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 1cl2_1_A DATA FIRST_RESID 5 DATA SEQUENCE KLDTQLVNAG RSKKYTLGAV NSVIQRASSL VFDSVEAKKH ATRNRANGEL DATA SEQUENCE FYGRRGTLTH FSLQQAMCEL EGGAGCVLFP CGAAAVANSI LAFIEQGDHV DATA SEQUENCE LMTNTAYEPS QDFCSKILSK LGVTTSWFDP LIGADIVKHL QPNTKIVFLE DATA SEQUENCE SPGSITMEVH DVPAIVAAVR SVVPDAIIMI DNTWAAGVLF KALDFGIDVS DATA SEQUENCE IQAATKYLVG HSDAMIGTAV CNARCWEQLR ENAYLMGQMV DADTAYITSR DATA SEQUENCE GLRTLGVRLR QHHESSLKVA EWLAEHPQVA RVNHPALPGS KGHEFWKRDF DATA SEQUENCE TGSSGLFSFV LKKKLNNEEL ANYLDNFSLF SMAYSWGGYE SLILANQPEH DATA SEQUENCE IAAIRPQGEI DFSGTLIRLH IGLEDVDDLI ADLDAGFARI V 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 5 K HA 0.000 nan 4.320 nan 0.000 0.191 5 K C 0.000 176.606 176.600 0.010 0.000 0.988 5 K CA 0.000 56.291 56.287 0.007 0.000 0.838 5 K CB 0.000 32.502 32.500 0.003 0.000 1.064 6 L N 1.969 123.200 121.223 0.014 0.000 2.042 6 L HA -0.194 nan 4.340 nan 0.000 0.210 6 L C 0.323 177.205 176.870 0.020 0.000 1.076 6 L CA 2.867 57.719 54.840 0.019 0.000 0.749 6 L CB -0.945 41.130 42.059 0.026 0.000 0.893 6 L HN -0.019 8.220 8.230 0.015 0.000 0.432 7 D N -2.577 117.835 120.400 0.020 0.000 2.123 7 D HA -0.221 nan 4.640 nan 0.000 0.196 7 D C 2.542 178.853 176.300 0.017 0.000 0.992 7 D CA 3.795 57.807 54.000 0.020 0.000 0.833 7 D CB -0.971 39.839 40.800 0.018 0.000 0.954 7 D HN 0.422 8.804 8.370 0.020 0.000 0.455 8 T N 2.789 117.351 114.554 0.014 0.000 2.777 8 T HA -0.194 nan 4.350 nan 0.000 0.266 8 T C 2.151 176.859 174.700 0.013 0.000 1.040 8 T CA 3.610 65.717 62.100 0.012 0.000 1.141 8 T CB -0.363 68.511 68.868 0.010 0.000 0.868 8 T HN -0.181 7.964 8.240 0.013 0.103 0.444 9 Q N 1.932 121.740 119.800 0.013 0.000 2.020 9 Q HA -0.343 nan 4.340 nan 0.000 0.202 9 Q C 2.234 178.244 176.000 0.016 0.000 0.982 9 Q CA 3.652 59.463 55.803 0.013 0.000 0.838 9 Q CB -0.102 28.643 28.738 0.011 0.000 0.899 9 Q HN -0.158 8.039 8.270 0.013 0.080 0.423 10 L N -1.279 119.956 121.223 0.019 0.000 2.081 10 L HA -0.412 nan 4.340 nan 0.000 0.212 10 L C 2.276 179.156 176.870 0.017 0.000 1.080 10 L CA 3.355 58.207 54.840 0.021 0.000 0.754 10 L CB -0.335 41.740 42.059 0.028 0.000 0.893 10 L HN 0.397 8.639 8.230 0.020 0.000 0.433 11 V N -0.948 118.976 119.914 0.016 0.000 2.453 11 V HA -0.461 nan 4.120 nan 0.000 0.247 11 V C 1.781 177.884 176.094 0.014 0.000 1.048 11 V CA 4.657 66.965 62.300 0.013 0.000 1.049 11 V CB -0.734 31.097 31.823 0.014 0.000 0.672 11 V HN -0.209 7.984 8.190 0.017 0.008 0.457 12 N N -2.032 116.678 118.700 0.017 0.000 2.405 12 N HA 0.017 nan 4.740 nan 0.000 0.175 12 N C 0.088 175.616 175.510 0.030 0.000 1.051 12 N CA 0.924 53.987 53.050 0.022 0.000 0.899 12 N CB 0.699 39.198 38.487 0.020 0.000 1.000 12 N HN -0.433 7.864 8.380 0.016 0.093 0.451 13 A N -0.546 122.290 122.820 0.026 0.000 2.566 13 A HA -0.174 nan 4.320 nan 0.000 0.245 13 A C 0.217 177.829 177.584 0.047 0.000 1.056 13 A CA 1.690 53.746 52.037 0.033 0.000 0.757 13 A CB -0.669 18.344 19.000 0.022 0.000 0.979 13 A HN 0.179 8.341 8.150 0.021 0.000 0.508 14 G N 2.005 110.853 108.800 0.080 0.000 2.168 14 G HA2 -0.471 nan 3.960 nan 0.000 0.263 14 G HA3 -0.471 nan 3.960 nan 0.000 0.263 14 G C 0.078 175.102 174.900 0.207 0.000 0.977 14 G CA 1.034 46.214 45.100 0.134 0.000 0.659 14 G HN 0.344 8.680 8.290 0.077 0.000 0.533 15 R N 0.387 120.972 120.500 0.141 0.000 3.956 15 R HA 0.150 nan 4.340 nan 0.000 0.237 15 R C -0.813 175.554 176.300 0.112 0.000 1.552 15 R CA -1.214 54.966 56.100 0.134 0.000 1.529 15 R CB -0.434 29.909 30.300 0.072 0.000 1.376 15 R HN -0.372 7.898 8.270 0.096 0.058 0.733 16 S N 2.766 118.547 115.700 0.135 0.000 2.646 16 S HA 0.156 nan 4.470 nan 0.000 0.276 16 S C 0.022 174.590 174.600 -0.053 0.000 1.222 16 S CA -0.686 57.500 58.200 -0.024 0.000 1.014 16 S CB 1.835 64.924 63.200 -0.186 0.000 0.991 16 S HN -0.492 7.942 8.310 0.307 0.060 0.533 17 K N 3.468 123.827 120.400 -0.067 0.000 2.209 17 K HA -0.307 nan 4.320 nan 0.000 0.204 17 K C 1.998 178.554 176.600 -0.073 0.000 1.048 17 K CA 3.074 59.336 56.287 -0.041 0.000 0.940 17 K CB -0.101 32.380 32.500 -0.030 0.000 0.729 17 K HN 0.460 8.671 8.250 -0.065 0.000 0.451 18 K N -1.820 118.455 120.400 -0.209 0.000 2.152 18 K HA -0.169 nan 4.320 nan 0.000 0.206 18 K C 1.085 177.609 176.600 -0.128 0.000 1.048 18 K CA 2.336 58.469 56.287 -0.257 0.000 0.933 18 K CB -0.855 31.347 32.500 -0.496 0.000 0.721 18 K HN 0.281 8.351 8.250 -0.258 0.025 0.447 19 Y N -4.609 115.735 120.300 0.073 0.000 2.503 19 Y HA 0.078 nan 4.550 nan 0.000 0.277 19 Y C 1.934 177.868 175.900 0.057 0.000 1.102 19 Y CA 0.479 58.622 58.100 0.072 0.000 1.261 19 Y CB 0.980 39.488 38.460 0.080 0.000 1.096 19 Y HN -0.450 7.554 8.280 -0.220 0.144 0.546 20 T N -3.165 111.497 114.554 0.179 0.000 3.031 20 T HA 0.059 nan 4.350 nan 0.000 0.254 20 T C 1.157 175.906 174.700 0.081 0.000 1.060 20 T CA 1.353 63.526 62.100 0.123 0.000 1.135 20 T CB 1.010 69.935 68.868 0.094 0.000 0.896 20 T HN -0.156 8.077 8.240 0.134 0.086 0.472 