 119.614 115.700 -0.070 0.000 2.616 99 S HA 0.437 nan 4.470 nan 0.000 0.277 99 S C -1.863 172.709 174.600 -0.046 0.000 1.234 99 S CA -1.997 56.160 58.200 -0.072 0.000 1.028 99 S CB 0.208 63.374 63.200 -0.057 0.000 0.988 99 S HN 0.134 8.413 8.310 -0.052 0.000 0.522 100 P HA 0.047 nan 4.420 nan 0.000 0.272 100 P C -1.867 175.422 177.300 -0.019 0.000 1.240 100 P CA -0.056 63.027 63.100 -0.029 0.000 0.791 100 P CB 0.464 32.148 31.700 -0.026 0.000 0.978 101 D N -0.141 120.249 120.400 -0.017 0.000 2.277 101 D HA 0.421 nan 4.640 nan 0.000 0.249 101 D C 0.538 176.832 176.300 -0.011 0.000 1.134 101 D CA 0.567 54.559 54.000 -0.012 0.000 0.863 101 D CB 0.734 41.526 40.800 -0.014 0.000 1.143 101 D HN 0.213 8.572 8.370 -0.019 0.000 0.458 109 A N 1.926 124.727 122.820 -0.032 0.000 1.930 109 A HA -0.060 nan 4.320 nan 0.000 0.217 109 A C -0.218 177.348 177.584 -0.030 0.000 1.175 109 A CA 1.204 53.224 52.037 -0.028 0.000 0.627 109 A CB 0.301 19.290 19.000 -0.019 0.000 0.815 109 A HN 0.535 8.670 8.150 -0.025 0.000 0.443 110 D N -1.441 118.943 120.400 -0.027 0.000 2.313 110 D HA 0.322 nan 4.640 nan 0.000 0.239 110 D C -1.342 174.930 176.300 -0.047 0.000 1.142 110 D CA -3.061 50.924 54.000 -0.025 0.000 0.847 110 D CB 0.714 41.509 40.800 -0.009 0.000 1.082 110 D HN -0.341 8.016 8.370 -0.023 0.000 0.480 111 P HA -0.226 nan 4.420 nan 0.000 0.217 111 P C 0.880 178.121 177.300 -0.098 0.000 1.151 111 P CA 1.942 64.964 63.100 -0.129 0.000 0.849 111 P CB 0.215 31.856 31.700 -0.099 0.000 0.787 112 L N -5.723 115.500 121.223 0.000 0.000 2.191 112 L HA -0.241 nan 4.340 nan 0.000 0.212 112 L C 1.687 178.601 176.870 0.074 0.000 1.103 112 L CA 1.972 56.857 54.840 0.074 0.000 0.769 112 L CB -0.996 41.109 42.059 0.077 0.000 0.908 112 L HN -0.704 7.730 8.230 0.001 -0.203 0.438 113 E N -3.898 116.317 120.200 0.025 0.000 2.502 113 E HA -0.187 nan 4.350 nan 0.000 0.194 113 E C 0.048 176.663 176.600 0.025 0.000 1.062 113 E CA -0.370 56.049 56.400 0.032 0.000 0.867 113 E CB -0.405 29.302 29.700 0.012 0.000 0.888 113 E HN -0.553 7.669 8.360 -0.001 0.137 0.510 114 Q N 0.058 119.850 119.800 -0.014 0.000 2.286 114 Q HA -0.192 nan 4.340 nan 0.000 0.290 114 Q C 0.101 176.165 176.000 0.106 0.000 1.049 114 Q CA 0.273 56.056 55.803 -0.033 0.000 0.923 114 Q CB 0.484 29.054 28.738 -0.280 0.000 1.183 114 Q HN -0.624 7.444 8.270 -0.045 0.175 0.383 115 G N -0.158 108.687 108.800 0.074 0.000 2.667 115 G HA2 0.087 nan 3.960 nan 0.000 0.250 115 G HA3 0.087 nan 3.960 nan 0.000 0.250 115 G C -1.565 173.395 174.900 0.100 0.000 1.212 115 G CA -0.967 44.186 45.100 0.088 0.000 0.874 115 G HN 0.161 8.471 8.290 0.033 0.000 0.561 116 A N -0.383 122.475 122.820 0.063 0.000 2.440 116 A HA 0.139 nan 4.320 nan 0.000 0.251 116 A C -0.462 177.116 177.584 -0.010 0.000 1.089 116 A CA 0.197 52.221 52.037 -0.021 0.000 0.779 116 A CB 0.832 19.821 19.000 -0.017 0.000 1.022 116 A HN 0.228 8.328 8.150 0.086 0.102 0.492 117 G N 0.696 109.469 108.800 -0.045 0.000 2.356 117 G HA2 0.144 nan 3.960 nan 0.000 0.312 117 G HA3 0.144 nan 3.960 nan 0.000 0.312 117 G C -1.911 172.956 174.900 -0.055 0.000 1.096 117 G CA -0.826 44.255 45.100 -0.031 0.000 0.950 117 G HN 0.418 8.650 8.290 -0.096 0.000 0.428 118 D N 1.139 121.522 120.400 -0.028 0.000 10.770 118 D HA -0.414 nan 4.640 nan 0.000 0.340 118 D C -1.077 175.223 176.300 -0.001 0.000 3.132 118 D CA 0.653 54.642 54.000 -0.019 0.000 2.696 118 D CB 1.034 41.817 40.800 -0.029 0.000 1.209 118 D HN -0.038 8.324 8.370 -0.014 0.000 0.941 119 Q N 2.628 122.441 119.800 0.022 0.000 2.500 119 Q HA -0.025 nan 4.340 nan 0.000 0.215 119 Q C -0.362 175.678 176.000 0.066 0.000 1.062 119 Q CA 0.761 56.596 55.803 0.053 0.000 0.996 119 Q CB 1.019 29.776 28.738 0.032 0.000 1.239 119 Q HN 0.295 8.572 8.270 0.012 0.000 0.578 120 G N -0.808 108.048 108.800 0.093 0.000 2.359 120 G HA2 0.064 nan 3.960 nan 0.000 0.293 120 G HA3 0.064 nan 3.960 nan 0.000 0.293 120 G C -3.132 171.819 174.900 0.085 0.000 1.300 120 G CA -0.334 44.815 45.100 0.081 0.000 0.888 120 G HN 0.017 8.367 8.290 0.100 0.000 0.541 121 L N -4.009 117.254 121.223 0.066 0.000 2.422 121 L HA 0.997 nan 4.340 nan 0.000 0.264 121 L C -1.956 174.941 176.870 0.046 0.000 0.984 121 L CA -0.916 53.927 54.840 0.005 0.000 0.819 121 L CB 3.147 45.180 42.059 -0.043 0.000 1.330 121 L HN -0.009 8.267 8.230 0.077 0.000 0.410 122 M N -1.401 118.189 119.600 -0.017 0.000 2.518 122 M HA 0.439 nan 4.480 nan 0.000 0.300 122 M C -1.572 174.718 176.300 -0.017 0.000 1.175 122 M CA -1.055 54.284 55.300 0.065 0.000 0.890 122 M CB 4.337 36.997 32.600 0.100 0.000 1.710 122 M HN 0.471 8.692 8.290 -0.115 0.000 0.453 123 F N 0.578 120.555 119.950 0.044 0.000 2.577 123 F HA 0.822 nan 4.527 nan 0.000 0.318 123 F C -0.238 175.642 175.800 0.134 0.000 1.065 123 F CA -1.247 56.795 58.000 0.070 0.000 0.929 123 F CB 4.454 43.500 39.000 0.076 0.000 1.237 123 F HN 0.112 8.602 8.300 0.317 0.000 0.468 124 G N -0.668 108.334 108.800 0.337 0.000 2.696 124 G HA2 0.344 nan 3.960 nan 0.000 0.295 124 G HA3 0.344 nan 3.960 nan 0.000 0.295 124 G C -3.454 171.519 174.900 0.122 0.000 1.398 124 G CA -0.608 44.638 45.100 0.243 0.000 0.920 124 G HN 0.245 8.732 8.290 0.328 0.000 0.492 125 Y N 0.843 120.943 120.300 -0.334 0.000 2.588 125 Y HA 0.814 nan 4.550 nan 0.000 0.343 125 Y C -2.826 172.881 175.900 -0.321 0.000 1.065 125 Y CA -1.272 56.547 58.100 -0.469 0.000 1.038 125 Y CB 4.095 41.957 38.460 -0.996 0.000 1.297 125 Y HN -0.179 8.075 8.280 -0.043 0.000 0.467 126 A N 1.411 123.885 122.820 -0.577 0.000 2.606 126 A HA 0.704 nan 4.320 nan 0.000 0.293 126 A C -2.793 174.462 177.584 -0.550 0.000 1.082 126 A CA -0.531 51.293 52.037 -0.356 0.000 0.685 126 A CB 4.009 22.894 19.000 -0.193 0.000 1.284 126 A HN 0.611 8.176 8.150 -0.974 0.000 0.408 127 T N -3.659 110.740 114.554 -0.257 0.000 2.982 127 T HA 0.517 nan 4.350 nan 0.000 0.321 127 T C 0.180 174.843 174.700 -0.062 0.000 1.229 127 T CA -0.952 61.039 62.100 -0.183 0.000 1.044 127 T CB 2.698 71.516 68.868 -0.084 0.000 1.184 127 T HN -0.186 7.983 8.240 -0.118 0.000 0.477 128 N N 2.195 120.871 118.700 -0.040 0.000 2.515 128 N HA -0.228 nan 4.740 nan 0.000 0.191 128 N C 0.690 176.216 175.510 0.027 0.000 1.182 128 N CA 1.286 54.334 53.050 -0.004 0.000 0.879 128 N CB -0.578 37.907 38.487 -0.004 0.000 0.984 128 N HN 0.478 8.826 8.380 -0.054 0.000 0.453 129 E N -2.630 117.590 120.200 0.034 0.000 2.427 129 E HA -0.057 nan 4.350 nan 0.000 0.196 129 E C -0.247 176.420 176.600 0.111 0.000 1.028 129 E CA 0.700 57.134 56.400 0.058 0.000 0.864 129 E CB -0.002 29.715 29.700 0.027 0.000 0.813 129 E HN 0.008 8.293 8.360 0.019 0.087 0.514 130 T N -4.342 110.280 114.554 0.113 0.000 2.926 130 T HA 0.330 nan 4.350 nan 0.000 0.289 130 T C 0.641 175.407 174.700 0.109 0.000 1.054 130 T CA -1.871 60.319 62.100 0.151 0.000 1.015 130 T CB 3.003 71.966 68.868 0.159 0.000 1.167 130 T HN -0.759 7.534 8.240 0.089 0.000 0.526 131 D N 1.770 122.236 120.400 0.110 0.000 2.149 131 D HA -0.392 nan 4.640 nan 0.000 0.194 131 D C 0.746 177.084 176.300 0.064 0.000 1.001 131 D CA 2.490 56.536 54.000 0.076 0.000 0.849 131 D CB -0.736 40.107 40.800 0.071 0.000 0.939 131 D HN 0.292 8.746 8.370 0.140 0.000 0.449 132 V N -7.176 112.784 119.914 0.077 0.000 3.646 132 V HA 0.159 nan 4.120 nan 0.000 0.277 132 V C -0.441 175.711 176.094 0.096 0.000 1.274 132 V CA -0.638 61.712 62.300 0.084 0.000 1.164 132 V CB -1.686 30.196 31.823 0.099 0.000 0.926 132 V HN -0.523 7.718 8.190 0.084 0.000 0.442 133 L N -3.027 118.244 121.223 0.080 0.000 3.634 133 L HA -0.453 nan 4.340 nan 0.000 0.423 133 L C -0.932 175.999 176.870 0.102 0.000 1.253 133 L CA 1.125 56.002 54.840 0.063 0.000 0.885 133 L CB -3.072 39.005 42.059 0.029 0.000 1.789 133 L HN 0.096 8.188 8.230 0.072 0.181 0.904 134 M N -1.296 118.392 119.600 0.147 0.000 2.716 134 M HA 0.455 nan 4.480 nan 0.000 0.307 134 M C -2.607 173.803 176.300 0.182 0.000 1.223 134 M CA -3.264 52.173 55.300 0.228 0.000 0.871 134 M CB 1.589 34.350 32.600 0.269 0.000 1.739 134 M HN -0.329 8.037 8.290 0.127 0.000 0.475 135 P HA -0.001 nan 4.420 nan 0.000 0.271 135 P C -0.620 176.708 177.300 0.047 0.000 1.216 135 P CA -0.239 62.928 63.100 0.111 0.000 0.776 135 P CB 0.475 32.224 31.700 0.082 0.000 0.881 136 A N 5.063 127.854 122.820 -0.049 0.000 1.892 136 A HA -0.303 nan 4.320 nan 0.000 0.218 136 A C -0.579 176.877 177.584 -0.213 0.000 1.188 136 A CA 5.207 57.153 52.037 -0.153 0.000 0.631 136 A CB -2.689 15.944 19.000 -0.611 0.000 0.822 136 A HN 0.742 9.223 8.150 -0.044 -0.357 0.447 137 P HA -0.227 nan 4.420 nan 0.000 0.212 137 P C 1.060 178.425 177.300 0.108 0.000 1.180 137 P CA 2.957 66.060 63.100 0.006 0.000 0.906 137 P CB -0.453 31.330 31.700 0.138 0.000 0.782 138 I N -3.293 117.305 120.570 0.047 0.000 2.335 138 I HA -0.421 nan 4.170 nan 0.000 0.251 138 I C 1.363 177.389 176.117 -0.151 0.000 1.129 138 I CA 2.629 63.882 61.300 -0.079 0.000 1.402 138 I CB -0.324 37.656 38.000 -0.034 0.000 1.069 138 I HN 0.011 8.263 8.210 0.071 0.000 0.424 139 T N 3.359 117.897 114.554 -0.026 0.000 2.674 139 T HA -0.362 nan 4.350 nan 0.000 0.265 139 T C 2.155 176.746 174.700 -0.182 0.000 1.039 139 T CA 5.580 67.639 62.100 -0.069 0.000 1.150 139 T CB -0.557 68.241 68.868 -0.116 0.000 0.864 139 T HN -0.571 7.679 8.240 0.018 0.000 0.427 140 Y N 0.922 121.354 120.300 0.220 0.000 2.263 140 Y HA -0.346 nan 4.550 nan 0.000 0.292 140 Y C 1.542 177.574 175.900 0.221 0.000 1.130 140 Y CA 3.139 61.401 58.100 0.269 0.000 1.179 140 Y CB -0.748 37.955 38.460 0.405 0.000 0.998 140 Y HN -0.326 7.991 8.280 0.062 0.000 0.532 141 A N -0.451 122.513 122.820 0.240 0.000 1.873 141 A HA -0.472 nan 4.320 nan 0.000 0.218 141 A C 1.906 179.600 177.584 0.183 0.000 1.193 141 