21 L N -0.748 120.510 121.223 0.058 0.000 3.717 21 L HA -0.547 nan 4.340 nan 0.000 0.414 21 L C 0.282 177.170 176.870 0.031 0.000 1.228 21 L CA 0.544 55.407 54.840 0.038 0.000 0.918 21 L CB -2.390 39.694 42.059 0.041 0.000 1.865 21 L HN 0.236 8.383 8.230 0.052 0.114 0.922 22 G N -4.526 104.292 108.800 0.030 0.000 2.279 22 G HA2 -0.377 nan 3.960 nan 0.000 0.223 22 G HA3 -0.377 nan 3.960 nan 0.000 0.223 22 G C -0.179 174.739 174.900 0.031 0.000 1.015 22 G CA -0.543 44.572 45.100 0.025 0.000 0.621 22 G HN -0.340 7.957 8.290 0.032 0.012 0.506 23 A N 0.388 123.233 122.820 0.042 0.000 2.280 23 A HA 0.125 nan 4.320 nan 0.000 0.268 23 A C 0.750 178.366 177.584 0.053 0.000 1.111 23 A CA -0.442 51.624 52.037 0.048 0.000 0.814 23 A CB 1.181 20.218 19.000 0.062 0.000 1.093 23 A HN -0.535 7.468 8.150 0.046 0.175 0.498 24 V N -1.941 118.005 119.914 0.053 0.000 2.302 24 V HA -0.112 nan 4.120 nan 0.000 0.243 24 V C 0.365 176.492 176.094 0.054 0.000 1.036 24 V CA 2.086 64.413 62.300 0.045 0.000 1.020 24 V CB 0.172 32.016 31.823 0.035 0.000 0.657 24 V HN 0.154 8.376 8.190 0.054 0.000 0.453 25 N N -1.534 117.212 118.700 0.077 0.000 2.463 25 N HA 0.061 nan 4.740 nan 0.000 0.270 25 N C -1.173 174.430 175.510 0.155 0.000 1.205 25 N CA -0.132 52.967 53.050 0.081 0.000 0.974 25 N CB 1.643 40.187 38.487 0.094 0.000 1.197 25 N HN -0.227 8.206 8.380 0.089 0.000 0.504 26 S N -1.921 113.872 115.700 0.156 0.000 2.579 26 S HA 0.084 nan 4.470 nan 0.000 0.275 26 S C 0.844 175.587 174.600 0.239 0.000 1.345 26 S CA 0.101 58.416 58.200 0.191 0.000 1.031 26 S CB 0.903 64.184 63.200 0.136 0.000 0.892 26 S HN -0.222 8.124 8.310 0.060 0.000 0.529 27 V N -2.319 117.681 119.914 0.144 0.000 3.051 27 V HA 0.158 nan 4.120 nan 0.000 0.306 27 V C -0.552 175.548 176.094 0.009 0.000 1.083 27 V CA -0.776 61.560 62.300 0.060 0.000 1.104 27 V CB 0.361 32.205 31.823 0.035 0.000 1.027 27 V HN 0.490 8.768 8.190 0.147 0.000 0.483 28 I N 2.419 122.925 120.570 -0.107 0.000 2.291 28 I HA 0.063 nan 4.170 nan 0.000 0.290 28 I C -0.848 175.201 176.117 -0.113 0.000 1.050 28 I CA -0.271 60.934 61.300 -0.159 0.000 1.245 28 I CB -0.092 37.724 38.000 -0.306 0.000 1.405 28 I HN 0.009 8.136 8.210 -0.137 0.000 0.478 29 Q N 9.184 128.926 119.800 -0.097 0.000 2.466 29 Q HA 0.137 nan 4.340 nan 0.000 0.242 29 Q C -1.468 174.482 176.000 -0.083 0.000 1.046 29 Q CA -1.280 54.475 55.803 -0.081 0.000 0.841 29 Q CB 1.216 29.912 28.738 -0.069 0.000 1.193 29 Q HN 0.385 8.591 8.270 -0.107 0.000 0.508 30 R N 5.977 126.430 120.500 -0.078 0.000 2.234 30 R HA 0.027 nan 4.340 nan 0.000 0.324 30 R C -1.170 175.089 176.300 -0.069 0.000 1.054 30 R CA -0.124 55.935 56.100 -0.068 0.000 0.912 30 R CB 0.478 30.738 30.300 -0.067 0.000 1.030 30 R HN 0.271 8.494 8.270 -0.079 0.000 0.455 31 A N 4.292 127.065 122.820 -0.078 0.000 2.594 31 A HA 0.359 nan 4.320 nan 0.000 0.296 31 A C -1.744 175.740 177.584 -0.166 0.000 1.056 31 A CA -0.350 51.624 52.037 -0.105 0.000 0.693 31 A CB 1.780 20.715 19.000 -0.107 0.000 1.278 31 A HN 0.209 8.319 8.150 -0.066 0.000 0.408 32 S N -0.413 115.184 115.700 -0.171 0.000 2.942 32 S HA 0.084 nan 4.470 nan 0.000 0.220 32 S C 0.061 174.528 174.600 -0.221 0.000 0.945 32 S CA -0.003 58.023 58.200 -0.290 0.000 0.851 32 S CB 0.790 63.921 63.200 -0.114 0.000 0.820 32 S HN 0.174 8.417 8.310 -0.113 0.000 0.624 33 S N 3.283 118.964 115.700 -0.031 0.000 2.549 33 S HA 0.016 nan 4.470 nan 0.000 0.283 33 S C -1.000 173.537 174.600 -0.105 0.000 1.320 33 S CA 1.478 59.680 58.200 0.003 0.000 1.058 33 S CB 0.202 63.392 63.200 -0.017 0.000 0.882 33 S HN -0.147 8.146 8.310 -0.029 0.000 0.498 34 L N 6.041 127.152 121.223 -0.186 0.000 2.376 34 L HA 0.159 nan 4.340 nan 0.000 0.275 34 L C -0.989 175.527 176.870 -0.590 0.000 0.987 34 L CA -0.460 54.206 54.840 -0.289 0.000 0.828 34 L CB 2.376 44.303 42.059 -0.219 0.000 1.249 34 L HN 0.186 8.316 8.230 -0.167 0.000 0.409 35 V N 3.411 123.066 119.914 -0.432 0.000 2.583 35 V HA 0.021 nan 4.120 nan 0.000 0.287 35 V C 0.289 176.117 176.094 -0.443 0.000 1.051 35 V CA 0.161 62.205 62.300 -0.426 0.000 1.010 35 V CB 0.275 31.998 31.823 -0.166 0.000 0.988 35 V HN 0.080 8.110 8.190 -0.268 0.000 0.478 36 F N 3.543 123.512 119.950 0.031 0.000 2.427 36 F HA 0.198 nan 4.527 nan 0.000 0.346 36 F C 0.064 175.887 175.800 0.039 0.000 1.120 36 F CA -1.072 56.958 58.000 0.049 0.000 1.033 36 F CB 1.253 40.285 39.000 0.054 0.000 1.126 36 F HN -0.002 8.176 8.300 -0.203 0.000 0.462 37 D N 2.187 122.708 120.400 0.201 0.000 2.144 37 D HA -0.139 nan 4.640 nan 0.000 0.200 37 D C -0.044 176.326 176.300 0.116 0.000 0.978 37 D CA 1.880 55.953 54.000 0.121 0.000 0.833 37 D CB 0.383 41.237 40.800 0.089 0.000 0.961 37 D HN 0.586 9.088 8.370 0.220 0.000 0.470 38 S N -3.293 112.490 115.700 0.137 0.000 2.671 38 S HA 0.074 nan 4.470 nan 0.000 0.277 38 S C 0.713 175.361 174.600 0.079 0.000 1.165 38 S CA -0.932 57.324 58.200 0.093 0.000 0.822 38 S CB 3.002 66.239 63.200 0.062 0.000 1.150 38 S HN -0.600 7.800 8.310 0.180 0.017 0.479 39 V N 2.919 122.858 119.914 0.041 0.000 2.343 39 V HA -0.341 nan 4.120 nan 0.000 0.247 39 V C 1.989 178.080 176.094 -0.004 0.000 1.051 39 V CA 3.612 65.914 62.300 0.004 0.000 1.036 39 V CB -1.156 30.670 31.823 0.004 0.000 0.654 39 V HN 0.574 8.788 8.190 0.040 0.000 0.451 40 E N -0.648 119.563 120.200 0.019 0.000 2.051 40 E HA -0.275 nan 4.350 nan 0.000 0.192 40 E C 1.842 178.475 176.600 0.055 0.000 0.991 40 E CA 2.810 59.226 56.400 0.027 0.000 0.799 40 E CB -0.825 28.889 29.700 0.023 0.000 0.748 40 E HN 0.551 8.925 8.360 0.024 0.000 0.449 41 A N -0.186 122.679 122.820 0.076 0.000 1.902 41 A HA -0.348 nan 4.320 nan 0.000 0.217 41 A C 2.085 179.746 177.584 0.128 0.000 1.181 41 A CA 3.175 55.298 52.037 0.144 0.000 0.623 41 A CB -0.644 18.470 19.000 0.190 0.000 0.818 41 A HN -0.348 7.776 8.150 0.069 0.067 0.443 42 K N -1.061 119.304 120.400 -0.058 0.000 2.063 42 K HA -0.394 nan 4.320 nan 0.000 0.208 42 K C 2.073 178.509 176.600 -0.274 0.000 1.048 42 K CA 3.451 59.408 56.287 -0.550 0.000 0.928 42 K CB -0.086 32.007 32.500 -0.677 0.000 0.713 42 K HN 0.047 8.293 8.250 -0.007 0.000 0.442 43 K N -1.925 118.410 120.400 -0.107 0.000 2.026 43 K HA -0.304 nan 4.320 nan 0.000 0.208 43 K C 1.880 178.476 176.600 -0.007 0.000 1.048 43 K CA 2.782 59.038 56.287 -0.052 0.000 0.929 43 K CB -1.272 31.218 32.500 -0.017 0.000 0.713 43 K HN -0.029 8.173 8.250 -0.079 0.000 0.439 44 H N 0.726 119.780 119.070 -0.027 0.000 2.321 44 H HA -0.325 nan 4.556 nan 0.000 0.300 44 H C 2.026 177.369 175.328 0.025 0.000 1.087 44 H CA 3.915 59.965 56.048 0.003 0.000 1.319 44 H CB 0.697 30.478 29.762 0.032 0.000 1.379 44 H HN -0.049 8.322 8.280 0.152 0.000 0.501 45 A N -2.274 120.590 122.820 0.073 0.000 1.933 45 A HA -0.274 nan 4.320 nan 0.000 0.218 45 A C 1.367 178.948 177.584 -0.005 0.000 1.175 45 A CA 2.716 54.846 52.037 0.155 0.000 0.628 45 A CB -0.498 18.823 19.000 0.536 0.000 0.814 45 A HN -0.047 8.210 8.150 0.178 0.000 0.444 46 T N -0.175 114.337 114.554 -0.071 0.000 2.652 46 T HA -0.252 nan 4.350 nan 0.000 0.267 46 T C 2.619 177.080 174.700 -0.398 0.000 1.039 46 T CA 4.004 65.890 62.100 -0.356 0.000 1.153 46 T CB 0.029 68.806 68.868 -0.152 0.000 0.863 46 T HN -0.303 7.928 8.240 -0.016 0.000 0.428 47 R N 0.264 120.606 120.500 -0.263 0.000 2.120 47 R HA -0.205 nan 4.340 nan 0.000 0.234 47 R C 1.618 177.753 176.300 -0.274 0.000 1.123 47 R CA 2.541 58.496 56.100 -0.241 0.000 0.975 47 R CB -0.753 29.439 30.300 -0.180 0.000 0.866 47 R HN -0.236 7.912 8.270 -0.204 0.000 0.446 48 N N -2.319 116.191 118.700 -0.317 0.000 2.273 48 N HA 0.247 nan 4.740 nan 0.000 0.231 48 N C 0.788 176.160 175.510 -0.230 0.000 1.134 48 N CA -0.322 52.566 53.050 -0.269 0.000 0.856 48 N CB 1.058 39.357 38.487 -0.312 0.000 1.068 48 N HN -0.445 7.605 8.380 -0.339 0.127 0.510 49 R N 0.378 120.677 120.500 -0.335 0.000 2.159 49 R HA -0.213 nan 4.340 nan 0.000 0.237 49 R C -0.131 176.036 176.300 -0.222 0.000 1.131 49 R CA 2.976 58.867 56.100 -0.349 0.000 0.982 49 R CB -0.508 29.235 30.300 -0.928 0.000 0.868 49 R HN -0.533 7.316 8.270 -0.418 0.170 0.453 50 A N -4.886 117.783 122.820 -0.253 0.000 2.430 50 A HA 0.178 nan 4.320 nan 0.000 0.243 50 A C -1.037 176.466 177.584 -0.135 0.000 1.254 50 A CA -0.329 51.577 52.037 -0.218 0.000 0.914 50 A CB 0.609 19.422 19.000 -0.312 0.000 0.998 50 A HN -0.055 7.888 8.150 -0.280 0.039 0.515 51 N N -1.157 117.458 118.700 -0.142 0.000 2.610 51 N HA 0.170 nan 4.740 nan 0.000 0.309 51 N C 0.334 175.732 175.510 -0.187 0.000 1.536 51 N CA -0.325 52.668 53.050 -0.095 0.000 0.954 51 N CB -0.514 37.930 38.487 -0.072 0.000 1.310 51 N HN -0.451 7.628 8.380 -0.170 0.199 0.502 52 G N -0.903 107.651 108.800 -0.409 0.000 2.179 52 G HA2 -0.438 nan 3.960 nan 0.000 0.257 52 G HA3 -0.438 nan 3.960 nan 0.000 0.257 52 G C -0.515 174.127 174.900 -0.431 0.000 1.010 52 G CA 0.540 45.136 45.100 -0.840 0.000 0.736 52 G HN 0.221 8.223 8.290 -0.385 0.057 0.513 53 E N -0.024 120.106 120.200 -0.117 0.000 2.191 53 E HA 0.162 nan 4.350 nan 0.000 0.278 53 E C -0.423 176.404 176.600 0.378 0.000 0.972 53 E CA -1.696 54.796 56.400 0.153 0.000 0.804 53 E CB 1.756 31.508 29.700 0.088 0.000 1.110 53 E HN -0.693 7.557 8.360 -0.138 0.027 0.394 54 L N 3.777 125.277 121.223 0.462 0.000 2.534 54 L HA -0.140 nan 4.340 nan 0.000 0.271 54 L C -0.587 176.563 176.870 0.466 0.000 1.178 54 L CA 0.701 55.803 54.840 0.437 0.000 0.907 54 L CB 0.002 42.227 42.059 0.276 0.000 1.164 54 L HN 0.404 8.878 8.230 0.407 0.000 0.482 55 F N 6.143 126.267 119.950 0.289 0.000 2.334 55 F HA 0.192 nan 4.527 nan 0.000 0.269 55 F C -2.453 173.564 175.800 0.363 0.000 0.879 55 F CA 0.372 58.587 58.000 0.358 0.000 1.102 55 F CB 4.014 43.185 39.000 0.285 0.000 1.032 55 F HN 0.119 8.696 8.300 0.461 0.000 0.782 56 Y N -4.388 115.950 120.300 0.063 0.000 2.521 56 Y HA 0.066 nan 4.550 nan 0.000 0.328 56 Y C -0.055 175.881 175.900 0.059 0.000 1.151 56 Y CA -0.610 57.458 58.100 -0.053 0.000 1.054 56 Y CB 3.314 41.727 38.460 -0.079 0.000 