A CA 3.454 55.598 52.037 0.177 0.000 0.629 141 A CB -1.185 17.865 19.000 0.083 0.000 0.826 141 A HN 0.435 8.729 8.150 0.239 0.000 0.447 142 H N -1.663 117.502 119.070 0.159 0.000 2.319 142 H HA -0.386 nan 4.556 nan 0.000 0.299 142 H C 2.829 178.232 175.328 0.125 0.000 1.092 142 H CA 3.364 59.516 56.048 0.174 0.000 1.302 142 H CB 0.007 29.875 29.762 0.176 0.000 1.373 142 H HN -0.115 8.140 8.280 -0.043 0.000 0.497 143 R N -0.974 119.644 120.500 0.197 0.000 2.152 143 R HA -0.356 nan 4.340 nan 0.000 0.232 143 R C 2.538 178.908 176.300 0.118 0.000 1.117 143 R CA 3.233 59.395 56.100 0.103 0.000 0.981 143 R CB -0.411 29.918 30.300 0.048 0.000 0.870 143 R HN -0.166 8.122 8.270 0.163 0.079 0.451 144 L N -0.881 120.448 121.223 0.176 0.000 2.005 144 L HA -0.228 nan 4.340 nan 0.000 0.207 144 L C 2.200 179.143 176.870 0.122 0.000 1.072 144 L CA 3.049 57.986 54.840 0.162 0.000 0.744 144 L CB -1.175 41.003 42.059 0.199 0.000 0.895 144 L HN 0.160 8.408 8.230 0.212 0.110 0.433 145 V N -3.937 116.073 119.914 0.161 0.000 2.407 145 V HA -0.486 nan 4.120 nan 0.000 0.248 145 V C 2.061 178.184 176.094 0.048 0.000 1.055 145 V CA 3.736 66.139 62.300 0.171 0.000 1.049 145 V CB -1.315 30.683 31.823 0.292 0.000 0.662 145 V HN -0.626 7.686 8.190 0.203 0.000 0.455 146 Q N 1.196 120.916 119.800 -0.134 0.000 2.119 146 Q HA -0.368 nan 4.340 nan 0.000 0.201 146 Q C 2.036 177.875 176.000 -0.268 0.000 0.972 146 Q CA 3.497 58.981 55.803 -0.531 0.000 0.847 146 Q CB -0.088 28.295 28.738 -0.592 0.000 0.903 146 Q HN 0.241 8.493 8.270 -0.010 0.012 0.433 147 R N -0.013 120.417 120.500 -0.117 0.000 2.075 147 R HA -0.313 nan 4.340 nan 0.000 0.232 147 R C 1.994 178.255 176.300 -0.066 0.000 1.126 147 R CA 2.642 58.700 56.100 -0.070 0.000 0.963 147 R CB -0.751 29.544 30.300 -0.008 0.000 0.858 147 R HN -0.393 7.837 8.270 -0.068 0.000 0.435 148 Q N -0.549 119.229 119.800 -0.037 0.000 2.030 148 Q HA -0.331 nan 4.340 nan 0.000 0.204 148 Q C 2.111 178.069 176.000 -0.070 0.000 0.986 148 Q CA 3.334 59.113 55.803 -0.040 0.000 0.843 148 Q CB -0.095 28.647 28.738 0.007 0.000 0.904 148 Q HN -0.047 8.153 8.270 -0.008 0.065 0.420 149 A N -1.198 121.587 122.820 -0.059 0.000 1.908 149 A HA -0.354 nan 4.320 nan 0.000 0.218 149 A C 2.002 179.535 177.584 -0.085 0.000 1.181 149 A CA 3.133 55.139 52.037 -0.053 0.000 0.627 149 A CB -1.137 17.854 19.000 -0.014 0.000 0.818 149 A HN -0.059 8.056 8.150 -0.059 0.000 0.445 150 E N -1.311 118.823 120.200 -0.110 0.000 2.012 150 E HA -0.351 nan 4.350 nan 0.000 0.197 150 E C 2.149 178.691 176.600 -0.096 0.000 1.007 150 E CA 3.370 59.710 56.400 -0.101 0.000 0.816 150 E CB 0.341 29.978 29.700 -0.105 0.000 0.762 150 E HN -0.398 7.812 8.360 -0.133 0.071 0.451 151 V N -4.543 115.308 119.914 -0.105 0.000 2.626 151 V HA -0.280 nan 4.120 nan 0.000 0.252 151 V C 1.918 177.914 176.094 -0.164 0.000 1.067 151 V CA 3.042 65.268 62.300 -0.124 0.000 1.081 151 V CB -1.332 30.415 31.823 -0.127 0.000 0.686 151 V HN -0.050 8.080 8.190 -0.100 0.000 0.468 152 R N 1.217 121.618 120.500 -0.165 0.000 2.070 152 R HA -0.324 nan 4.340 nan 0.000 0.232 152 R C 2.549 178.771 176.300 -0.132 0.000 1.138 152 R CA 3.825 59.819 56.100 -0.176 0.000 0.936 152 R CB -0.132 30.080 30.300 -0.146 0.000 0.839 152 R HN 0.218 8.387 8.270 -0.143 0.015 0.429 153 K N -2.091 118.249 120.400 -0.100 0.000 2.432 153 K HA -0.137 nan 4.320 nan 0.000 0.196 153 K C 1.221 177.781 176.600 -0.068 0.000 1.038 153 K CA 2.092 58.334 56.287 -0.075 0.000 0.986 153 K CB -0.053 32.414 32.500 -0.055 0.000 0.782 153 K HN 0.015 8.113 8.250 -0.098 0.094 0.485 154 N N -2.802 115.852 118.700 -0.076 0.000 2.235 154 N HA 0.015 nan 4.740 nan 0.000 0.209 154 N C 0.637 176.109 175.510 -0.063 0.000 1.122 154 N CA -1.020 51.993 53.050 -0.063 0.000 0.845 154 N CB -0.822 37.629 38.487 -0.060 0.000 1.004 154 N HN -0.401 7.888 8.380 -0.090 0.037 0.499 155 G N -0.737 108.019 108.800 -0.075 0.000 2.320 155 G HA2 -0.392 nan 3.960 nan 0.000 0.242 155 G HA3 -0.392 nan 3.960 nan 0.000 0.242 155 G C 0.927 175.779 174.900 -0.079 0.000 1.033 155 G CA 0.900 45.960 45.100 -0.066 0.000 0.620 155 G HN -0.538 7.640 8.290 -0.088 0.059 0.517 156 T N 3.313 117.816 114.554 -0.086 0.000 2.607 156 T HA -0.312 nan 4.350 nan 0.000 0.267 156 T C 0.523 175.147 174.700 -0.125 0.000 1.049 156 T CA 3.448 65.499 62.100 -0.082 0.000 1.162 156 T CB 0.244 69.064 68.868 -0.079 0.000 0.863 156 T HN -0.365 7.997 8.240 -0.083 -0.173 0.424 157 L N -0.379 120.698 121.223 -0.243 0.000 2.892 157 L HA 0.629 nan 4.340 nan 0.000 0.251 157 L C -1.931 174.502 176.870 -0.729 0.000 1.339 157 L CA -3.124 51.420 54.840 -0.494 0.000 0.900 157 L CB 1.392 43.150 42.059 -0.501 0.000 1.246 157 L HN -0.372 7.722 8.230 -0.228 0.000 0.524 158 P HA 0.025 nan 4.420 nan 0.000 0.249 158 P C -0.705 176.483 177.300 -0.187 0.000 1.241 158 P CA 0.926 63.872 63.100 -0.257 0.000 0.781 158 P CB -0.408 31.232 31.700 -0.100 0.000 1.088 159 W N -4.858 116.447 121.300 0.009 0.000 3.003 159 W HA 0.066 nan 4.660 nan 0.000 0.257 159 W C -1.062 175.482 176.519 0.041 0.000 1.308 159 W CA -2.615 54.747 57.345 0.029 0.000 1.529 159 W CB -0.616 28.866 29.460 0.036 0.000 1.115 159 W HN -0.665 6.683 8.180 -1.248 0.084 0.659 160 L N 1.140 122.181 121.223 -0.303 0.000 2.490 160 L HA -0.281 nan 4.340 nan 0.000 0.274 160 L C -0.406 176.408 176.870 -0.094 0.000 1.201 160 L CA 0.654 55.384 54.840 -0.184 0.000 0.869 160 L CB -0.494 41.350 42.059 -0.359 0.000 1.123 160 L HN -0.604 7.160 8.230 -0.696 0.049 0.484 161 R N 3.608 124.061 120.500 -0.079 0.000 2.893 161 R HA 0.374 nan 4.340 nan 0.000 0.245 161 R C -1.101 175.084 176.300 -0.192 0.000 1.192 161 R CA -2.749 53.276 56.100 -0.125 0.000 1.077 161 R CB 0.161 30.413 30.300 -0.081 0.000 1.253 161 R HN 0.087 8.216 8.270 -0.074 0.097 0.505 162 P HA -0.230 nan 4.420 nan 0.000 0.217 162 P C -0.787 176.468 177.300 -0.075 0.000 1.150 162 P CA 1.781 64.727 63.100 -0.257 0.000 0.832 162 P CB 0.405 31.723 31.700 -0.637 0.000 0.787 163 D N -1.512 118.865 120.400 -0.038 0.000 2.351 163 D HA 0.172 nan 4.640 nan 0.000 0.251 163 D C -2.272 173.991 176.300 -0.063 0.000 1.137 163 D CA 0.536 54.565 54.000 0.048 0.000 0.879 163 D CB 1.289 42.170 40.800 0.135 0.000 1.181 163 D HN -0.617 7.973 8.370 -0.075 -0.266 0.448 164 A N 3.549 126.454 122.820 0.142 0.000 2.566 164 A HA 0.680 nan 4.320 nan 0.000 0.297 164 A C -2.538 175.205 177.584 0.265 0.000 1.059 164 A CA -0.331 51.808 52.037 0.170 0.000 0.691 164 A CB 3.679 22.743 19.000 0.107 0.000 1.282 164 A HN 0.113 8.402 8.150 0.231 0.000 0.401 165 K N 0.111 120.679 120.400 0.279 0.000 2.375 165 K HA 0.881 nan 4.320 nan 0.000 0.249 165 K C -1.570 175.145 176.600 0.192 0.000 0.942 165 K CA -2.028 54.393 56.287 0.222 0.000 0.806 165 K CB 3.869 36.499 32.500 0.216 0.000 1.227 165 K HN 0.385 8.815 8.250 0.300 0.000 0.430 166 S N 0.639 116.436 115.700 0.161 0.000 2.595 166 S HA 0.825 nan 4.470 nan 0.000 0.281 166 S C -2.106 172.573 174.600 0.132 0.000 1.117 166 S CA -1.763 56.534 58.200 0.162 0.000 0.873 166 S CB 3.842 67.149 63.200 0.178 0.000 1.108 166 S HN 0.726 9.120 8.310 0.140 0.000 0.477 167 Q N -0.240 119.642 119.800 0.136 0.000 2.403 167 Q HA 0.627 nan 4.340 nan 0.000 0.267 167 Q C -3.362 172.717 176.000 0.131 0.000 0.991 167 Q CA 0.282 56.149 55.803 0.107 0.000 0.906 167 Q CB 4.343 33.122 28.738 0.068 0.000 1.422 167 Q HN 0.101 8.465 8.270 0.156 0.000 0.400 168 V N 4.936 124.940 119.914 0.150 0.000 2.760 168 V HA 0.795 nan 4.120 nan 0.000 0.309 168 V C -3.040 173.177 176.094 0.204 0.000 1.077 168 V CA -1.994 60.413 62.300 0.179 0.000 0.910 168 V CB 4.127 36.118 31.823 0.281 0.000 1.008 168 V HN 0.096 8.371 8.190 0.141 0.000 0.424 169 T N 7.722 122.355 114.554 0.132 0.000 2.829 169 T HA 0.805 nan 4.350 nan 0.000 0.280 169 T C -1.893 172.902 174.700 0.158 0.000 0.999 169 T CA -2.461 59.729 62.100 0.149 0.000 0.983 169 T CB 2.139 71.039 68.868 0.052 0.000 0.968 169 T HN 0.498 8.765 8.240 0.045 0.000 0.446 170 F N 5.360 125.362 119.950 0.087 0.000 2.507 170 F HA 0.544 nan 4.527 nan 0.000 0.325 170 F C -2.153 173.757 175.800 0.183 0.000 1.116 170 F CA -1.093 56.964 58.000 0.094 0.000 0.930 170 F CB 4.316 43.452 39.000 0.227 0.000 1.146 170 F HN 0.687 9.229 8.300 0.403 0.000 0.447 171 Q N 3.434 123.367 119.800 0.221 0.000 2.278 171 Q HA 0.465 nan 4.340 nan 0.000 0.257 171 Q C -1.534 174.646 176.000 0.301 0.000 0.928 171 Q CA -1.119 54.832 55.803 0.246 0.000 0.932 171 Q CB 2.583 31.378 28.738 0.096 0.000 1.221 171 Q HN 0.789 9.062 8.270 0.005 0.000 0.434 172 Y N 5.748 126.146 120.300 0.162 0.000 2.409 172 Y HA 0.642 nan 4.550 nan 0.000 0.339 172 Y C -1.054 174.963 175.900 0.195 0.000 1.033 172 Y CA -2.196 56.007 58.100 0.171 0.000 1.094 172 Y CB 2.703 41.273 38.460 0.183 0.000 1.210 172 Y HN 0.825 9.468 8.280 0.605 0.000 0.456 173 D N 0.428 120.951 120.400 0.206 0.000 2.527 173 D HA 0.162 nan 4.640 nan 0.000 0.233 173 D C -1.889 174.458 176.300 0.079 0.000 1.063 173 D CA -2.479 51.560 54.000 0.065 0.000 0.880 173 D CB 3.993 44.803 40.800 0.018 0.000 1.457 173 D HN 0.427 8.878 8.370 0.134 0.000 0.475 174 D N 2.873 123.287 120.400 0.022 0.000 2.412 174 D HA -0.191 nan 4.640 nan 0.000 0.257 174 D C 1.135 177.509 176.300 0.123 0.000 1.217 174 D CA 2.187 56.237 54.000 0.083 0.000 0.897 174 D CB 0.098 40.908 40.800 0.018 0.000 1.132 174 D HN 0.366 8.729 8.370 -0.012 0.000 0.493 175 G N 5.008 113.947 108.800 0.232 0.000 2.302 175 G HA2 -0.498 nan 3.960 nan 0.000 0.263 175 G HA3 -0.498 nan 3.960 nan 0.000 0.263 175 G C -0.595 174.361 174.900 0.094 0.000 0.995 175 G CA 0.701 45.915 45.100 0.190 0.000 0.622 175 G HN 0.564 9.072 8.290 0.363 0.000 0.538 176 K N 2.596 123.020 120.400 0.041 0.000 2.312 176 K HA 0.189 nan 4.320 nan 0.000 0.287 176 K C -0.313 176.145 176.600 -0.237 0.000 1.062 176 K CA -1.477 54.776 56.287 -0.057 0.000 0.934 176 K CB 0.285 32.778 32.500 -0.013 0.000 1.027 176 K HN -0.030 8.082 8.250 0.075 0.184 0.478 177 I N 1.803 122.089 120.570 -0.474 0.000 2.664 177 I HA -0.040 nan 4.170 nan 0.000 0.284 177 I C 0.200 176.112 176.117 -0.342 0.000 1.154 177 I CA -0.070 60.804 61.300 -0.709 0.000 1.402 177 I CB -1.328 36.213 38.000 -0.764 0.000 1.395 177 I HN 0.245 8.239 8.210 -0.360 0.000 0.545 178 V N 3.047 122.813 119.914 -0.247 0.000 2.426 178 V HA 0.340 nan 4.120 nan 0.000 0.242 178 V C -0.264 175.704 176.094 -0.210 0.000 1.036 178 V CA 0.412 62.636 62.300 -0.126 0.000 1.044 178 V CB 0.743 32.544 31.823 -0.038 0.000 0.688 178 V HN 0.723 8.681 8.190 -0.219 0.100 0.462 179 G N -1.493 107.086 108.800 -0.369 0.000 2.340 179 G HA2 0.183 nan 3.960 nan 0.000 0.299 179 G HA3 0.183 nan 3.960 nan 0.000 0.299 179 G C -3.350 171.188 174.900 -0.603 0.000 1.291 179 G CA 0.618 45.444 45.100 -0.457 0.000 0.841 179 G HN -0.687 7.419 8.290 -0.307 0.000 0.500 180 I N -0.583 119.664 120.570 -0.539 0.000 2.312 180 I HA 0.163 nan 4.170 nan 0.000 0.290 180 I C -1.181 174.735 176.117 -0.335 0.000 1.008 180 I CA -0.587 60.345 61.300 -0.613 0.000 1.226 180 I CB 0.945 38.589 38.000 -0.594 0.000 1.371 180 I HN 0.189 8.210 8.210 -0.315 0.000 0.468 181 D N 9.578 129.833 120.400 -0.241 0.000 2.087 181 D HA -0.169 nan 4.640 nan 0.000 0.201 181 D C -1.359 174.831 176.300 -0.184 0.000 0.980 181 D CA 3.129 57.042 54.000 -0.146 0.000 0.849 181 D CB 0.978 41.744 40.800 -0.056 0.000 1.001 181 D HN 0.041 8.269 8.370 -0.236 0.000 0.452 182 A N -4.956 117.781 122.820 -0.139 0.000 2.423 182 A HA 0.794 nan 4.320 nan 0.000 0.304 182 A C -2.714 174.790 177.584 -0.134 0.000 1.104 182 A CA -1.689 50.267 52.037 -0.136 0.000 0.757 182 A CB 3.282 22.329 19.000 0.079 0.000 1.313 182 A HN -0.718 7.379 8.150 -0.088 0.000 0.423 183 V N -0.216 119.607 119.914 -0.152 0.000 2.686 183 V HA 0.863 nan 4.120 nan 0.000 0.306 183 V C -2.703 173.492 176.094 0.169 0.000 1.065 183 V CA -1.608 60.679 62.300 -0.021 0.000 0.894 183 V CB 3.764 35.532 31.823 -0.091 0.000 1.004 183 V HN 0.234 8.306 8.190 -0.197 0.000 0.424 184 V N 7.564 127.610 119.914 0.219 0.000 2.604 184 V HA 1.082 nan 4.120 nan 0.000 0.305 184 V C -3.064 173.167 176.094 0.229 0.000 1.043 184 V CA -2.800 59.666 62.300 0.276 0.000 0.888 184 V CB 3.453 35.413 31.823 0.229 0.000 0.995 184 V HN 0.760 9.055 8.190 0.175 0.000 0.429 185 L N 7.814 129.182 121.223 0.242 0.000 2.493 185 L HA 0.728 nan 4.340 nan 0.000 0.265 185 L C -2.638 174.374 176.870 0.236 0.000 0.954 185 L CA -0.273 54.700 54.840 0.221 0.000 0.844 185 L CB 4.374 46.560 42.059 0.211 0.000 1.302 185 L HN 0.887 9.278 8.230 0.268 0.000 0.405 186 S N 6.864 122.720 115.700 0.260 0.000 2.557 186 S HA 0.715 nan 4.470 nan 0.000 0.291 186 S C -1.971 172.838 174.600 0.348 0.000 1.116 186 S CA -0.955 57.454 58.200 0.348 0.000 0.992 186 S CB 3.052 66.483 63.200 0.386 0.000 1.028 186 S HN 0.600 9.059 8.310 0.248 0.000 0.484 187 T N 5.590 120.307 114.554 0.272 0.000 2.886 187 T HA 0.546 nan 4.350 nan 0.000 0.292 187 T C -1.701 172.796 174.700 -0.338 0.000 1.012 187 T CA -0.564 61.521 62.100 -0.025 0.000 0.982 187 T CB 2.887 71.807 68.868 0.088 0.000 1.018 187 T HN 0.812 9.610 8.240 0.379 -0.331 0.451 188 Q N 4.531 123.774 119.800 -0.928 0.000 2.394 188 Q HA 0.332 nan 4.340 nan 0.000 0.248 188 Q C -0.767 175.126 176.000 -0.179 0.000 0.992 188 Q CA 0.571 55.851 55.803 -0.871 0.000 0.888 188 Q CB 1.441 29.725 28.738 -0.758 0.000 1.257 188 Q HN 0.585 8.380 8.270 -0.792 0.000 0.462 189 H N -0.578 118.486 119.070 -0.009 0.000 3.017 189 H HA 0.561 nan 4.556 nan 0.000 0.346 189 H C -1.874 173.544 175.328 0.150 0.000 1.286 189 H CA -2.191 53.946 56.048 0.148 0.000 1.120 189 H CB 3.616 33.560 29.762 0.303 0.000 1.860 189 H HN 0.606 8.602 8.280 -0.473 0.000 0.542 190 S N -0.557 115.340 115.700 0.328 0.000 2.593 190 S HA 0.056 nan 4.470 nan 0.000 0.269 190 S C 1.608 176.369 174.600 0.267 0.000 1.334 190 S CA -0.760 57.576 58.200 0.226 0.000 1.015 190 S CB 1.436 64.768 63.200 0.220 0.000 0.912 190 S HN 0.220 8.797 8.310 0.444 0.000 0.541 191 E N 2.684 122.981 120.200 0.161 0.000 2.209 191 E HA -0.314 nan 4.350 nan 0.000 0.196 191 E C 1.215 177.881 176.600 0.109 0.000 0.993 191 E CA 2.803 59.284 56.400 0.135 0.000 0.819 191 E CB -0.836 28.918 29.700 0.089 0.000 0.745 191 E HN 0.604 9.039 8.360 0.125 0.000 0.477 192 E N -1.530 118.731 120.200 0.101 0.000 2.086 192 E HA -0.264 nan 4.350 nan 0.000 0.200 192 E C 0.431 177.011 176.600 -0.034 0.000 1.012 192 E CA 1.637 58.067 56.400 0.050 0.000 0.812 192 E CB -0.002 29.750 29.700 0.087 0.000 0.743 192 E HN -0.064 8.339 8.360 0.124 0.031 0.453 193 I N -0.182 120.338 120.570 -0.084 0.000 2.440 193 I HA -0.049 nan 4.170 nan 0.000 0.294 193 I C -1.667 174.276 176.117 -0.290 0.000 0.995 193 I CA -0.959 60.129 61.300 -0.354 0.000 1.306 193 I CB 1.422 38.919 38.000 -0.838 0.000 1.407 193 I HN -0.705 7.536 8.210 0.052 0.000 0.501 194 D N 6.887 127.103 120.400 -0.306 0.000 2.313 194 D HA 0.041 nan 4.640 nan 0.000 0.247 194 D C 1.292 177.427 176.300 -0.275 0.000 1.094 194 D CA -0.648 53.221 54.000 -0.217 0.000 0.925 194 D CB 2.160 42.862 40.800 -0.164 0.000 1.188 194 D HN -0.081 8.080 8.370 -0.348 0.000 0.430 195 Q N 1.820 121.513 119.800 -0.177 0.000 2.124 195 Q HA -0.291 nan 4.340 nan 0.000 0.202 195 Q C 2.277 178.203 176.000 -0.123 0.000 0.977 195 Q CA 3.519 59.231 55.803 -0.151 0.000 0.850 195 Q CB -0.125 28.580 28.738 -0.054 0.000 0.901 195 Q HN 0.506 8.706 8.270 -0.117 0.000 0.429 196 K N -0.760 119.577 120.400 -0.104 0.000 2.076 196 K HA -0.173 nan 4.320 nan 0.000 0.204 196 K C 2.169 178.707 176.600 -0.103 0.000 1.051 196 K CA 2.621 58.861 56.287 -0.079 0.000 0.949 196 K CB 0.099 32.564 32.500 -0.059 0.000 0.726 196 K HN -0.359 8.270 8.250 -0.105 -0.442 0.443 197 S N 0.289 115.896 115.700 -0.156 0.000 2.402 197 S HA -0.256 nan 4.470 nan 0.000 0.229 197 S C 2.022 176.486 174.600 -0.226 0.000 1.021 197 S CA 3.247 61.338 58.200 -0.182 0.000 0.974 197 S CB -0.271 62.794 63.200 -0.225 0.000 0.800 197 S HN -0.180 8.370 8.310 -0.171 -0.343 0.484 198 L N 2.759 123.779 121.223 -0.339 0.000 1.990 198 L HA -0.441 nan 4.340 nan 0.000 0.213 198 L C 0.983 177.872 176.870 0.031 0.000 1.072 198 L CA 3.513 58.199 54.840 -0.256 0.000 0.755 198 L CB -0.144 41.751 42.059 -0.272 0.000 0.889 198 L HN 0.203 8.210 8.230 -0.373 0.000 0.432 199 Q N -3.565 116.229 119.800 -0.009 0.000 2.297 199 Q HA -0.327 nan 4.340 nan 0.000 0.204 199 Q C 2.564 178.571 176.000 0.011 0.000 0.962 199 Q CA 2.555 58.375 55.803 0.028 0.000 0.879 199 Q CB -0.600 28.151 28.738 0.021 0.000 0.947 199 Q HN -0.116 8.118 8.270 -0.059 0.000 0.462 200 E N 1.930 122.126 120.200 -0.006 0.000 2.023 200 E HA -0.386 nan 4.350 nan 0.000 0.196 200 E C 1.943 178.565 176.600 0.037 0.000 1.003 200 E CA 3.275 59.672 56.400 -0.006 0.000 0.809 200 E CB -0.299 29.393 29.700 -0.013 0.000 0.755 200 E HN -0.335 8.009 8.360 -0.028 0.000 0.449 201 A N -1.056 121.830 122.820 0.110 0.000 1.877 201 A HA -0.250 nan 4.320 nan 0.000 0.216 201 A C 2.315 179.982 177.584 0.138 0.000 1.186 201 A CA 3.324 55.470 52.037 0.182 0.000 0.620 201 A CB -0.670 18.591 19.000 0.435 0.000 0.822 201 A HN -0.379 7.834 8.150 0.104 0.000 0.443 202 V N -0.197 119.813 119.914 0.159 0.000 2.287 202 V HA -0.474 nan 4.120 nan 0.000 0.248 202 V C 1.884 178.011 176.094 0.055 0.000 1.053 202 V CA 4.709 67.073 62.300 0.107 0.000 1.027 202 V CB -0.767 31.138 31.823 0.135 0.000 0.646 202 V HN 0.182 8.500 8.190 0.214 0.000 0.447 203 M N -1.191 118.418 119.600 0.014 0.000 2.117 203 M HA -0.389 nan 4.480 nan 0.000 0.262 203 M C 1.693 177.965 176.300 -0.047 0.000 1.065 203 M CA 2.898 58.159 55.300 -0.064 0.000 1.114 203 M CB -0.578 31.942 32.600 -0.133 0.000 1.361 203 M HN -0.491 7.813 8.290 0.024 0.000 0.408 204 E N -1.204 118.986 120.200 -0.017 0.000 2.033 204 E HA -0.222 nan 4.350 nan 0.000 0.189 204 E C 2.588 179.189 176.600 0.002 0.000 0.979 204 E CA 2.596 58.989 56.400 -0.011 0.000 0.802 204 E CB -0.341 29.360 29.700 0.001 0.000 0.763 204 E HN -0.037 8.324 8.360 0.001 0.000 0.449 205 E N -2.899 117.309 120.200 0.014 0.000 2.190 205 E HA 0.010 nan 4.350 nan 0.000 0.191 205 E C 1.653 178.257 176.600 0.007 0.000 0.978 205 E CA 1.835 58.239 56.400 0.006 0.000 0.839 205 E CB 1.066 30.765 29.700 -0.002 0.000 0.787 205 E HN -0.036 8.340 8.360 0.026 0.000 0.473 206 I N -0.701 119.883 120.570 0.023 0.000 2.962 206 I HA -0.176 nan 4.170 nan 0.000 0.246 206 I C 1.453 177.613 176.117 0.072 0.000 1.091 206 I CA 2.885 64.208 61.300 0.039 0.000 1.469 206 I CB 0.886 38.912 38.000 0.043 0.000 1.324 206 I HN -0.392 7.836 8.210 0.029 0.000 0.461 207 I N -1.266 119.355 120.570 0.086 0.000 2.133 207 I HA -0.529 nan 4.170 nan 0.000 0.238 207 I C 1.811 177.992 176.117 0.106 0.000 1.074 207 I CA 4.408 65.786 61.300 0.131 0.000 1.342 207 I CB 0.115 38.209 38.000 0.157 0.000 1.053 207 I HN -0.060 8.192 8.210 0.070 0.000 0.404 208 K N 0.063 120.490 120.400 0.044 0.000 2.152 208 K HA -0.193 nan 4.320 nan 0.000 0.206 208 K C -1.050 175.571 176.600 0.034 0.000 1.048 208 K CA 3.820 60.123 56.287 0.027 0.000 0.933 208 K CB -1.624 30.869 32.500 -0.013 0.000 0.721 208 K HN -0.359 7.899 8.250 0.014 0.000 0.447 209 P HA -0.080 nan 4.420 nan 0.000 0.249 209 P C -0.728 176.611 177.300 0.065 0.000 1.229 209 P CA 0.821 63.941 63.100 0.034 0.000 0.788 209 P CB 0.324 32.038 31.700 0.022 0.000 1.072 210 I N -4.952 115.682 120.570 0.107 0.000 3.812 210 I HA 0.118 nan 4.170 nan 0.000 0.292 210 I C -0.425 175.827 176.117 0.226 0.000 1.206 210 I CA -0.020 61.391 61.300 0.186 0.000 