1.338 56 Y HN -0.697 7.836 8.280 0.420 0.000 0.453 57 G N 4.757 113.086 108.800 -0.785 0.000 2.507 57 G HA2 -0.391 nan 3.960 nan 0.000 0.221 57 G HA3 -0.391 nan 3.960 nan 0.000 0.221 57 G C -0.410 174.229 174.900 -0.436 0.000 1.119 57 G CA 1.841 46.596 45.100 -0.576 0.000 0.751 57 G HN 0.644 8.244 8.290 -0.991 0.096 0.574 58 R N -1.052 119.187 120.500 -0.435 0.000 2.120 58 R HA -0.144 nan 4.340 nan 0.000 0.234 58 R C 1.007 177.427 176.300 0.200 0.000 1.123 58 R CA 2.116 58.208 56.100 -0.012 0.000 0.975 58 R CB -0.441 29.995 30.300 0.226 0.000 0.866 58 R HN -0.002 7.645 8.270 -1.001 0.022 0.446 59 R N -4.514 116.147 120.500 0.268 0.000 2.127 59 R HA -0.024 nan 4.340 nan 0.000 0.217 59 R C 0.166 176.518 176.300 0.087 0.000 1.074 59 R CA 0.446 56.684 56.100 0.231 0.000 0.991 59 R CB 1.030 31.491 30.300 0.269 0.000 0.895 59 R HN -0.314 7.989 8.270 0.253 0.119 0.450 60 G N -2.025 106.712 108.800 -0.106 0.000 2.362 60 G HA2 -0.192 nan 3.960 nan 0.000 0.656 60 G HA3 -0.192 nan 3.960 nan 0.000 0.656 60 G C -2.668 172.008 174.900 -0.373 0.000 1.376 60 G CA -0.598 44.261 45.100 -0.402 0.000 0.971 60 G HN -0.691 7.442 8.290 -0.096 0.100 0.636 61 T N -5.009 109.345 114.554 -0.335 0.000 2.841 61 T HA 0.820 nan 4.350 nan 0.000 0.276 61 T C 1.285 175.455 174.700 -0.883 0.000 1.003 61 T CA -2.891 58.932 62.100 -0.461 0.000 0.995 61 T CB 3.126 71.913 68.868 -0.135 0.000 1.260 61 T HN -0.222 8.172 8.240 0.257 0.000 0.581 62 L N -0.502 120.425 121.223 -0.493 0.000 2.089 62 L HA -0.432 nan 4.340 nan 0.000 0.213 62 L C 1.917 178.592 176.870 -0.325 0.000 1.079 62 L CA 4.066 58.755 54.840 -0.252 0.000 0.758 62 L CB -0.769 41.341 42.059 0.086 0.000 0.891 62 L HN 0.187 8.530 8.230 -0.273 -0.277 0.433 63 T N -0.090 114.303 114.554 -0.268 0.000 2.788 63 T HA -0.314 nan 4.350 nan 0.000 0.268 63 T C 2.250 176.754 174.700 -0.327 0.000 1.044 63 T CA 4.420 66.366 62.100 -0.257 0.000 1.139 63 T CB -0.657 68.057 68.868 -0.257 0.000 0.867 63 T HN -0.205 7.892 8.240 -0.226 0.007 0.454 64 H N 2.106 121.008 119.070 -0.279 0.000 2.363 64 H HA -0.169 nan 4.556 nan 0.000 0.301 64 H C 2.245 177.547 175.328 -0.043 0.000 1.074 64 H CA 3.690 59.646 56.048 -0.154 0.000 1.354 64 H CB -0.054 29.624 29.762 -0.140 0.000 1.397 64 H HN -0.509 7.458 8.280 -0.312 0.126 0.516 65 F N -0.726 119.175 119.950 -0.082 0.000 2.126 65 F HA -0.237 nan 4.527 nan 0.000 0.299 65 F C 2.439 177.951 175.800 -0.480 0.000 1.096 65 F CA 1.084 58.956 58.000 -0.213 0.000 1.255 65 F CB -1.586 37.312 39.000 -0.170 0.000 0.997 65 F HN -0.041 8.026 8.300 -0.389 0.000 0.479 66 S N -0.640 114.670 115.700 -0.651 0.000 2.356 66 S HA -0.301 nan 4.470 nan 0.000 0.223 66 S C 2.054 176.554 174.600 -0.166 0.000 1.032 66 S CA 3.661 61.513 58.200 -0.580 0.000 1.005 66 S CB -0.142 62.797 63.200 -0.436 0.000 0.867 66 S HN -0.203 7.708 8.310 -0.665 0.000 0.449 67 L N 1.178 122.331 121.223 -0.116 0.000 2.046 67 L HA -0.317 nan 4.340 nan 0.000 0.208 67 L C 1.326 178.197 176.870 0.002 0.000 1.077 67 L CA 2.925 57.739 54.840 -0.044 0.000 0.747 67 L CB -0.334 41.704 42.059 -0.035 0.000 0.896 67 L HN -0.798 7.342 8.230 -0.150 0.000 0.432 68 Q N -1.744 118.076 119.800 0.034 0.000 2.096 68 Q HA -0.510 nan 4.340 nan 0.000 0.204 68 Q C 2.291 178.298 176.000 0.011 0.000 0.982 68 Q CA 3.702 59.534 55.803 0.048 0.000 0.850 68 Q CB -0.327 28.473 28.738 0.104 0.000 0.901 68 Q HN 0.190 8.487 8.270 0.045 0.000 0.422 69 Q N -0.165 119.649 119.800 0.022 0.000 2.084 69 Q HA -0.360 nan 4.340 nan 0.000 0.202 69 Q C 2.115 178.128 176.000 0.022 0.000 0.978 69 Q CA 3.085 58.909 55.803 0.035 0.000 0.844 69 Q CB -0.129 28.683 28.738 0.123 0.000 0.898 69 Q HN -0.029 8.254 8.270 0.021 0.000 0.426 70 A N 0.028 122.861 122.820 0.022 0.000 1.877 70 A HA -0.314 nan 4.320 nan 0.000 0.216 70 A C 2.424 180.014 177.584 0.009 0.000 1.186 70 A CA 3.229 55.277 52.037 0.017 0.000 0.620 70 A CB -0.770 18.236 19.000 0.010 0.000 0.822 70 A HN -0.290 7.870 8.150 0.017 0.000 0.443 71 M N -2.477 117.128 119.600 0.008 0.000 2.117 71 M HA -0.291 nan 4.480 nan 0.000 0.262 71 M C 2.354 178.649 176.300 -0.010 0.000 1.065 71 M CA 2.008 57.315 55.300 0.011 0.000 1.114 71 M CB -1.397 31.219 32.600 0.026 0.000 1.361 71 M HN -0.094 8.202 8.290 0.010 0.000 0.408 72 C N -0.966 118.312 119.300 -0.036 0.000 2.429 72 C HA -0.349 nan 4.460 nan 0.000 0.277 72 C C 2.360 177.320 174.990 -0.050 0.000 1.262 72 C CA 4.153 63.128 59.018 -0.072 0.000 1.733 72 C CB -1.760 25.907 27.740 -0.123 0.000 2.010 72 C HN 0.151 8.362 8.230 -0.032 0.000 0.483 73 E N 0.272 120.455 120.200 -0.028 0.000 2.152 73 E HA -0.297 nan 4.350 nan 0.000 0.192 73 E C 1.454 178.045 176.600 -0.014 0.000 0.983 73 E CA 2.384 58.772 56.400 -0.020 0.000 0.818 73 E CB -0.595 29.101 29.700 -0.006 0.000 0.758 73 E HN -0.333 8.015 8.360 -0.019 0.000 0.467 74 L N -1.874 119.346 121.223 -0.005 0.000 2.072 74 L HA -0.155 nan 4.340 nan 0.000 0.205 74 L C 2.217 179.085 176.870 -0.002 0.000 1.079 74 L CA 2.148 56.990 54.840 0.003 0.000 