1.370 210 I CB 1.875 40.001 38.000 0.210 0.000 1.328 210 I HN -0.442 7.661 8.210 0.105 0.171 0.453 211 L N 0.738 122.052 121.223 0.153 0.000 2.319 211 L HA 0.189 nan 4.340 nan 0.000 0.280 211 L C -2.056 174.781 176.870 -0.056 0.000 1.099 211 L CA -1.799 53.076 54.840 0.058 0.000 0.828 211 L CB -0.574 41.556 42.059 0.119 0.000 1.150 211 L HN -0.698 7.618 8.230 0.144 0.000 0.442 212 P HA -0.003 nan 4.420 nan 0.000 0.267 212 P C -0.507 176.649 177.300 -0.241 0.000 1.209 212 P CA -0.228 62.639 63.100 -0.388 0.000 0.763 212 P CB 0.911 32.015 31.700 -0.992 0.000 0.816 213 A N 7.387 130.111 122.820 -0.161 0.000 1.969 213 A HA -0.222 nan 4.320 nan 0.000 0.218 213 A C 2.131 179.683 177.584 -0.053 0.000 1.169 213 A CA 2.619 54.616 52.037 -0.067 0.000 0.635 213 A CB -0.730 18.238 19.000 -0.053 0.000 0.810 213 A HN 0.443 8.483 8.150 -0.183 0.000 0.445 214 E N -1.252 118.876 120.200 -0.120 0.000 2.160 214 E HA -0.244 nan 4.350 nan 0.000 0.195 214 E C 0.773 177.418 176.600 0.074 0.000 0.991 214 E CA 2.308 58.668 56.400 -0.066 0.000 0.810 214 E CB -1.129 28.486 29.700 -0.143 0.000 0.742 214 E HN 0.496 8.744 8.360 -0.186 0.000 0.466 215 W N -2.431 118.810 121.300 -0.099 0.000 2.584 215 W HA -0.015 nan 4.660 nan 0.000 0.264 215 W C -0.583 175.839 176.519 -0.162 0.000 1.264 215 W CA -0.758 56.490 57.345 -0.160 0.000 1.306 215 W CB 0.064 29.368 29.460 -0.261 0.000 1.110 215 W HN -0.549 7.409 8.180 -0.163 0.125 0.606 216 L N -1.750 119.533 121.223 0.100 0.000 2.292 216 L HA 0.167 nan 4.340 nan 0.000 0.284 216 L C -0.161 176.746 176.870 0.062 0.000 1.065 216 L CA -0.203 54.679 54.840 0.071 0.000 0.806 216 L CB 0.358 42.508 42.059 0.152 0.000 1.175 216 L HN -0.546 7.540 8.230 0.080 0.192 0.431 217 T N -1.656 112.922 114.554 0.041 0.000 2.905 217 T HA 0.427 nan 4.350 nan 0.000 0.283 217 T C 1.548 176.281 174.700 0.055 0.000 1.031 217 T CA -1.631 60.490 62.100 0.034 0.000 1.002 217 T CB 2.711 71.582 68.868 0.005 0.000 1.200 217 T HN 0.414 8.664 8.240 0.017 0.000 0.560 218 S N 2.363 118.085 115.700 0.036 0.000 2.419 218 S HA -0.155 nan 4.470 nan 0.000 0.235 218 S C 0.489 175.107 174.600 0.030 0.000 1.019 218 S CA 2.689 60.910 58.200 0.034 0.000 0.982 218 S CB -0.457 62.754 63.200 0.019 0.000 0.789 218 S HN 0.451 8.777 8.310 0.027 0.000 0.490 219 A N -0.998 121.829 122.820 0.011 0.000 2.218 219 A HA 0.155 nan 4.320 nan 0.000 0.209 219 A C -0.585 176.975 177.584 -0.040 0.000 1.168 219 A CA 0.080 52.111 52.037 -0.009 0.000 0.804 219 A CB 0.511 19.501 19.000 -0.016 0.000 0.834 219 A HN -0.524 7.590 8.150 0.007 0.040 0.482 220 T N 3.124 117.648 114.554 -0.049 0.000 2.761 220 T HA -0.154 nan 4.350 nan 0.000 0.287 220 T C -0.278 174.274 174.700 -0.246 0.000 0.931 220 T CA 1.243 63.215 62.100 -0.213 0.000 1.164 220 T CB -0.602 68.078 68.868 -0.314 0.000 0.876 220 T HN -0.727 7.364 8.240 0.012 0.156 0.534 221 K N 8.009 128.243 120.400 -0.277 0.000 2.294 221 K HA 0.031 nan 4.320 nan 0.000 0.288 221 K C -0.898 175.403 176.600 -0.498 0.000 1.072 221 K CA -0.295 55.784 56.287 -0.347 0.000 0.960 221 K CB 0.286 32.634 32.500 -0.252 0.000 1.043 221 K HN -0.104 8.006 8.250 -0.234 0.000 0.455 222 F N 3.557 123.260 119.950 -0.411 0.000 2.410 222 F HA 0.294 nan 4.527 nan 0.000 0.349 222 F C 0.017 175.570 175.800 -0.411 0.000 1.117 222 F CA -0.885 56.959 58.000 -0.260 0.000 1.104 222 F CB 1.263 40.195 39.000 -0.114 0.000 1.122 222 F HN -0.168 8.139 8.300 0.013 0.000 0.483 223 F N 4.713 124.778 119.950 0.190 0.000 2.359 223 F HA 0.268 nan 4.527 nan 0.000 0.370 223 F C -1.434 174.457 175.800 0.152 0.000 1.077 223 F CA -1.296 56.787 58.000 0.138 0.000 1.136 223 F CB 0.815 39.870 39.000 0.091 0.000 1.387 223 F HN 0.950 9.338 8.300 0.325 0.106 0.468 224 I N 2.796 123.525 120.570 0.266 0.000 2.396 224 I HA -0.052 nan 4.170 nan 0.000 0.292 224 I C -0.157 176.087 176.117 0.211 0.000 0.999 224 I CA -0.329 61.104 61.300 0.222 0.000 1.310 224 I CB 0.607 38.702 38.000 0.158 0.000 1.404 224 I HN 0.076 8.411 8.210 0.209 0.000 0.496 225 N N 6.883 125.718 118.700 0.224 0.000 2.700 225 N HA -0.250 nan 4.740 nan 0.000 0.265 225 N C -1.310 174.311 175.510 0.186 0.000 0.975 225 N CA 1.136 54.322 53.050 0.226 0.000 0.800 225 N CB -1.339 37.285 38.487 0.227 0.000 0.908 225 N HN 0.381 8.903 8.380 0.237 0.000 0.551 226 P HA -0.123 nan 4.420 nan 0.000 0.216 226 P C 0.368 177.730 177.300 0.104 0.000 1.150 226 P CA 2.025 65.220 63.100 0.158 0.000 0.837 226 P CB -0.437 31.338 31.700 0.126 0.000 0.786 227 T N -8.104 106.496 114.554 0.077 0.000 3.107 227 T HA 0.145 nan 4.350 nan 0.000 0.249 227 T C 1.077 175.823 174.700 0.077 0.000 1.096 227 T CA -0.657 61.475 62.100 0.052 0.000 1.012 227 T CB -0.340 68.534 68.868 0.010 0.000 0.977 227 T HN 0.018 8.303 8.240 0.075 0.000 0.527 228 G N 2.401 111.274 108.800 0.121 0.000 2.339 228 G HA2 0.122 nan 3.960 nan 0.000 0.287 228 G HA3 0.122 nan 3.960 nan 0.000 0.287 228 G C -1.769 173.258 174.900 0.212 0.000 1.163 228 G CA -0.722 44.485 45.100 0.179 0.000 0.872 228 G HN -0.192 8.100 8.290 0.125 0.074 0.464 229 R N 3.940 124.574 120.500 0.222 0.000 2.467 229 R HA 0.231 nan 4.340 nan 0.000 0.299 229 R C -1.552 174.912 176.300 0.273 0.000 1.120 229 R CA -1.502 54.812 56.100 0.356 0.000 0.940 229 R CB 1.497 31.962 30.300 0.275 0.000 1.161 229 R HN -0.079 8.278 8.270 0.145 0.000 0.506 230 F N 7.742 127.753 119.950 0.103 0.000 2.377 230 F HA 0.148 nan 4.527 nan 0.000 0.360 230 F C -2.189 173.394 175.800 -0.361 0.000 1.147 230 F CA -2.614 55.352 58.000 -0.057 0.000 1.170 230 F CB -0.036 39.010 39.000 0.077 0.000 1.339 230 F HN 0.615 9.320 8.300 0.676 0.000 0.552 231 V N 6.779 126.714 119.914 0.035 0.000 2.743 231 V HA -0.027 nan 4.120 nan 0.000 0.237 231 V C -0.985 175.140 176.094 0.052 0.000 1.113 231 V CA 1.882 64.124 62.300 -0.097 0.000 1.141 231 V CB 1.386 33.176 31.823 -0.056 0.000 0.873 231 V HN -0.231 8.045 8.190 0.143 0.000 0.486 232 I N -6.742 113.905 120.570 0.129 0.000 2.577 232 I HA 0.504 nan 4.170 nan 0.000 0.300 232 I C -0.105 176.163 176.117 0.251 0.000 0.990 232 I CA -1.306 60.085 61.300 0.152 0.000 1.283 232 I CB 1.271 39.332 38.000 0.102 0.000 1.411 232 I HN -0.715 7.572 8.210 0.127 0.000 0.515 233 G N 2.459 111.404 108.800 0.242 0.000 2.510 233 G HA2 0.285 nan 3.960 nan 0.000 0.277 233 G HA3 0.285 nan 3.960 nan 0.000 0.277 233 G C -1.446 173.530 174.900 0.126 0.000 1.223 233 G CA 0.010 45.291 45.100 0.300 0.000 0.887 233 G HN -0.044 8.370 8.290 0.207 0.000 0.485 234 G N 0.219 109.070 108.800 0.085 0.000 2.578 234 G HA2 -0.347 nan 3.960 nan 0.000 0.275 234 G HA3 -0.347 nan 3.960 nan 0.000 0.275 234 G C -2.261 172.430 174.900 -0.348 0.000 1.271 234 G CA 0.292 45.229 45.100 -0.271 0.000 0.941 234 G HN -0.228 8.523 8.290 0.194 -0.345 0.564 235 P HA -0.107 nan 4.420 nan 0.000 0.225 235 P C -0.515 176.674 177.300 -0.185 0.000 1.148 235 P CA 1.196 64.037 63.100 -0.432 0.000 0.779 235 P CB 0.348 31.589 31.700 -0.766 0.000 0.780 236 M N 0.350 119.893 119.600 -0.096 0.000 2.513 236 M HA -0.352 nan 4.480 nan 0.000 0.341 236 M C 0.727 177.013 176.300 -0.023 0.000 1.689 236 M CA -0.296 55.005 55.300 0.001 0.000 1.202 236 M CB -1.945 30.679 32.600 0.040 0.000 1.996 236 M HN -0.740 7.400 8.290 -0.138 0.066 0.458 237 G N 4.837 113.624 108.800 -0.022 0.000 2.184 237 G HA2 -0.475 nan 3.960 nan 0.000 0.264 237 G HA3 -0.475 nan 3.960 nan 0.000 0.264 237 G C -1.068 173.798 174.900 -0.056 0.000 0.975 237 G CA 0.221 45.304 45.100 -0.029 0.000 0.642 237 G HN 0.211 8.492 8.290 -0.015 0.000 0.536 238 D N -1.106 119.241 120.400 -0.088 0.000 2.726 238 D HA 0.269 nan 4.640 nan 0.000 0.241 238 D C -2.337 173.876 176.300 -0.145 0.000 1.150 238 D CA -1.187 52.742 54.000 -0.118 0.000 1.089 238 D CB 3.064 43.773 40.800 -0.151 0.000 1.260 238 D HN -0.611 7.518 8.370 -0.098 0.182 0.637 239 C N -0.232 118.954 119.300 -0.189 0.000 3.050 239 C HA 0.271 nan 4.460 nan 0.000 0.416 239 C C -1.472 173.337 174.990 -0.301 0.000 0.994 239 C CA -0.697 58.168 59.018 -0.255 0.000 1.222 239 C CB 1.910 29.518 27.740 -0.219 0.000 1.612 239 C HN -0.026 8.092 8.230 -0.186 0.000 0.550 240 G N 6.121 114.708 108.800 -0.354 0.000 2.452 240 G HA2 0.612 nan 3.960 nan 0.000 0.324 240 G HA3 0.612 nan 3.960 nan 0.000 0.324 240 G C -2.958 171.749 174.900 -0.321 0.000 1.214 240 G CA -0.999 43.942 45.100 -0.265 0.000 0.947 240 G HN 0.794 8.731 8.290 -0.408 0.108 0.478 241 L N 1.456 122.554 121.223 -0.208 0.000 2.422 241 L HA 0.684 nan 4.340 nan 0.000 0.264 241 L C -0.372 176.456 176.870 -0.070 0.000 0.984 241 L CA -1.036 53.712 54.840 -0.153 0.000 0.819 241 L CB 4.469 46.448 42.059 -0.134 0.000 1.330 241 L HN -0.362 7.960 8.230 -0.139 -0.176 0.410 242 T N 0.531 115.066 114.554 -0.032 0.000 2.940 242 T HA -0.030 nan 4.350 nan 0.000 0.309 242 T C 1.264 175.936 174.700 -0.046 0.000 1.056 242 T CA 0.521 62.605 62.100 -0.027 0.000 1.137 242 T CB 0.279 69.142 68.868 -0.007 0.000 0.976 242 T HN 0.054 8.288 8.240 -0.010 0.000 0.547 243 G N 7.448 116.209 108.800 -0.065 0.000 2.141 243 G HA2 -0.299 nan 3.960 nan 0.000 0.242 243 G HA3 -0.299 nan 3.960 nan 0.000 0.242 243 G C 0.614 175.442 174.900 -0.119 0.000 0.982 243 G CA 0.693 45.728 45.100 -0.107 0.000 0.662 243 G HN 0.314 8.861 8.290 -0.053 -0.288 0.527 244 R N -1.555 118.887 120.500 -0.096 0.000 2.156 244 R HA 0.070 nan 4.340 nan 0.000 0.207 244 R C 0.132 176.362 176.300 -0.116 0.000 1.040 244 R CA 0.593 56.634 56.100 -0.098 0.000 1.013 244 R CB 0.459 30.717 30.300 -0.070 0.000 0.931 244 R HN -0.617 7.554 8.270 -0.076 0.054 0.465 245 K N 0.027 120.360 120.400 -0.111 0.000 3.100 245 K HA 0.143 nan 4.320 nan 0.000 0.256 245 K C 0.337 176.854 176.600 -0.139 0.000 1.146 245 K CA -1.573 54.643 56.287 -0.119 0.000 1.233 245 K CB -1.494 30.937 