0.752 74 L CB 0.332 42.401 42.059 0.018 0.000 0.906 74 L HN -0.182 8.047 8.230 -0.002 0.000 0.436 75 E N -4.431 115.765 120.200 -0.006 0.000 2.474 75 E HA 0.097 nan 4.350 nan 0.000 0.195 75 E C 0.677 177.257 176.600 -0.033 0.000 1.039 75 E CA -0.244 56.150 56.400 -0.010 0.000 0.881 75 E CB 0.819 30.525 29.700 0.011 0.000 0.970 75 E HN -0.082 8.274 8.360 -0.007 0.000 0.486 76 G N -0.145 108.630 108.800 -0.042 0.000 2.272 76 G HA2 -0.344 nan 3.960 nan 0.000 0.280 76 G HA3 -0.344 nan 3.960 nan 0.000 0.280 76 G C -0.596 174.265 174.900 -0.065 0.000 1.067 76 G CA 0.384 45.451 45.100 -0.055 0.000 0.902 76 G HN -0.131 8.089 8.290 -0.036 0.048 0.500 77 G N -3.198 105.553 108.800 -0.081 0.000 2.552 77 G HA2 0.379 nan 3.960 nan 0.000 0.324 77 G HA3 0.379 nan 3.960 nan 0.000 0.324 77 G C -1.236 173.555 174.900 -0.182 0.000 1.217 77 G CA -1.597 43.438 45.100 -0.109 0.000 0.989 77 G HN -0.708 7.534 8.290 -0.079 0.000 0.490 78 A N -0.691 121.989 122.820 -0.234 0.000 2.081 78 A HA 0.189 nan 4.320 nan 0.000 0.214 78 A C -0.445 176.611 177.584 -0.879 0.000 1.158 78 A CA 0.598 52.425 52.037 -0.351 0.000 0.724 78 A CB 1.008 19.917 19.000 -0.152 0.000 0.826 78 A HN 0.387 8.433 8.150 -0.173 0.000 0.463 79 G N -4.750 103.427 108.800 -1.038 0.000 2.623 79 G HA2 0.054 nan 3.960 nan 0.000 0.290 79 G HA3 0.054 nan 3.960 nan 0.000 0.290 79 G C -3.674 170.859 174.900 -0.612 0.000 1.437 79 G CA 0.200 44.373 45.100 -1.544 0.000 0.798 79 G HN -0.819 7.092 8.290 -0.631 0.000 0.488 80 C N 0.243 119.407 119.300 -0.225 0.000 2.535 80 C HA 0.847 nan 4.460 nan 0.000 0.319 80 C C -0.807 174.291 174.990 0.180 0.000 1.171 80 C CA -1.372 57.665 59.018 0.032 0.000 1.394 80 C CB 0.876 28.627 27.740 0.019 0.000 1.990 80 C HN -0.040 8.083 8.230 -0.177 0.000 0.466 81 V N 8.483 128.528 119.914 0.217 0.000 2.513 81 V HA 0.433 nan 4.120 nan 0.000 0.299 81 V C -1.765 174.297 176.094 -0.052 0.000 1.035 81 V CA -1.244 61.115 62.300 0.099 0.000 0.889 81 V CB 2.859 34.767 31.823 0.142 0.000 0.988 81 V HN 0.785 9.126 8.190 0.252 0.000 0.440 82 L N 2.956 124.024 121.223 -0.258 0.000 2.331 82 L HA 0.720 nan 4.340 nan 0.000 0.275 82 L C -0.751 175.792 176.870 -0.545 0.000 1.022 82 L CA -0.616 54.111 54.840 -0.188 0.000 0.812 82 L CB 1.904 43.965 42.059 0.003 0.000 1.257 82 L HN 0.060 8.146 8.230 -0.240 0.000 0.435 83 F N -0.285 119.709 119.950 0.073 0.000 2.650 83 F HA 0.489 nan 4.527 nan 0.000 0.320 83 F C -1.627 174.194 175.800 0.034 0.000 1.091 83 F CA -2.478 55.551 58.000 0.048 0.000 0.962 83 F CB 0.826 39.849 39.000 0.039 0.000 1.363 83 F HN 0.477 8.932 8.300 0.258 0.000 0.482 84 P HA -0.052 nan 4.420 nan 0.000 0.218 84 P C -1.633 175.721 177.300 0.089 0.000 1.149 84 P CA 2.100 65.267 63.100 0.113 0.000 0.817 84 P CB -0.085 31.668 31.700 0.087 0.000 0.785 85 C N -9.122 110.239 119.300 0.102 0.000 3.295 85 C HA 0.330 nan 4.460 nan 0.000 0.341 85 C C 0.933 175.934 174.990 0.018 0.000 1.418 85 C CA -2.946 56.095 59.018 0.038 0.000 1.240 85 C CB 3.510 31.253 27.740 0.005 0.000 1.562 85 C HN -0.722 7.580 8.230 0.153 0.021 0.457 86 G N -0.822 107.957 108.800 -0.034 0.000 2.418 86 G HA2 -0.386 nan 3.960 nan 0.000 0.217 86 G HA3 -0.386 nan 3.960 nan 0.000 0.217 86 G C 0.306 175.167 174.900 -0.065 0.000 1.158 86 G CA 2.626 47.692 45.100 -0.058 0.000 0.771 86 G HN 0.713 8.968 8.290 -0.059 0.000 0.545 87 A N 0.738 123.542 122.820 -0.028 0.000 1.978 87 A HA -0.198 nan 4.320 nan 0.000 0.220 87 A C 1.446 178.958 177.584 -0.120 0.000 1.170 87 A CA 2.625 54.657 52.037 -0.009 0.000 0.636 87 A CB -0.799 18.231 19.000 0.049 0.000 0.810 87 A HN 0.059 8.195 8.150 -0.023 0.000 0.448 88 A N -2.596 120.158 122.820 -0.110 0.000 1.970 88 A HA -0.156 nan 4.320 nan 0.000 0.216 88 A C 1.824 179.141 177.584 -0.444 0.000 1.170 88 A CA 2.320 54.272 52.037 -0.142 0.000 0.645 88 A CB -0.684 18.346 19.000 0.050 0.000 0.816 88 A HN -0.475 7.538 8.150 -0.053 0.106 0.447 89 A N -1.174 121.275 122.820 -0.619 0.000 1.933 89 A HA -0.254 nan 4.320 nan 0.000 0.218 89 A C 2.170 179.353 177.584 -0.669 0.000 1.175 89 A CA 3.107 54.379 52.037 -1.274 0.000 0.628 89 A CB -0.572 18.053 19.000 -0.625 0.000 0.814 89 A HN -0.374 7.491 8.150 -0.315 0.096 0.444 90 V N -0.728 118.993 119.914 -0.322 0.000 2.229 90 V HA -0.457 nan 4.120 nan 0.000 0.243 90 V C 1.814 177.701 176.094 -0.345 0.000 1.042 90 V CA 4.422 66.629 62.300 -0.154 0.000 1.000 90 V CB -1.037 30.760 31.823 -0.042 0.000 0.637 90 V HN 0.044 8.074 8.190 -0.267 0.000 0.446 91 A N -1.798 120.666 122.820 -0.593 0.000 1.892 91 A HA -0.456 nan 4.320 nan 0.000 0.218 91 A C 2.047 179.232 177.584 -0.666 0.000 1.188 91 A CA 3.451 54.772 52.037 -1.193 0.000 0.631 91 A CB -0.681 17.599 19.000 -1.199 0.000 0.822 91 A HN -0.086 7.780 8.150 -0.473 0.000 0.447 92 N N -2.808 115.677 118.700 -0.358 0.000 2.354 92 N HA -0.157 nan 4.740 nan 0.000 0.179 92 N C 2.515 178.036 175.510 0.017 0.000 1.021 92 N CA 3.043 56.038 53.050 -0.091 0.000 0.887 92 N CB -0.008 38.544 38.487 0.109 0.000 0.974 92 N HN -0.132 8.004 8.380 -0.407 0.000 0.437 93 S N 1.662 117.341 115.700 -0.034 0.000 2.368 93 S HA -0.245 nan 4.470 nan 0.000 0.224 93 S C 1.675 176.457 174.600 0.304 0.000 1.029 93 S CA 3.721 62.030 58.200 0.181 0.000 0.988 93 S CB -0.132 63.163 63.200 0.158 0.000 0.838 93 S HN -0.416 7.763 8.310 -0.220 0.000 0.462 94 I N 0.746 121.438 120.570 0.203 0.000 2.163 94 I HA -0.396 nan 4.170 nan 0.000 0.240 94 I C 1.872 178.164 176.117 0.292 0.000 1.081 94 I CA 3.682 65.153 61.300 0.284 0.000 1.353 94 I CB 0.242 38.402 38.000 0.266 0.000 1.054 94 I HN -0.343 7.905 8.210 0.062 0.000 0.407 95 L N 0.281 121.643 121.223 0.232 0.000 2.187 95 L HA -0.339 nan 4.340 nan 0.000 0.213 95 L C 1.256 178.185 176.870 0.098 0.000 1.100 95 L CA 2.729 57.692 54.840 0.205 0.000 0.765 95 L CB -0.104 42.075 42.059 0.200 0.000 0.904 95 L HN -0.236 8.086 8.230 0.154 0.000 0.437 96 A N -2.450 120.386 122.820 0.027 0.000 2.121 96 A HA -0.189 nan 4.320 nan 0.000 0.218 96 A C 0.643 177.964 177.584 -0.439 0.000 1.154 96 A CA 2.341 54.243 52.037 -0.224 0.000 0.679 96 A CB -0.058 18.726 19.000 -0.360 0.000 0.795 96 A HN -0.322 7.853 8.150 0.089 0.028 0.458 97 F N -5.487 114.520 119.950 0.095 0.000 2.727 97 F HA 0.144 nan 4.527 nan 0.000 0.302 97 F C -0.515 175.326 175.800 0.067 0.000 1.107 97 F CA 0.263 58.311 58.000 0.080 0.000 1.277 97 F CB 1.711 40.763 39.000 0.088 0.000 1.079 97 F HN -0.550 7.840 8.300 0.225 0.045 0.594 98 I N -4.310 116.389 120.570 0.214 0.000 2.764 98 I HA 0.077 nan 4.170 nan 0.000 0.294 98 I C -0.597 175.573 176.117 0.089 0.000 1.045 98 I CA -1.428 59.956 61.300 0.139 0.000 1.340 98 I CB 0.628 38.696 38.000 0.113 0.000 1.436 98 I HN -0.784 7.553 8.210 0.212 0.000 0.567 99 E N 0.784 121.025 120.200 0.068 0.000 2.390 99 E HA 0.173 nan 4.350 nan 0.000 0.277 99 E C -2.175 174.446 176.600 0.035 0.000 0.939 99 E CA -2.004 54.424 56.400 0.047 0.000 0.769 99 E CB 3.807 33.535 29.700 0.047 0.000 1.251 99 E HN -0.029 8.531 8.360 0.068 -0.160 0.450 100 Q N 1.895 121.709 119.800 0.024 0.000 2.304 100 Q HA -0.493 nan 4.340 nan 0.000 0.315 100 Q C 0.620 176.632 176.000 0.020 0.000 1.075 100 Q CA 2.250 58.062 55.803 0.016 0.000 0.988 100 Q CB -0.275 28.470 28.738 0.012 0.000 1.146 100 Q HN 0.248 8.532 8.270 0.023 0.000 0.383 101 G N 6.872 115.683 108.800 0.018 0.000 2.194 101 G HA2 -0.464 nan 3.960 nan 0.000 0.236 101 G HA3 -0.464 nan 3.960 nan 0.000 0.236 101 G C -0.684 174.238 174.900 0.037 0.000 0.987 101 G CA -0.450 44.664 45.100 0.022 0.000 0.635 101 G HN 0.904 9.083 8.290 0.013 0.118 0.520 102 D N 1.134 121.560 120.400 0.043 0.000 2.383 102 D HA 0.204 nan 4.640 nan 0.000 0.248 102 D C -1.810 174.543 176.300 0.088 0.000 1.170 102 D CA 0.380 54.418 54.000 0.063 0.000 0.977 102 D CB 1.252 42.087 40.800 0.058 0.000 1.120 102 D HN -0.379 7.950 8.370 0.035 0.062 0.481 103 H N -1.263 117.799 119.070 -0.014 0.000 2.538 103 H HA 0.664 nan 4.556 nan 0.000 0.353 103 H C -2.030 173.276 175.328 -0.036 0.000 1.109 103 H CA -1.004 55.021 56.048 -0.039 0.000 1.192 103 H CB 3.281 33.023 29.762 -0.034 0.000 1.555 103 H HN 0.299 8.661 8.280 0.136 0.000 0.518 104 V N 6.094 125.634 119.914 -0.622 0.000 2.448 104 V HA 0.473 nan 4.120 nan 0.000 0.295 104 V C -2.069 173.602 176.094 -0.706 0.000 1.025 104 V CA -1.139 60.867 62.300 -0.490 0.000 0.859 104 V CB 2.163 33.824 31.823 -0.269 0.000 0.988 104 V HN 0.812 8.680 8.190 -0.536 0.000 0.431 105 L N 8.375 129.343 121.223 -0.425 0.000 2.280 105 L HA 0.899 nan 4.340 nan 0.000 0.287 105 L C -2.619 174.319 176.870 0.112 0.000 1.023 105 L CA -1.049 53.686 54.840 -0.174 0.000 0.819 105 L CB 2.921 44.970 42.059 -0.017 0.000 1.212 105 L HN 0.582 8.660 8.230 -0.253 0.000 0.420 106 M N 7.623 127.272 119.600 0.082 0.000 2.464 106 M HA 0.595 nan 4.480 nan 0.000 0.308 106 M C -1.939 174.316 176.300 -0.074 0.000 1.127 106 M CA -1.708 53.699 55.300 0.178 0.000 0.913 106 M CB 4.453 37.117 32.600 0.106 0.000 1.689 106 M HN 0.483 8.716 8.290 -0.096 0.000 0.445 107 T N 4.639 118.940 114.554 -0.421 0.000 2.934 107 T HA -0.058 nan 4.350 nan 0.000 0.306 107 T C 1.584 176.166 174.700 -0.197 0.000 1.042 107 T CA 1.016 62.590 62.100 -0.875 0.000 1.145 107 T CB 0.595 69.228 68.868 -0.393 0.000 0.982 107 T HN 0.446 8.666 8.240 -0.034 0.000 0.544 108 N N 7.390 125.985 118.700 -0.174 0.000 2.571 108 N HA -0.092 nan 4.740 nan 0.000 0.189 108 N C 0.598 176.066 175.510 -0.070 0.000 1.154 108 N CA 1.665 54.682 53.050 -0.053 0.000 0.907 108 N CB -0.497 37.959 38.487 -0.051 0.000 0.977 108 N HN 0.370 8.474 8.380 -0.301 0.095 0.449 109 T N -6.350 108.179 114.554 -0.041 0.000 3.122 109 T HA 0.218 nan 4.350 nan 0.000 0.250 109 T C -0.227 174.499 174.700 0.043 0.000 1.067 109 T CA -1.602 60.489 62.100 -0.016 0.000 0.966 109 T CB -0.705 68.141 68.868 -0.036 0.000 1.002 109 T HN -0.796 7.330 8.240 -0.062 0.076 0.542 110 A N 2.260 125.134 122.820 0.091 0.000 2.466 110 A HA -0.077 nan 4.320 nan 0.000 0.238 110 A C -1.037 176.654 177.584 0.179 0.000 1.074 110 A CA 0.069 52.227 