32.500 -0.116 0.000 1.226 245 K HN -0.205 7.991 8.250 -0.090 0.000 0.442 246 I N 1.095 121.534 120.570 -0.219 0.000 2.113 246 I HA -0.472 nan 4.170 nan 0.000 0.242 246 I C 0.909 176.849 176.117 -0.295 0.000 1.064 246 I CA 3.639 64.725 61.300 -0.357 0.000 1.320 246 I CB -0.002 37.716 38.000 -0.469 0.000 1.028 246 I HN -0.754 7.193 8.210 -0.206 0.140 0.406 247 I N -1.645 118.789 120.570 -0.227 0.000 2.179 247 I HA -0.391 nan 4.170 nan 0.000 0.242 247 I C 1.630 177.753 176.117 0.010 0.000 1.088 247 I CA 3.546 64.800 61.300 -0.077 0.000 1.357 247 I CB -0.735 37.220 38.000 -0.075 0.000 1.051 247 I HN -0.039 8.024 8.210 -0.245 0.000 0.409 248 V N -1.009 118.906 119.914 0.002 0.000 2.332 248 V HA -0.479 nan 4.120 nan 0.000 0.248 248 V C 1.889 178.107 176.094 0.205 0.000 1.055 248 V CA 3.575 65.930 62.300 0.092 0.000 1.038 248 V CB -0.869 31.005 31.823 0.085 0.000 0.651 248 V HN -0.695 7.468 8.190 -0.046 0.000 0.450 249 D N -0.691 119.775 120.400 0.110 0.000 2.106 249 D HA -0.328 nan 4.640 nan 0.000 0.191 249 D C 2.212 178.561 176.300 0.082 0.000 0.997 249 D CA 3.575 57.671 54.000 0.160 0.000 0.834 249 D CB -0.500 40.343 40.800 0.071 0.000 0.956 249 D HN 0.418 8.806 8.370 0.030 0.000 0.448 250 T N 1.195 115.761 114.554 0.020 0.000 2.577 250 T HA -0.111 nan 4.350 nan 0.000 0.241 250 T C 1.084 175.660 174.700 -0.206 0.000 1.163 250 T CA 4.386 66.428 62.100 -0.096 0.000 1.401 250 T CB 0.603 69.550 68.868 0.132 0.000 0.956 250 T HN -0.589 7.670 8.240 0.031 0.000 0.397 251 Y N -5.311 115.153 120.300 0.273 0.000 2.998 251 Y HA 0.091 nan 4.550 nan 0.000 0.264 251 Y C -0.239 175.713 175.900 0.086 0.000 1.092 251 Y CA -0.841 57.369 58.100 0.183 0.000 1.247 251 Y CB 2.094 40.608 38.460 0.090 0.000 1.283 251 Y HN -0.273 8.096 8.280 0.149 0.000 0.605 252 G N 0.446 109.345 108.800 0.166 0.000 2.269 252 G HA2 -0.479 nan 3.960 nan 0.000 0.277 252 G HA3 -0.479 nan 3.960 nan 0.000 0.277 252 G C 0.162 175.159 174.900 0.161 0.000 1.008 252 G CA 1.371 46.539 45.100 0.114 0.000 0.774 252 G HN -0.185 8.186 8.290 0.134 0.000 0.511 253 G N -4.303 104.592 108.800 0.159 0.000 2.157 253 G HA2 -0.431 nan 3.960 nan 0.000 0.248 253 G HA3 -0.431 nan 3.960 nan 0.000 0.248 253 G C 0.357 175.392 174.900 0.225 0.000 0.979 253 G CA 0.404 45.598 45.100 0.158 0.000 0.650 253 G HN -0.077 8.270 8.290 0.169 0.044 0.529 254 M N 0.365 119.994 119.600 0.048 0.000 2.117 254 M HA -0.231 nan 4.480 nan 0.000 0.262 254 M C -1.113 174.845 176.300 -0.569 0.000 1.065 254 M CA 1.885 56.928 55.300 -0.428 0.000 1.114 254 M CB 0.238 32.532 32.600 -0.510 0.000 1.361 254 M HN 0.022 8.226 8.290 0.126 0.161 0.408 255 A N -5.224 117.269 122.820 -0.545 0.000 2.347 255 A HA 0.447 nan 4.320 nan 0.000 0.301 255 A C -0.560 176.862 177.584 -0.270 0.000 1.163 255 A CA -1.332 50.368 52.037 -0.563 0.000 0.860 255 A CB 2.044 20.563 19.000 -0.802 0.000 1.367 255 A HN -0.642 7.334 8.150 -0.289 0.000 0.461 256 R N -0.923 119.319 120.500 -0.429 0.000 2.584 256 R HA 0.069 nan 4.340 nan 0.000 0.253 256 R C -0.693 175.391 176.300 -0.359 0.000 1.251 256 R CA -0.261 55.479 56.100 -0.601 0.000 1.129 256 R CB 1.152 30.686 30.300 -1.278 0.000 1.239 256 R HN -0.006 8.262 8.270 -0.480 -0.286 0.595 257 H N -3.437 115.430 119.070 -0.338 0.000 3.086 257 H HA 0.129 nan 4.556 nan 0.000 0.353 257 H C -0.680 174.769 175.328 0.202 0.000 1.134 257 H CA -0.360 55.713 56.048 0.041 0.000 1.248 257 H CB 2.312 32.071 29.762 -0.005 0.000 1.878 257 H HN 0.056 8.159 8.280 -0.295 0.000 0.527 258 G N 2.649 111.700 108.800 0.419 0.000 2.563 258 G HA2 0.052 nan 3.960 nan 0.000 0.283 258 G HA3 0.052 nan 3.960 nan 0.000 0.283 258 G C 0.278 175.350 174.900 0.287 0.000 1.309 258 G CA -1.243 44.045 45.100 0.313 0.000 1.022 258 G HN 0.174 8.673 8.290 0.349 0.000 0.501 259 G N -1.453 107.442 108.800 0.158 0.000 2.499 259 G HA2 -0.261 nan 3.960 nan 0.000 0.221 259 G HA3 -0.261 nan 3.960 nan 0.000 0.221 259 G C -0.074 174.855 174.900 0.049 0.000 1.109 259 G CA 0.705 45.852 45.100 0.079 0.000 0.749 259 G HN 0.433 8.798 8.290 0.125 0.000 0.568 260 G N -0.522 108.354 108.800 0.127 0.000 2.371 260 G HA2 0.177 nan 3.960 nan 0.000 0.326 260 G HA3 0.177 nan 3.960 nan 0.000 0.326 260 G C -2.197 172.629 174.900 -0.123 0.000 1.127 260 G CA -1.427 43.677 45.100 0.008 0.000 0.885 260 G HN -0.607 7.794 8.290 0.281 0.057 0.477 261 A N 2.836 125.560 122.820 -0.161 0.000 2.304 261 A HA 0.354 nan 4.320 nan 0.000 0.271 261 A C 0.218 177.713 177.584 -0.149 0.000 1.091 261 A CA -0.176 51.707 52.037 -0.255 0.000 0.812 261 A CB 1.389 20.304 19.000 -0.143 0.000 1.056 261 A HN 0.000 8.088 8.150 -0.105 0.000 0.489 262 F N -1.058 118.781 119.950 -0.185 0.000 2.490 262 F HA 0.134 nan 4.527 nan 0.000 0.280 262 F C 0.475 176.169 175.800 -0.177 0.000 1.030 262 F CA 0.484 58.322 58.000 -0.270 0.000 1.367 262 F CB 0.579 39.332 39.000 -0.412 0.000 1.131 262 F HN 0.425 8.573 8.300 -0.254 0.000 0.632 263 S N -1.340 114.433 115.700 0.122 0.000 2.549 263 S HA -0.228 nan 4.470 nan 0.000 0.286 263 S C 1.313 175.917 174.600 0.007 0.000 1.314 263 S CA 2.655 60.902 58.200 0.077 0.000 1.062 263 S CB 0.062 63.323 63.200 0.102 0.000 0.865 263 S HN -0.315 8.066 8.310 0.117 0.000 0.498 264 G N 3.946 112.740 108.800 -0.009 0.000 2.184 264 G HA2 -0.439 nan 3.960 nan 0.000 0.264 264 G HA3 -0.439 nan 3.960 nan 0.000 0.264 264 G C -1.077 173.778 174.900 -0.075 0.000 0.975 264 G CA 0.623 45.705 45.100 -0.030 0.000 0.642 264 G HN 0.722 9.377 8.290 0.007 -0.362 0.536 265 K N 1.562 121.890 120.400 -0.120 0.000 2.213 265 K HA 0.414 nan 4.320 nan 0.000 0.270 265 K C -1.223 175.221 176.600 -0.260 0.000 1.002 265 K CA -1.845 54.344 56.287 -0.163 0.000 0.868 265 K CB 1.300 33.707 32.500 -0.156 0.000 1.093 265 K HN -0.619 7.507 8.250 -0.120 0.052 0.454 266 D N 5.100 125.367 120.400 -0.222 0.000 2.360 266 D HA 0.121 nan 4.640 nan 0.000 0.242 266 D C -0.275 175.843 176.300 -0.302 0.000 1.184 266 D CA -1.383 52.464 54.000 -0.256 0.000 0.930 266 D CB -0.160 40.550 40.800 -0.150 0.000 1.161 266 D HN -0.117 8.155 8.370 -0.164 0.000 0.447 267 P HA -0.225 nan 4.420 nan 0.000 0.221 267 P C 0.817 177.937 177.300 -0.300 0.000 1.145 267 P CA 2.474 65.400 63.100 -0.290 0.000 0.795 267 P CB -0.110 31.487 31.700 -0.171 0.000 0.775 268 S N -2.838 112.704 115.700 -0.264 0.000 2.465 268 S HA -0.304 nan 4.470 nan 0.000 0.241 268 S C 0.650 175.079 174.600 -0.285 0.000 1.000 268 S CA 2.484 60.502 58.200 -0.303 0.000 0.964 268 S CB -0.279 62.829 63.200 -0.154 0.000 0.763 268 S HN -0.024 8.487 8.310 -0.205 -0.323 0.512 269 K N 2.964 123.208 120.400 -0.259 0.000 2.315 269 K HA 0.057 nan 4.320 nan 0.000 0.291 269 K C 0.660 177.085 176.600 -0.291 0.000 1.074 269 K CA -0.620 55.523 56.287 -0.240 0.000 0.936 269 K CB -0.914 31.462 32.500 -0.205 0.000 1.049 269 K HN -0.702 7.339 8.250 -0.258 0.054 0.471 270 V N 1.815 121.541 119.914 -0.314 0.000 2.380 270 V HA -0.458 nan 4.120 nan 0.000 0.251 270 V C 1.198 177.155 176.094 -0.228 0.000 1.063 270 V CA 3.456 65.536 62.300 -0.367 0.000 1.055 270 V CB -0.798 30.666 31.823 -0.599 0.000 0.657 270 V HN 0.056 8.063 8.190 -0.305 0.000 0.455 271 D N -0.029 120.283 120.400 -0.146 0.000 2.170 271 D HA -0.382 nan 4.640 nan 0.000 0.193 271 D C 1.760 178.042 176.300 -0.031 0.000 1.004 271 D CA 3.672 57.644 54.000 -0.046 0.000 0.860 271 D CB -0.522 40.265 40.800 -0.023 0.000 0.931 271 D HN 0.079 8.350 8.370 -0.151 0.009 0.448 272 R N -1.299 119.063 120.500 -0.230 0.000 2.041 272 R HA -0.041 nan 4.340 nan 0.000 0.221 272 R C 2.105 177.861 176.300 -0.908 0.000 1.196 272 R CA 2.552 58.267 56.100 -0.641 0.000 0.969 272 R CB 1.199 31.080 30.300 -0.698 0.000 0.858 272 R HN -0.473 7.632 8.270 -0.250 0.015 0.444 273 S N 0.045 115.364 115.700 -0.636 0.000 2.383 273 S HA -0.218 nan 4.470 nan 0.000 0.227 273 S C 2.123 176.557 174.600 -0.276 0.000 1.026 273 S CA 3.188 61.098 58.200 -0.484 0.000 0.981 273 S CB -0.060 62.936 63.200 -0.339 0.000 0.818 273 S HN -0.050 7.962 8.310 -0.497 0.000 0.472 274 A N 1.886 124.574 122.820 -0.221 0.000 1.902 274 A HA -0.256 nan 4.320 nan 0.000 0.217 274 A C 1.541 179.126 177.584 0.003 0.000 1.181 274 A CA 2.835 54.847 52.037 -0.042 0.000 0.623 274 A CB -1.062 17.980 19.000 0.069 0.000 0.818 274 A HN 0.035 7.907 8.150 -0.281 0.109 0.443 275 A N -0.950 121.844 122.820 -0.044 0.000 1.902 275 A HA -0.268 nan 4.320 nan 0.000 0.217 275 A C 1.959 179.608 177.584 0.109 0.000 1.181 275 A CA 3.002 55.081 52.037 0.071 0.000 0.623 275 A CB -0.838 18.260 19.000 0.164 0.000 0.818 275 A HN -0.488 7.587 8.150 -0.126 0.000 0.443 276 Y N -1.659 118.478 120.300 -0.272 0.000 2.165 276 Y HA -0.411 nan 4.550 nan 0.000 0.286 276 Y C 2.376 178.226 175.900 -0.083 0.000 1.155 276 Y CA 0.806 58.683 58.100 -0.372 0.000 1.164 276 Y CB -1.202 36.811 38.460 -0.746 0.000 0.978 276 Y HN 0.044 8.109 8.280 -0.358 0.000 0.513 277 A N -1.547 121.344 122.820 0.119 0.000 1.902 277 A HA -0.402 nan 4.320 nan 0.000 0.217 277 A C 1.867 179.527 177.584 0.128 0.000 1.181 277 A CA 2.862 54.983 52.037 0.140 0.000 0.623 277 A CB -1.085 17.982 19.000 0.111 0.000 0.818 277 A HN 0.306 8.488 8.150 0.053 0.000 0.443 278 A N -1.123 121.744 122.820 0.078 0.000 1.908 278 A HA -0.351 nan 4.320 nan 0.000 0.218 278 A C 1.679 179.270 177.584 0.011 0.000 1.181 278 A CA 3.081 55.137 52.037 0.032 0.000 0.627 278 A CB -0.809 18.227 19.000 0.060 0.000 0.818 278 A HN 0.343 8.465 8.150 0.082 0.078 0.445 279 R N -0.861 119.643 120.500 0.007 0.000 2.096 279 R HA -0.372 nan 4.340 nan 0.000 0.240 279 R C 1.595 177.930 176.300 0.059 0.000 1.139 279 R CA 2.351 58.413 56.100 -0.063 0.000 0.952 279 R CB -0.756 29.331 30.300 -0.355 0.000 0.854 279 R HN -0.254 8.027 8.270 0.018 0.000 0.436 280 Y N -1.050 119.249 120.300 -0.001 0.000 2.145 280 Y HA -0.413 nan 4.550 nan 0.000 0.286 280 Y C 1.772 177.556 175.900 -0.193 0.000 1.145 280 Y CA 4.003 62.101 58.100 -0.004 0.000 1.148 280 Y CB 0.134 38.654 38.460 0.100 0.000 0.981 280 Y HN -0.379 8.005 8.280 0.287 0.069 0.507 281 V N -0.661 119.055 119.914 -0.330 0.000 2.295 281 V HA -0.545 nan 4.120 nan 0.000 0.246 281 V C 1.370 177.199 176.094 -0.442 0.000 1.049 281 V CA 3.467 65.271 62.300 -0.827 0.000 1.024 281 V CB -1.015 30.153 31.823 -1.091 0.000 0.648 281 V HN 0.051 8.175 8.190 -0.111 0.000 0.447 282 A N -0.130 122.543 122.820 -0.245 0.000 1.865 282 A HA -0.419 nan 4.320 nan 0.000 0.217 282 A C 1.530 179.018 177.584 -0.161 0.000 1.191 282 A CA 3.475 55.407 52.037 -0.175 0.000 0.623 282 A CB -0.852 18.065 19.000 -0.139 0.000 0.826 282 A HN -0.063 7.968 8.150 -0.198 0.000 0.444 283 K N -1.656 118.666 120.400 -0.131 0.000 2.103 283 K HA -0.402 nan 4.320 nan 0.000 0.207 283 K C 2.356 178.885 176.600 -0.118 0.000 1.048 283 K CA 3.384 59.617 56.287 -0.090 0.000 0.930 283 K CB -0.200 32.291 32.500 -0.016 0.000 0.716 283 K HN 0.035 8.217 8.250 -0.113 0.000 0.444 284 N N -0.427 118.156 118.700 -0.194 0.000 2.120 284 N HA -0.270 nan 4.740 nan 0.000 0.188 284 N C 2.298 177.741 175.510 -0.110 0.000 1.024 284 N CA 3.614 56.561 53.050 -0.171 0.000 0.852 284 N CB 0.075 38.428 38.487 -0.224 0.000 1.003 284 N HN -0.263 7.950 8.380 -0.268 0.006 0.424 285 I N 0.894 121.397 120.570 -0.110 0.000 2.151 285 I HA -0.509 nan 4.170 nan 0.000 0.243 285 I C 1.483 177.556 176.117 -0.074 0.000 1.080 285 I CA 4.645 65.899 61.300 -0.077 0.000 1.339 285 I CB -0.085 37.867 38.000 -0.079 0.000 1.039 285 I HN -0.115 8.002 8.210 -0.155 0.000 0.409 286 V N -1.529 118.334 119.914 -0.085 0.000 2.453 286 V HA -0.387 nan 4.120 nan 0.000 0.247 286 V C 2.441 178.502 176.094 -0.055 0.000 1.048 286 V CA 4.165 66.422 62.300 -0.072 0.000 1.049 286 V CB -1.120 30.650 31.823 -0.088 0.000 0.672 286 V HN -0.218 7.910 8.190 -0.103 0.000 0.457 287 A N 0.788 123.574 122.820 -0.057 0.000 1.969 287 A HA -0.243 nan 4.320 nan 0.000 0.218 287 A C 1.235 178.791 177.584 -0.045 0.000 1.169 287 A CA 2.910 54.921 52.037 -0.044 0.000 0.635 287 A CB -0.540 18.433 19.000 -0.045 0.000 0.810 287 A HN 0.061 8.170 8.150 -0.068 0.000 0.445 288 A N -4.144 118.642 122.820 -0.058 0.000 2.239 288 A HA -0.036 nan 4.320 nan 0.000 0.209 288 A C -0.023 177.535 177.584 -0.044 0.000 1.171 288 A CA -0.096 51.906 52.037 -0.059 0.000 0.768 288 A CB 0.054 19.007 19.000 -0.079 0.000 0.790 288 A HN -0.153 7.957 8.150 -0.067 0.000 0.478 289 G N -2.582 106.195 108.800 -0.038 0.000 2.160 289 G HA2 -0.316 nan 3.960 nan 0.000 0.251 289 G HA3 -0.316 nan 3.960 nan 0.000 0.251 289 G C 0.184 175.068 174.900 -0.027 0.000 1.008 289 G CA 0.811 45.895 45.100 -0.028 0.000 0.724 289 G HN -0.213 7.844 8.290 -0.041 0.208 0.514 290 L N -1.830 119.373 121.223 -0.033 0.000 2.395 290 L HA -0.095 nan 4.340 nan 0.000 0.218 290 L C -1.498 175.358 176.870 -0.024 0.000 1.130 290 L CA 1.089 55.913 54.840 -0.027 0.000 0.826 290 L CB -0.128 41.914 42.059 -0.028 0.000 0.941 290 L HN -0.356 7.820 8.230 -0.041 0.030 0.451 291 A N -5.886 116.917 122.820 -0.028 0.000 2.566 291 A HA 0.108 nan 4.320 nan 0.000 0.290 291 A C -2.161 175.409 177.584 -0.023 0.000 1.071 291 A CA -0.398 51.626 52.037 -0.021 0.000 0.658 291 A CB 2.035 21.017 19.000 -0.030 0.000 1.285 291 A HN -0.922 7.169 8.150 -0.034 0.039 0.427 292 D N -2.072 118.323 120.400 -0.008 0.000 2.262 292 D HA 0.059 nan 4.640 nan 0.000 0.212 292 D C -0.161 176.114 176.300 -0.043 0.000 0.964 292 D CA 2.202 56.193 54.000 -0.015 0.000 0.875 292 D CB 1.808 42.611 40.800 0.005 0.000 0.996 292 D HN -0.151 8.225 8.370 0.010 0.000 0.497 293 R N -3.460 117.031 120.500 -0.014 0.000 2.574 293 R HA 0.513 nan 4.340 nan 0.000 0.288 293 R C -2.337 173.972 176.300 0.014 0.000 1.004 293 R CA -0.962 55.102 56.100 -0.060 0.000 0.895 293 R CB 3.512 33.821 30.300 0.015 0.000 1.191 293 R HN -0.775 7.517 8.270 0.037 0.000 0.444 294 C N 4.183 123.361 119.300 -0.203 0.000 2.608 294 C HA 0.562 nan 4.460 nan 0.000 0.325 294 C C -2.279 172.591 174.990 -0.201 0.000 1.147 294 C CA -1.401 57.518 59.018 -0.165 0.000 1.359 294 C CB 2.819 30.462 27.740 -0.161 0.000 1.912 294 C HN 0.747 8.681 8.230 -0.493 0.000 0.466 295 E N 7.289 127.464 120.200 -0.042 0.000 2.248 295 E HA 0.851 nan 4.350 nan 0.000 0.267 295 E C -2.351 174.294 176.600 0.074 0.000 0.877 295 E CA -1.658 54.849 56.400 0.178 0.000 0.759 295 E CB 4.242 34.190 29.700 0.413 0.000 1.182 295 E HN 0.537 8.794 8.360 -0.172 0.000 0.418 296 I N 4.297 124.936 120.570 0.114 0.000 2.498 296 I HA 0.408 nan 4.170 nan 0.000 0.290 296 I C -2.250 173.851 176.117 -0.027 0.000 1.032 296 I CA -1.248 60.060 61.300 0.014 0.000 1.073 296 I CB 3.467 41.445 38.000 -0.036 0.000 1.251 296 I HN 0.635 8.959 8.210 0.189 0.000 0.426 297 Q N 6.988 126.650 119.800 -0.229 0.000 2.290 297 Q HA 0.584 nan 4.340 nan 0.000 0.259 297 Q C -2.406 173.382 176.000 -0.353 0.000 0.941 297 Q CA -1.119 54.322 55.803 -0.603 0.000 0.912 297 Q CB 2.844 31.050 28.738 -0.888 0.000 1.244 297 Q HN -0.017 8.155 8.270 -0.163 0.000 0.441 298 V N 6.144 125.877 119.914 -0.302 0.000 2.628 298 V HA 0.806 nan 4.120 nan 0.000 0.306 298 V C -2.533 173.371 176.094 -0.316 0.000 1.045 298 V CA -3.077 59.057 62.300 -0.275 0.000 0.905 298 V CB 3.592 35.300 31.823 -0.191 0.000 0.997 298 V HN 0.575 8.582 8.190 -0.304 0.000 0.436 299 S N 5.861 121.304 115.700 -0.428 0.000 2.667 299 S HA 0.921 nan 4.470 nan 0.000 0.292 299 S C -1.500 172.756 174.600 -0.573 0.000 1.126 299 S CA -1.812 56.198 58.200 -0.316 0.000 0.881 299 S CB 3.061 66.151 63.200 -0.182 0.000 1.132 299 S HN 0.021 8.049 8.310 -0.471 0.000 0.492 300 Y N -1.900 118.375 120.300 -0.042 0.000 2.581 300 Y HA 0.277 nan 4.550 nan 0.000 0.345 300 Y C -1.857 174.031 175.900 -0.021 0.000 1.036 300 Y CA -0.740 57.344 58.100 -0.028 0.000 1.042 300 Y CB 4.851 43.294 38.460 -0.028 0.000 1.289 300 Y HN 0.428 8.765 8.280 0.095 0.000 0.471 301 A N -0.384 122.522 122.820 0.144 0.000 2.374 301 A HA 0.342 nan 4.320 nan 0.000 0.317 301 A C -1.751 175.884 177.584 0.084 0.000 1.094 301 A CA -2.376 49.711 52.037 0.083 0.000 0.765 301 A CB 2.906 21.931 19.000 0.042 0.000 1.268 301 A HN 0.510 8.761 8.150 0.170 0.000 0.438 302 I N 0.886 121.487 120.570 0.053 0.000 2.668 302 I HA -0.366 nan 4.170 nan 0.000 0.285 302 I C 1.067 177.205 176.117 0.035 0.000 1.168 302 I CA 1.175 62.497 61.300 0.036 0.000 1.424 302 I CB -0.013 37.999 38.000 0.020 0.000 1.377 302 I HN 0.057 8.293 8.210 0.043 0.000 0.560 303 G N 6.534 115.356 108.800 0.037 0.000 2.179 303 G HA2 -0.443 nan 3.960 nan 0.000 0.260 303 G HA3 -0.443 nan 3.960 nan 0.000 0.260 303 G C -1.559 173.365 174.900 0.041 0.000 0.977 303 G CA 0.250 45.370 45.100 0.033 0.000 0.641 303 G HN 0.452 8.765 8.290 0.038 0.000 0.533 304 V N -0.198 119.751 119.914 0.058 0.000 2.612 304 V HA 0.243 nan 4.120 nan 0.000 0.301 304 V C -0.880 175.273 176.094 0.098 0.000 1.046 304 V CA -1.464 60.874 62.300 0.063 0.000 0.946 304 V CB 2.025 33.881 31.823 0.056 0.000 1.003 304 V HN -0.566 7.602 8.190 0.068 0.063 0.459 305 A N 3.846 126.722 122.820 0.094 0.000 1.993 305 A HA 0.213 nan 4.320 nan 0.000 0.207 305 A C -0.703 176.969 177.584 0.146 0.000 1.224 305 A CA 1.508 53.620 52.037 0.125 0.000 0.749 305 A CB 0.539 19.597 19.000 0.097 0.000 0.884 305 A HN 0.236 8.427 8.150 0.069 0.000 0.467 306 E N -0.720 119.535 120.200 0.093 0.000 2.373 306 E HA 0.147 nan 4.350 nan 0.000 0.267 306 E C -2.179 174.438 176.600 0.028 0.000 1.032 306 E CA -2.769 53.670 56.400 0.064 0.000 0.889 306 E CB 0.772 30.488 29.700 0.027 0.000 0.984 306 E HN -0.273 8.128 8.360 0.069 0.000 0.425 307 P HA -0.037 nan 4.420 nan 0.000 0.265 307 P C -0.947 176.231 177.300 -0.204 0.000 1.193 307 P CA 0.413 63.314 63.100 -0.331 0.000 0.765 307 P CB 0.866 32.315 31.700 -0.417 0.000 0.823 308 T N 1.491 115.922 114.554 -0.205 0.000 2.915 308 T HA -0.150 nan 4.350 nan 0.000 0.269 308 T C -0.106 174.514 174.700 -0.133 0.000 1.071 308 T CA 1.389 63.415 62.100 -0.124 0.000 1.132 308 T CB -0.072 68.745 68.868 -0.085 0.000 0.878 308 T HN 0.055 8.138 8.240 -0.262 0.000 0.479 309 S N -0.625 114.963 115.700 -0.187 0.000 2.550 309 S HA 0.074 nan 4.470 nan 0.000 0.270 309 S C -2.097 172.393 174.600 -0.184 0.000 1.145 309 S CA -0.963 57.144 58.200 -0.154 0.000 0.852 309 S CB 2.812 65.931 63.200 -0.134 0.000 1.119 309 S HN -0.871 7.262 8.310 -0.267 0.017 0.465 310 I N 1.483 121.971 120.570 -0.136 0.000 2.730 310 I HA 0.633 nan 4.170 nan 0.000 0.298 310 I C -1.443 174.609 176.117 -0.108 0.000 1.089 310 I CA -1.182 60.041 61.300 -0.128 0.000 1.041 310 I CB 4.077 42.026 38.000 -0.085 0.000 1.235 310 I HN 0.077 8.223 8.210 -0.108 0.000 0.423 311 M N 6.545 126.076 119.600 -0.114 0.000 2.271 311 M HA 0.495 nan 4.480 nan 0.000 0.285 311 M C -2.585 173.663 176.300 -0.086 0.000 1.059 311 M CA -0.959 54.286 55.300 -0.093 0.000 0.940 311 M CB 3.619 36.158 32.600 -0.102 0.000 1.636 311 M HN 0.249 8.459 8.290 -0.134 0.000 0.460 312 V N 1.059 120.924 119.914 -0.081 0.000 2.417 312 V HA 0.646 nan 4.120 nan 0.000 0.291 312 V C -1.774 174.230 176.094 -0.150 0.000 1.024 312 V CA -2.858 59.383 62.300 -0.099 0.000 0.861 312 V CB 0.674 32.448 31.823 -0.081 0.000 0.985 312 V HN 0.422 8.568 8.190 -0.073 0.000 0.436 313 E N 7.875 127.932 120.200 -0.238 0.000 2.101 313 E HA 0.391 nan 4.350 nan 0.000 0.260 313 E C -1.191 175.032 176.600 -0.628 0.000 0.897 313 E CA -1.818 54.311 56.400 -0.452 0.000 0.744 313 E CB 2.262 31.597 29.700 -0.609 0.000 1.140 313 E HN 0.573 8.812 8.360 -0.202 0.000 0.419 314 T N 2.619 116.942 114.554 -0.385 0.000 2.744 314 T HA 0.524 nan 4.350 nan 0.000 0.291 314 T C 0.014 174.591 174.700 -0.205 0.000 0.957 314 T CA -1.711 60.248 62.100 -0.235 0.000 1.002 314 T CB 0.228 69.034 68.868 -0.104 0.000 0.919 314 T HN 0.135 8.211 8.240 -0.273 0.000 0.468 315 F N 4.192 124.131 119.950 -0.018 0.000 2.499 315 F HA 0.020 nan 4.527 nan 0.000 0.353 315 F C 1.296 177.095 175.800 -0.002 0.000 1.196 315 F CA -2.518 55.481 58.000 -0.001 0.000 1.244 315 F CB -1.981 37.023 39.000 0.006 0.000 1.577 315 F HN -0.017 8.538 8.300 0.424 0.000 0.614 316 G N 3.490 112.355 108.800 0.108 0.000 2.233 316 G HA2 -0.425 nan 3.960 nan 0.000 0.270 316 G HA3 -0.425 nan 3.960 nan 0.000 0.270 316 G C -0.740 174.199 174.900 0.065 0.000 1.011 316 G CA 1.127 46.270 45.100 0.073 0.000 0.762 316 G HN -0.006 8.320 8.290 0.047 -0.008 0.511 317 T N -8.517 106.078 114.554 0.068 0.000 3.200 317 T HA 0.148 nan 4.350 nan 0.000 0.284 317 T C -0.260 174.454 174.700 0.025 0.000 1.009 317 T CA -2.003 60.130 62.100 0.054 0.000 0.907 317 T CB -0.203 68.713 68.868 0.080 0.000 1.120 317 T HN 0.042 8.312 8.240 0.061 0.006 0.534 318 E N 2.005 122.213 120.200 0.013 0.000 2.392 318 E HA 0.023 nan 4.350 nan 0.000 0.256 318 E C -0.131 176.469 176.600 0.001 0.000 1.145 318 E CA 0.878 57.278 56.400 -0.001 0.000 0.929 318 E CB 0.683 30.379 29.700 -0.006 0.000 0.998 318 E HN -0.483 7.818 8.360 0.017 0.068 0.442 319 K N -1.366 119.032 120.400 -0.004 0.000 2.438 319 K HA 0.280 nan 4.320 nan 0.000 0.206 319 K C -1.041 175.558 176.600 -0.002 0.000 1.081 319 K CA -0.450 55.835 56.287 -0.002 0.000 1.053 319 K CB 1.346 33.843 32.500 -0.005 0.000 0.908 319 K HN 0.442 8.688 8.250 -0.008 0.000 0.556 320 V N -4.531 115.382 119.914 -0.002 0.000 3.012 320 V HA 0.481 nan 4.120 nan 0.000 0.307 320 V C -3.069 173.024 176.094 -0.001 0.000 1.166 320 V CA -4.330 57.971 62.300 0.001 0.000 0.974 320 V CB 1.123 32.949 31.823 0.004 0.000 1.040 320 V HN -0.737 7.450 8.190 -0.004 0.000 0.428 321 P HA 0.167 nan 4.420 nan 0.000 0.269 321 P C 1.279 178.576 177.300 -0.005 0.000 1.209 321 P CA -0.341 62.757 63.100 -0.003 0.000 0.776 321 P CB 1.222 32.921 31.700 -0.001 0.000 0.876 322 S N 3.067 118.759 115.700 -0.013 0.000 2.440 322 S HA -0.462 nan 4.470 nan 0.000 0.240 322 S C 1.813 176.407 174.600 -0.010 0.000 1.014 322 S CA 4.295 62.484 58.200 -0.019 0.000 0.980 322 S CB -0.346 62.834 63.200 -0.033 0.000 0.775 322 S HN 0.805 9.106 8.310 -0.017 0.000 0.499 323 E N 1.399 121.595 120.200 -0.006 0.000 2.017 323 E HA -0.258 nan 4.350 nan 0.000 0.193 323 E C 2.017 178.622 176.600 0.008 0.000 0.997 323 E CA 2.896 59.295 56.400 -0.001 0.000 0.804 323 E CB -1.317 28.382 29.700 -0.002 0.000 0.757 323 E HN 0.340 8.659 8.360 -0.006 0.037 0.448 324 Q N -0.735 119.072 119.800 0.012 0.000 2.077 324 Q HA -0.303 nan 4.340 nan 0.000 0.206 324 Q C 2.494 178.515 176.000 0.035 0.000 0.989 324 Q CA 3.139 58.956 55.803 0.024 0.000 0.853 324 Q CB -0.583 28.168 28.738 0.021 0.000 0.907 324 Q HN -0.025 8.250 8.270 0.008 0.000 0.418 325 L N -1.322 119.915 121.223 0.024 0.000 1.989 325 L HA -0.465 nan 4.340 nan 0.000 0.211 325 L C 1.951 178.849 176.870 0.046 0.000 1.071 325 L CA 3.503 58.362 54.840 0.031 0.000 0.749 325 L CB -0.111 41.951 42.059 0.005 0.000 0.890 325 L HN 0.057 8.235 8.230 0.012 0.060 0.431 326 T N 0.836 115.405 114.554 0.025 0.000 2.881 326 T HA -0.313 nan 4.350 nan 0.000 0.270 326 T C 2.762 177.490 174.700 0.046 0.000 1.068 326 T CA 4.134 66.250 62.100 0.027 0.000 1.131 326 T CB -0.555 68.313 68.868 0.001 0.000 0.871 326 T HN 0.182 8.319 8.240 0.009 0.109 0.479 327 L N 2.341 123.590 121.223 0.043 0.000 1.955 327 L HA -0.428 nan 4.340 nan 0.000 0.213 327 L C 1.232 178.153 176.870 0.084 0.000 1.072 327 L CA 3.546 58.413 54.840 0.045 0.000 0.755 327 L CB -0.074 42.006 42.059 0.036 0.000 0.888 327 L HN -0.053 8.090 8.230 0.035 0.108 0.432 328 L N -3.310 117.997 121.223 0.139 0.000 2.083 328 L HA -0.424 nan 4.340 nan 0.000 0.209 328 L C 2.276 179.351 176.870 0.342 0.000 1.083 328 L CA 3.705 58.707 54.840 0.271 0.000 0.752 328 L CB -0.707 41.533 42.059 0.302 0.000 0.899 328 L HN -0.403 7.897 8.230 0.116 0.000 0.433 329 V N -0.509 119.577 119.914 0.287 0.000 2.233 329 V HA -0.536 nan 4.120 nan 0.000 0.247 329 V C 1.726 178.038 176.094 0.364 0.000 1.050 329 V CA 4.219 66.747 62.300 0.379 0.000 1.010 329 V CB -0.715 31.212 31.823 0.174 0.000 0.637 329 V HN 0.186 8.495 8.190 0.198 0.000 0.444 330 R N -4.742 115.865 120.500 0.178 0.000 2.339 330 R HA -0.243 nan 4.340 nan 0.000 0.199 330 R C 0.797 177.131 176.300 0.057 0.000 1.018 330 R CA 2.078 58.247 56.100 0.114 0.000 1.036 330 R CB -0.660 29.670 30.300 0.051 0.000 0.899 330 R HN -0.428 7.922 8.270 0.134 0.000 0.473 331 E N -0.430 119.778 120.200 0.013 0.000 2.121 331 E HA -0.049 nan 4.350 nan 0.000 0.194 331 E C 0.797 177.222 176.600 -0.290 0.000 0.940 331 E CA 1.187 57.480 56.400 -0.178 0.000 0.884 331 E CB 0.366 29.883 29.700 -0.305 0.000 0.874 331 E HN -0.444 7.769 8.360 0.089 0.200 0.471 332 F N -2.336 117.437 119.950 -0.295 0.000 2.722 332 F HA -0.138 nan 4.527 nan 0.000 0.298 332 F C -1.036 174.214 175.800 -0.916 0.000 1.175 332 F CA 3.088 60.684 58.000 -0.674 0.000 1.462 332 F CB 0.557 38.962 39.000 -0.992 0.000 1.111 332 F HN -0.299 7.972 8.300 -0.048 0.000 0.592 333 F N -4.029 116.037 119.950 0.193 0.000 2.557 333 F HA 0.231 nan 4.527 nan 0.000 0.316 333 F C -1.659 174.218 175.800 0.129 0.000 1.141 333 F CA -2.219 55.899 58.000 0.196 0.000 0.922 333 F CB 2.668 41.792 39.000 0.207 0.000 1.194 333 F HN -0.830 7.362 8.300 -0.011 0.101 0.443 334 D N 3.995 124.550 120.400 0.258 0.000 2.280 334 D HA 0.060 nan 4.640 nan 0.000 0.243 334 D C -0.905 175.519 176.300 0.205 0.000 1.129 334 D CA -0.480 53.626 54.000 0.178 0.000 0.848 334 D CB 1.087 41.966 40.800 0.132 0.000 1.107 334 D HN -0.039 8.503 8.370 0.287 0.000 0.471 335 L N 3.620 124.956 121.223 0.187 0.000 3.014 335 L HA 0.174 nan 4.340 nan 0.000 0.263 335 L C -0.526 176.486 176.870 0.237 0.000 1.207 335 L CA -1.340 53.623 54.840 0.206 0.000 1.017 335 L CB 1.002 43.170 42.059 0.183 0.000 1.360 335 L HN 0.262 8.588 8.230 0.160 0.000 0.560 336 R N 0.948 121.555 120.500 0.179 0.000 2.543 336 R HA 0.102 nan 4.340 nan 0.000 0.277 336 R C -1.583 174.779 176.300 0.103 0.000 1.074 336 R CA -0.590 55.615 56.100 0.175 0.000 1.076 336 R CB -1.380 29.006 30.300 0.143 0.000 0.993 336 R HN -0.128 8.505 8.270 0.151 -0.272 0.459 337 P HA -0.290 nan 4.420 nan 0.000 0.217 337 P C 0.868 178.000 177.300 -0.279 0.000 1.158 337 P CA 2.957 65.928 63.100 -0.215 0.000 0.887 337 P CB -0.014 31.540 31.700 -0.244 0.000 0.792 338 Y N -5.028 115.260 120.300 -0.021 0.000 2.457 338 Y HA -0.194 nan 4.550 nan 0.000 0.292 338 Y C 2.299 178.209 175.900 0.017 0.000 1.125 338 Y CA 2.989 61.084 58.100 -0.009 0.000 1.254 338 Y CB -0.863 37.592 38.460 -0.008 0.000 1.012 338 Y HN -0.042 8.427 8.280 0.314 0.000 0.555 339 G N 0.118 108.998 108.800 0.132 0.000 2.414 339 G HA2 -0.331 nan 3.960 nan 0.000 0.215 339 G HA3 -0.331 nan 3.960 nan 0.000 0.215 339 G C 0.859 175.811 174.900 0.086 0.000 1.188 339 G CA 1.968 47.135 45.100 0.112 0.000 0.783 339 G HN -0.070 8.172 8.290 0.139 0.131 0.537 340 L N -0.563 120.698 121.223 0.062 0.000 2.131 340 L HA -0.233 nan 4.340 nan 0.000 0.210 340 L C 2.038 178.915 176.870 0.012 0.000 1.092 340 L CA 2.914 57.786 54.840 0.053 0.000 0.759 340 L CB -1.299 40.792 42.059 0.052 0.000 0.903 340 L HN 0.062 8.328 8.230 0.060 0.000 0.435 341 I N -0.193 120.351 120.570 -0.044 0.000 2.264 341 I HA -0.641 nan 4.170 nan 0.000 0.248 341 I C 2.071 178.211 176.117 0.037 0.000 1.111 341 I CA 4.059 65.337 61.300 -0.037 0.000 1.382 341 I CB -0.740 37.186 38.000 -0.123 0.000 1.060 341 I HN -0.370 7.782 8.210 -0.092 0.003 0.418 342 Q N -1.137 118.699 119.800 0.061 0.000 2.096 342 Q HA -0.241 nan 4.340 nan 0.000 0.197 342 Q C 3.058 179.107 176.000 0.081 0.000 0.964 342 Q CA 3.035 58.886 55.803 0.081 0.000 0.838 342 Q CB 0.027 28.819 28.738 0.090 0.000 0.906 342 Q HN -0.455 7.751 8.270 0.060 0.100 0.444 343 M N 0.833 120.483 119.600 0.083 0.000 2.202 343 M HA -0.297 nan 4.480 nan 0.000 0.262 343 M C 0.507 176.822 176.300 0.025 0.000 1.063 343 M CA 3.554 58.908 55.300 0.091 0.000 1.097 343 M CB 0.353 33.039 32.600 0.143 0.000 1.382 343 M HN 0.007 8.161 8.290 0.082 0.185 0.413 344 L N -7.148 114.081 121.223 0.009 0.000 2.808 344 L HA 0.162 nan 4.340 nan 0.000 0.246 344 L C -0.867 176.060 176.870 0.095 0.000 1.153 344 L CA -1.172 53.664 54.840 -0.007 0.000 0.956 344 L CB 0.202 42.266 42.059 0.008 0.000 1.270 344 L HN -0.698 7.528 8.230 0.039 0.027 0.528 345 D N 0.207 120.675 120.400 0.113 0.000 2.980 345 D HA -0.292 nan 4.640 nan 0.000 0.218 345 D C 0.150 176.606 176.300 0.260 0.000 1.225 345 D CA 1.338 55.442 54.000 0.174 0.000 0.804 345 D CB -0.699 40.213 40.800 0.186 0.000 0.906 345 D HN -0.434 7.870 8.370 0.091 0.120 0.396 346 L N -1.160 120.179 121.223 0.194 0.000 2.477 346 L HA 0.019 nan 4.340 nan 0.000 0.220 346 L C 0.214 177.192 176.870 0.179 0.000 1.106 346 L CA 0.825 55.819 54.840 0.256 0.000 0.851 346 L CB 0.485 42.687 42.059 0.238 0.000 0.994 346 L HN -0.405 7.905 8.230 0.133 0.000 0.462 347 L N -1.056 120.137 121.223 -0.051 0.000 2.382 347 L HA -0.049 nan 4.340 nan 0.000 0.259 347 L C -0.781 175.757 176.870 -0.553 0.000 1.291 347 L CA -0.082 54.652 54.840 -0.176 0.000 1.176 347 L CB -2.339 39.617 42.059 -0.172 0.000 1.373 347 L HN -0.236 7.958 8.230 -0.060 0.000 0.426 348 H N 1.832 120.989 119.070 0.145 0.000 3.085 348 H HA 0.207 nan 4.556 nan 0.000 0.356 348 H C -2.213 173.157 175.328 0.069 0.000 1.178 348 H CA -2.154 53.940 56.048 0.077 0.000 1.214 348 H CB 3.203 32.979 29.762 0.024 0.000 1.881 348 H HN 0.080 8.429 8.280 0.160 0.028 0.538 349 P HA 0.017 nan 4.420 nan 0.000 0.259 349 P C -1.185 176.121 177.300 0.010 0.000 1.635 349 P CA 0.956 64.130 63.100 0.123 0.000 1.199 349 P CB -0.859 30.911 31.700 0.116 0.000 1.850 350 I N -6.380 114.045 120.570 -0.242 0.000 4.050 350 I HA 0.320 nan 4.170 nan 0.000 0.327 350 I C -0.663 175.263 176.117 -0.318 0.000 1.473 350 I CA -0.827 60.306 61.300 -0.279 0.000 1.124 350 I CB 0.453 38.278 38.000 -0.292 0.000 1.129 350 I HN -0.342 7.570 8.210 -0.467 0.017 0.428 351 Y N -0.289 120.086 120.300 0.124 0.000 2.436 351 Y HA -0.043 nan 4.550 nan 0.000 0.288 351 Y C 1.782 177.726 175.900 0.074 0.000 1.112 351 Y CA 1.609 59.767 58.100 0.097 0.000 1.220 351 Y CB 0.205 38.719 38.460 0.090 0.000 1.073 351 Y HN -0.219 8.570 8.280 0.041 -0.484 0.552 352 K N 0.636 121.144 120.400 0.181 0.000 2.103 352 K HA -0.402 nan 4.320 nan 0.000 0.207 352 K C 2.052 178.712 176.600 0.100 0.000 1.048 352 K CA 3.884 60.247 56.287 0.126 0.000 0.930 352 K CB -0.336 32.228 32.500 0.106 0.000 0.716 352 K HN -0.087 8.767 8.250 0.176 -0.498 0.444 353 E N -1.974 118.302 120.200 0.128 0.000 2.204 353 E HA -0.247 nan 4.350 nan 0.000 0.195 353 E C 1.767 178.463 176.600 0.160 0.000 0.990 353 E CA 2.803 59.308 56.400 0.174 0.000 0.821 353 E CB -0.408 29.458 29.700 0.277 0.000 0.750 353 E HN 0.141 8.564 8.360 0.132 0.017 0.477 354 T N 0.376 114.956 114.554 0.043 0.000 2.881 354 T HA -0.159 nan 4.350 nan 0.000 0.270 354 T C 1.289 175.719 174.700 -0.450 0.000 1.068 354 T CA 3.107 65.065 62.100 -0.237 0.000 1.131 354 T CB -0.350 68.417 68.868 -0.168 0.000 0.871 354 T HN -0.315 7.814 8.240 0.071 0.153 0.479 355 A N -0.330 122.376 122.820 -0.191 0.000 2.238 355 A HA -0.000 nan 4.320 nan 0.000 0.208 355 A C -1.843 175.619 177.584 -0.204 0.000 1.177 355 A CA 0.592 52.539 52.037 -0.149 0.000 0.804 355 A CB 0.304 19.297 19.000 -0.012 0.000 0.823 355 A HN -0.279 7.668 8.150 -0.063 0.165 0.482 356 A N -4.872 117.759 122.820 -0.315 0.000 2.486 356 A HA 0.457 nan 4.320 nan 0.000 0.300 356 A C -1.936 175.235 177.584 -0.687 0.000 1.048 356 A CA -0.167 51.508 52.037 -0.603 0.000 0.696 356 A CB 1.688 20.209 19.000 -0.797 0.000 1.278 356 A HN -0.857 7.079 8.150 -0.254 0.062 0.405 357 Y N -4.521 115.656 120.300 -0.203 0.000 4.936 357 Y HA -0.542 nan 4.550 nan 0.000 0.266 357 Y C -1.002 174.464 175.900 -0.723 0.000 0.909 357 Y CA 0.323 58.189 58.100 -0.388 0.000 1.828 357 Y CB -2.140 36.227 38.460 -0.155 0.000 1.283 357 Y HN 0.856 8.691 8.280 -0.743 0.000 0.511 358 G N -4.556 103.958 108.800 -0.477 0.000 2.911 358 G HA2 -0.403 nan 3.960 nan 0.000 0.686 358 G HA3 -0.403 nan 3.960 nan 0.000 0.686 358 G C 0.096 174.967 174.900 -0.049 0.000 1.136 358 G CA -0.344 44.599 45.100 -0.260 0.000 0.764 358 G HN -0.813 7.166 8.290 -0.372 0.088 0.626 359 H N 3.237 122.217 119.070 -0.151 0.000 2.502 359 H HA 0.086 nan 4.556 nan 0.000 0.283 359 H C 0.129 175.493 175.328 0.061 0.000 1.015 359 H CA 3.425 59.307 56.048 -0.278 0.000 1.298 359 H CB 0.733 30.062 29.762 -0.722 0.000 1.411 359 H HN 0.061 8.372 8.280 0.051 0.000 0.556 360 F N -4.634 115.569 119.950 0.422 0.000 2.598 360 F HA 0.129 nan 4.527 nan 0.000 0.327 360 F C 0.390 176.391 175.800 0.335 0.000 1.057 360 F CA -2.039 56.210 58.000 0.416 0.000 0.957 360 F CB 2.058 41.259 39.000 0.336 0.000 1.278 360 F HN -0.771 7.616 8.300 0.227 0.049 0.484 361 G N -1.359 107.731 108.800 0.484 0.000 2.195 361 G HA2 -0.325 nan 3.960 nan 0.000 0.246 361 G HA3 -0.325 nan 3.960 nan 0.000 0.246 361 G C -0.772 174.233 174.900 0.174 0.000 0.984 361 G CA 0.255 45.535 45.100 0.301 0.000 0.633 361 G HN 0.189 9.253 8.290 0.502 -0.474 0.525 362 R N 0.615 121.192 120.500 0.129 0.000 2.423 362 R HA 0.168 nan 4.340 nan 0.000 0.293 362 R C 0.111 176.222 176.300 -0.315 0.000 1.196 362 R CA -1.829 54.208 56.100 -0.105 0.000 1.262 362 R CB -0.185 29.982 30.300 -0.222 0.000 1.116 362 R HN -0.263 8.107 8.270 0.267 0.060 0.566 363 E N 3.581 123.711 120.200 -0.117 0.000 2.355 363 E HA -0.390 nan 4.350 nan 0.000 0.209 363 E C 0.295 176.776 176.600 -0.198 0.000 1.050 363 E CA 2.660 58.994 56.400 -0.109 0.000 0.843 363 E CB -0.545 29.136 29.700 -0.032 0.000 0.742 363 E HN 0.552 8.893 8.360 -0.032 0.000 0.489 364 H N -6.044 112.789 119.070 -0.397 0.000 2.567 364 H HA 0.138 nan 4.556 nan 0.000 0.294 364 H C -0.699 174.374 175.328 -0.424 0.000 1.050 364 H CA -1.310 54.515 56.048 -0.371 0.000 1.168 364 H CB -0.868 28.678 29.762 -0.360 0.000 1.422 364 H HN -0.387 7.510 8.280 -0.475 0.098 0.562 365 F N 1.324 120.790 119.950 -0.807 0.000 2.425 365 F HA 0.401 nan 4.527 nan 0.000 0.331 365 F C -1.186 174.029 175.800 -0.976 0.000 1.085 365 F CA -3.774 53.523 58.000 -1.171 0.000 1.028 365 F CB -0.172 37.756 39.000 -1.785 0.000 1.177 365 F HN -0.673 7.173 8.300 -0.600 0.094 0.487 366 P HA -0.210 nan 4.420 nan 0.000 0.217 366 P C 0.101 177.306 177.300 -0.157 0.000 1.148 366 P CA 2.458 65.405 63.100 -0.254 0.000 0.828 366 P CB 0.006 31.668 31.700 -0.063 0.000 0.783 367 W N -7.558 113.737 121.300 -0.008 0.000 3.047 367 W HA 0.109 nan 4.660 nan 0.000 0.250 367 W C -0.415 176.238 176.519 0.222 0.000 1.314 367 W CA 0.143 57.513 57.345 0.042 0.000 1.540 367 W CB -1.451 28.012 29.460 0.005 0.000 1.127 367 W HN -0.355 7.174 8.180 -1.036 0.029 0.679 368 E N -2.489 117.689 120.200 -0.037 0.000 2.479 368 E HA 0.133 nan 4.350 nan 0.000 0.193 368 E C 0.073 176.728 176.600 0.091 0.000 1.049 368 E CA -0.406 56.027 56.400 0.055 0.000 0.870 368 E CB 0.368 30.030 29.700 -0.064 0.000 0.944 368 E HN -0.172 7.794 8.360 -0.363 0.176 0.492 369 K N 0.518 121.016 120.400 0.162 0.000 2.270 369 K HA 0.087 nan 4.320 nan 0.000 0.276 369 K C -0.426 176.274 176.600 0.166 0.000 1.023 369 K CA 0.744 57.126 56.287 0.160 0.000 0.955 369 K CB 0.454 33.063 32.500 0.182 0.000 0.975 369 K HN -0.922 7.396 8.250 0.210 0.059 0.471 370 T N -0.758 113.838 114.554 0.070 0.000 3.275 370 T HA 0.396 nan 4.350 nan 0.000 0.265 370 T C 0.791 175.492 174.700 0.002 0.000 0.978 370 T CA -1.468 60.633 62.100 0.001 0.000 0.923 370 T CB -0.521 68.340 68.868 -0.013 0.000 1.126 370 T HN 0.311 8.584 8.240 0.056 0.000 0.538 371 D N 2.173 122.607 120.400 0.058 0.000 2.182 371 D HA -0.336 nan 4.640 nan 0.000 0.201 371 D C 0.967 177.278 176.300 0.018 0.000 0.986 371 D CA 2.598 56.635 54.000 0.061 0.000 0.847 371 D CB -1.155 39.723 40.800 0.130 0.000 0.942 371 D HN 0.261 8.627 8.370 0.122 0.077 0.467 372 K N -1.470 118.922 120.400 -0.012 0.000 2.444 372 K HA 0.090 nan 4.320 nan 0.000 0.193 372 K C 0.919 177.428 176.600 -0.150 0.000 1.024 372 K CA -0.391 55.846 56.287 -0.083 0.000 1.077 372 K CB -0.210 32.249 32.500 -0.068 0.000 0.833 372 K HN -0.637 7.699 8.250 -0.013 -0.094 0.517 373 A N 0.272 123.029 122.820 -0.105 0.000 1.869 373 A HA -0.425 nan 4.320 nan 0.000 0.218 373 A C 1.800 179.306 177.584 -0.130 0.000 1.203 373 A CA 3.592 55.565 52.037 -0.107 0.000 0.638 373 A CB -0.843 18.116 19.000 -0.068 0.000 0.831 373 A HN -0.168 7.806 8.150 -0.074 0.132 0.450 374 Q N -1.943 117.794 119.800 -0.106 0.000 2.084 374 Q HA -0.247 nan 4.340 nan 0.000 0.202 374 Q C 2.174 178.085 176.000 -0.148 0.000 0.978 374 Q CA 2.689 58.433 55.803 -0.098 0.000 0.844 374 Q CB -0.640 28.063 28.738 -0.058 0.000 0.898 374 Q HN 0.298 8.519 8.270 -0.082 0.000 0.426 375 L N -1.861 119.237 121.223 -0.208 0.000 2.083 375 L HA -0.304 nan 4.340 nan 0.000 0.209 375 L C 2.253 178.789 176.870 -0.557 0.000 1.083 375 L CA 2.684 57.359 54.840 -0.275 0.000 0.752 375 L CB -0.733 41.177 42.059 -0.247 0.000 0.899 375 L HN -0.747 7.364 8.230 -0.197 0.000 0.433 376 L N -1.772 119.042 121.223 -0.682 0.000 2.046 376 L HA -0.433 nan 4.340 nan 0.000 0.208 376 L C 2.321 179.048 176.870 -0.239 0.000 1.077 376 L CA 2.999 57.494 54.840 -0.576 0.000 0.747 376 L CB -0.640 41.200 42.059 -0.365 0.000 0.896 376 L HN -0.151 7.742 8.230 -0.560 0.001 0.432 377 R N -0.696 119.703 120.500 -0.170 0.000 2.083 377 R HA -0.457 nan 4.340 nan 0.000 0.237 377 R C 2.034 178.299 176.300 -0.058 0.000 1.137 377 R CA 3.467 59.514 56.100 -0.089 0.000 0.951 377 R CB -0.515 29.741 30.300 -0.073 0.000 0.851 377 R HN -0.173 7.895 8.270 -0.192 0.087 0.434 378 D N -0.685 119.680 120.400 -0.059 0.000 2.106 378 D HA -0.335 nan 4.640 nan 0.000 0.194 378 D C 2.355 178.665 176.300 0.017 0.000 0.988 378 D CA 3.106 57.097 54.000 -0.015 0.000 0.845 378 D CB -0.650 40.149 40.800 -0.001 0.000 0.990 378 D HN 0.057 8.374 8.370 -0.088 0.000 0.448 379 A N -1.381 121.472 122.820 0.055 0.000 2.024 379 A HA -0.198 nan 4.320 nan 0.000 0.220 379 A C 1.693 179.326 177.584 0.082 0.000 1.164 379 A CA 2.389 54.499 52.037 0.121 0.000 0.643 379 A CB -0.438 18.751 19.000 0.315 0.000 0.806 379 A HN -0.512 7.661 8.150 0.038 0.000 0.451 380 A N -2.382 120.463 122.820 0.041 0.000 3.033 380 A HA 0.026 nan 4.320 nan 0.000 0.250 380 A C -1.047 176.545 177.584 0.014 0.000 1.633 380 A CA -1.564 50.490 52.037 0.028 0.000 1.290 380 A CB -1.781 17.224 19.000 0.008 0.000 1.048 380 A HN -0.356 7.783 8.150 0.008 0.016 0.648 381 G N -0.358 108.453 108.800 0.019 0.000 2.331 381 G HA2 -0.412 nan 3.960 nan 0.000 0.254 381 G HA3 -0.412 nan 3.960 nan 0.000 0.254 381 G C -0.617 174.285 174.900 0.004 0.000 0.879 381 G CA 0.025 45.132 45.100 0.011 0.000 1.287 381 G HN -0.397 7.823 8.290 0.029 0.088 0.383 382 L N 2.314 123.538 121.223 0.003 0.000 2.667 382 L HA -0.296 nan 4.340 nan 0.000 0.296 382 L C -1.345 175.523 176.870 -0.004 0.000 1.252 382 L CA 1.864 56.702 54.840 -0.004 0.000 0.891 382 L CB 0.525 42.583 42.059 -0.001 0.000 1.141 382 L HN -0.477 7.757 8.230 0.008 0.000 0.501 383 K N 0.000 120.395 120.400 -0.008 0.000 2.780 383 K HA 0.000 nan 4.320 nan 0.000 0.191 383 K CA 0.000 56.283 56.287 -0.007 0.000 0.838 383 K CB 0.000 32.496 32.500 -0.006 0.000 1.064 383 K HN 0.000 8.243 8.250 -0.012 0.000 0.543