52.037 0.202 0.000 0.774 110 A CB 0.544 19.699 19.000 0.258 0.000 1.015 110 A HN -0.656 7.453 8.150 0.064 0.080 0.498 111 Y N 3.062 123.437 120.300 0.124 0.000 2.805 111 Y HA -0.277 nan 4.550 nan 0.000 0.331 111 Y C 0.816 176.742 175.900 0.044 0.000 1.241 111 Y CA -0.041 58.116 58.100 0.096 0.000 1.546 111 Y CB 1.258 39.799 38.460 0.135 0.000 1.248 111 Y HN 0.025 8.900 8.280 0.428 -0.337 0.559 112 E N 8.528 128.500 120.200 -0.381 0.000 2.086 112 E HA -0.433 nan 4.350 nan 0.000 0.205 112 E C -0.426 175.928 176.600 -0.409 0.000 1.027 112 E CA 4.967 61.142 56.400 -0.376 0.000 0.830 112 E CB -1.373 28.136 29.700 -0.318 0.000 0.751 112 E HN 0.618 8.825 8.360 -0.255 0.000 0.456 113 P HA -0.154 nan 4.420 nan 0.000 0.219 113 P C 1.874 179.107 177.300 -0.111 0.000 1.146 113 P CA 2.650 65.547 63.100 -0.338 0.000 0.808 113 P CB -0.459 31.026 31.700 -0.359 0.000 0.779 114 S N -1.831 113.818 115.700 -0.085 0.000 2.383 114 S HA -0.241 nan 4.470 nan 0.000 0.227 114 S C 2.228 176.869 174.600 0.068 0.000 1.026 114 S CA 3.706 61.911 58.200 0.008 0.000 0.981 114 S CB -0.368 62.821 63.200 -0.018 0.000 0.818 114 S HN 0.057 8.144 8.310 -0.174 0.119 0.472 115 Q N 1.866 121.688 119.800 0.038 0.000 2.049 115 Q HA -0.252 nan 4.340 nan 0.000 0.198 115 Q C 2.175 178.246 176.000 0.119 0.000 0.971 115 Q CA 3.164 59.038 55.803 0.119 0.000 0.833 115 Q CB -0.009 28.612 28.738 -0.195 0.000 0.896 115 Q HN -0.581 7.544 8.270 -0.052 0.114 0.434 116 D N 0.326 120.729 120.400 0.005 0.000 2.149 116 D HA -0.274 nan 4.640 nan 0.000 0.198 116 D C 2.164 178.497 176.300 0.055 0.000 0.990 116 D CA 3.292 57.295 54.000 0.005 0.000 0.839 116 D CB -0.485 40.290 40.800 -0.041 0.000 0.948 116 D HN -0.099 8.234 8.370 -0.061 0.000 0.460 117 F N 0.747 120.677 119.950 -0.032 0.000 2.095 117 F HA -0.372 nan 4.527 nan 0.000 0.298 117 F C 1.607 177.405 175.800 -0.003 0.000 1.104 117 F CA 3.655 61.639 58.000 -0.027 0.000 1.232 117 F CB -0.072 38.899 39.000 -0.049 0.000 0.987 117 F HN -0.090 8.335 8.300 0.208 0.000 0.475 118 C N -1.206 117.975 119.300 -0.198 0.000 2.436 118 C HA -0.411 nan 4.460 nan 0.000 0.277 118 C C 1.978 176.870 174.990 -0.164 0.000 1.241 118 C CA 3.971 62.827 59.018 -0.271 0.000 1.721 118 C CB -1.535 26.176 27.740 -0.049 0.000 2.043 118 C HN -0.445 7.775 8.230 0.105 0.073 0.472 119 S N -1.644 114.075 115.700 0.030 0.000 2.489 119 S HA -0.248 nan 4.470 nan 0.000 0.228 119 S C 1.930 176.515 174.600 -0.026 0.000 0.995 119 S CA 3.668 61.901 58.200 0.056 0.000 0.934 119 S CB -0.536 62.762 63.200 0.163 0.000 0.771 119 S HN 0.128 8.513 8.310 0.124 0.000 0.522 120 K N 1.015 121.371 120.400 -0.075 0.000 2.329 120 K HA 0.077 nan 4.320 nan 0.000 0.198 120 K C 1.494 178.030 176.600 -0.107 0.000 1.085 120 K CA 2.170 58.416 56.287 -0.069 0.000 0.961 120 K CB 1.049 33.526 32.500 -0.037 0.000 0.971 120 K HN -0.249 7.909 8.250 -0.097 0.034 0.502 121 I N -1.514 118.928 120.570 -0.214 0.000 2.681 121 I HA -0.063 nan 4.170 nan 0.000 0.247 121 I C 1.884 177.836 176.117 -0.274 0.000 1.091 121 I CA 0.799 61.962 61.300 -0.228 0.000 1.442 121 I CB 0.442 38.288 38.000 -0.257 0.000 1.219 121 I HN -0.136 7.788 8.210 -0.301 0.105 0.451 122 L N -0.590 120.352 121.223 -0.468 0.000 2.042 122 L HA -0.400 nan 4.340 nan 0.000 0.210 122 L C 2.552 179.317 176.870 -0.174 0.000 1.076 122 L CA 3.511 58.153 54.840 -0.331 0.000 0.749 122 L CB -0.809 41.011 42.059 -0.399 0.000 0.893 122 L HN -0.397 7.401 8.230 -0.719 0.000 0.432 123 S N -1.150 114.460 115.700 -0.149 0.000 2.374 123 S HA -0.364 nan 4.470 nan 0.000 0.227 123 S C 1.628 176.193 174.600 -0.058 0.000 1.037 123 S CA 3.022 61.173 58.200 -0.081 0.000 1.024 123 S CB -0.482 62.686 63.200 -0.052 0.000 0.861 123 S HN -0.147 8.055 8.310 -0.180 0.000 0.456 124 K N 0.869 121.232 120.400 -0.062 0.000 2.555 124 K HA -0.069 nan 4.320 nan 0.000 0.193 124 K C 0.326 176.906 176.600 -0.034 0.000 1.032 124 K CA 1.809 58.072 56.287 -0.040 0.000 1.004 124 K CB -0.392 32.088 32.500 -0.034 0.000 0.804 124 K HN -0.583 7.618 8.250 -0.081 0.000 0.496 125 L N -2.108 119.089 121.223 -0.044 0.000 2.910 125 L HA 0.225 nan 4.340 nan 0.000 0.252 125 L C -0.123 176.734 176.870 -0.021 0.000 1.195 125 L CA -0.839 53.984 54.840 -0.028 0.000 1.003 125 L CB -0.167 41.874 42.059 -0.029 0.000 1.328 125 L HN -0.425 7.562 8.230 -0.064 0.204 0.540 126 G N -1.633 107.153 108.800 -0.023 0.000 2.176 126 G HA2 -0.337 nan 3.960 nan 0.000 0.252 126 G HA3 -0.337 nan 3.960 nan 0.000 0.252 126 G C -1.229 173.663 174.900 -0.013 0.000 1.024 126 G CA 0.575 45.667 45.100 -0.014 0.000 0.755 126 G HN -0.482 7.718 8.290 -0.028 0.073 0.507 127 V N 0.270 120.166 119.914 -0.030 0.000 2.555 127 V HA 0.629 nan 4.120 nan 0.000 0.302 127 V C -0.688 175.380 176.094 -0.042 0.000 1.038 127 V CA -1.329 60.953 62.300 -0.031 0.000 0.887 127 V CB 1.864 33.657 31.823 -0.051 0.000 0.991 127 V HN -0.760 7.381 8.190 -0.046 0.022 0.434 128 T N 4.629 119.176 114.554 -0.011 0.000 2.925 128 T HA 0.468 nan 4.350 nan 0.000 0.285 128 T C -1.339 173.327 174.700 -0.056 0.000 1.021 128 T CA -2.315 59.781 62.100 -0.007 0.000 1.042 128 T CB 2.311 71.207 68.868 0.047 0.000 1.037 128 T HN 0.299 8.552 8.240 0.021 0.000 0.481 129 T N 3.268 117.722 114.554 -0.166 0.000 2.861 129 T HA 0.726 nan 4.350 nan 0.000 0.287 129 T C -1.505 172.857 174.700 -0.563 0.000 1.003 129 T CA -0.560 61.269 62.100 -0.452 0.000 0.977 129 T CB 1.993 70.451 68.868 -0.683 0.000 0.996 129 T HN 0.002 8.160 8.240 -0.137 0.000 0.448 130 S N 3.179 118.530 115.700 -0.582 0.000 2.599 130 S HA 0.665 nan 4.470 nan 0.000 0.294 130 S C -1.617 172.560 174.600 -0.705 0.000 1.094 130 S CA -1.816 56.091 58.200 -0.489 0.000 0.931 130 S CB 2.958 66.197 63.200 0.065 0.000 1.093 130 S HN 0.502 8.471 8.310 -0.568 0.000 0.488 131 W N -1.155 120.173 121.300 0.046 0.000 2.719 131 W HA 0.693 nan 4.660 nan 0.000 0.352 131 W C -0.916 175.575 176.519 -0.048 0.000 1.085 131 W CA -0.988 56.350 57.345 -0.012 0.000 1.187 131 W CB 2.605 32.031 29.460 -0.057 0.000 1.417 131 W HN -0.097 8.435 8.180 0.066 -0.311 0.557 132 F N -3.102 116.867 119.950 0.031 0.000 2.599 132 F HA 0.427 nan 4.527 nan 0.000 0.311 132 F C -2.043 173.772 175.800 0.025 0.000 1.076 132 F CA -2.171 55.740 58.000 -0.147 0.000 0.937 132 F CB 3.706 42.531 39.000 -0.292 0.000 1.282 132 F HN 0.262 8.495 8.300 -0.110 0.000 0.460 133 D N 1.779 122.324 120.400 0.242 0.000 2.425 133 D HA 0.091 nan 4.640 nan 0.000 0.247 133 D C -0.055 176.410 176.300 0.274 0.000 1.147 133 D CA -1.813 52.300 54.000 0.188 0.000 0.879 133 D CB 1.470 42.389 40.800 0.197 0.000 1.179 133 D HN 0.429 8.970 8.370 0.284 0.000 0.456 134 P HA -0.148 nan 4.420 nan 0.000 0.216 134 P C 0.555 178.085 177.300 0.383 0.000 1.150 134 P CA 2.077 65.382 63.100 0.343 0.000 0.843 134 P CB 0.296 32.090 31.700 0.155 0.000 0.787 135 L N -5.713 115.659 121.223 0.248 0.000 2.629 135 L HA 0.073 nan 4.340 nan 0.000 0.230 135 L C 0.789 177.760 176.870 0.169 0.000 1.151 135 L CA -0.196 54.768 54.840 0.206 0.000 0.924 135 L CB -0.839 41.337 42.059 0.195 0.000 1.137 135 L HN -0.474 8.103 8.230 0.210 -0.221 0.457 136 I N -1.283 119.404 120.570 0.195 0.000 2.335 136 I HA -0.356 nan 4.170 nan 0.000 0.251 136 I C 0.716 176.871 176.117 0.063 0.000 1.129 136 I CA 1.670 63.062 61.300 0.153 0.000 1.402 136 I CB 0.739 38.867 38.000 0.213 0.000 1.069 136 I HN -0.261 7.944 8.210 0.270 0.167 0.424 137 G N -3.381 105.424 108.800 0.008 0.000 2.574 137 G HA2 -0.481 nan 3.960 nan 0.000 0.286 137 G HA3 -0.481 nan 3.960 nan 0.000 0.286 137 G C 0.290 175.152 174.900 -0.064 0.000 1.212 137 G CA 0.797 45.863 45.100 -0.057 0.000 0.979 137 G HN -0.378 7.913 8.290 0.026 0.015 0.557 138 A N 2.417 125.212 122.820 -0.042 0.000 2.178 138 A HA -0.127 nan 4.320 nan 0.000 0.218 138 A C 1.340 178.900 177.584 -0.040 0.000 1.157 138 A CA 2.178 54.191 52.037 -0.041 0.000 0.689 138 A CB -0.246 18.743 19.000 -0.019 0.000 0.787 138 A HN 0.521 8.656 8.150 -0.026 0.000 0.465 139 D N -1.186 119.199 120.400 -0.024 0.000 2.363 139 D HA -0.069 nan 4.640 nan 0.000 0.226 139 D C 1.433 177.707 176.300 -0.043 0.000 1.020 139 D CA 1.452 55.437 54.000 -0.025 0.000 0.892 139 D CB -0.713 40.090 40.800 0.004 0.000 0.900 139 D HN -0.579 7.735 8.370 -0.009 0.052 0.531 140 I N 0.695 121.224 120.570 -0.069 0.000 2.700 140 I HA -0.338 nan 4.170 nan 0.000 0.261 140 I C 1.196 177.261 176.117 -0.088 0.000 1.219 140 I CA 2.324 63.562 61.300 -0.104 0.000 1.463 140 I CB 0.019 37.829 38.000 -0.318 0.000 1.092 140 I HN -0.479 7.600 8.210 -0.084 0.081 0.452 141 V N -3.406 116.456 119.914 -0.088 0.000 2.688 141 V HA -0.395 nan 4.120 nan 0.000 0.256 141 V C 1.842 177.876 176.094 -0.100 0.000 1.084 141 V CA 2.875 65.128 62.300 -0.077 0.000 1.103 141 V CB -1.354 30.432 31.823 -0.061 0.000 0.688 141 V HN -0.592 7.500 8.190 -0.080 0.050 0.480 142 K N -0.677 119.622 120.400 -0.169 0.000 2.442 142 K HA -0.204 nan 4.320 nan 0.000 0.198 142 K C 1.350 177.737 176.600 -0.355 0.000 1.042 142 K CA 2.380 58.504 56.287 -0.272 0.000 0.958 142 K CB -0.272 32.002 32.500 -0.376 0.000 0.766 142 K HN -0.034 7.981 8.250 -0.158 0.140 0.474 143 H N -4.400 114.650 119.070 -0.033 0.000 2.705 143 H HA 0.085 nan 4.556 nan 0.000 0.269 143 H C -0.866 174.467 175.328 0.008 0.000 0.998 143 H CA -0.033 56.013 56.048 -0.004 0.000 1.193 143 H CB 1.205 30.979 29.762 0.019 0.000 1.485 143 H HN -0.253 7.780 8.280 -0.104 0.184 0.521 144 L N 0.181 121.438 121.223 0.057 0.000 2.380 144 L HA -0.123 nan 4.340 nan 0.000 0.273 144 L C -0.245 176.628 176.870 0.004 0.000 1.138 144 L CA 0.526 55.396 54.840 0.050 0.000 0.832 144 L CB 0.418 42.480 42.059 0.005 0.000 1.124 144 L HN -0.689 7.426 8.230 0.000 0.116 0.454 145 Q N 2.875 122.683 119.800 0.013 0.000 2.416 145 Q HA 0.402 nan 4.340 nan 0.000 0.279 145 Q C -1.431 174.569 176.000 -0.001 0.000 1.101 145 Q CA -3.173 52.598 55.803 -0.053 0.000 0.830 145 Q CB 1.047 29.667 28.738 -0.197 0.000 1.402 145 Q HN -0.014 8.316 8.270 0.100 0.000 0.445 146 P HA -0.090 nan 4.420 nan 0.000 0.220 146 P C -0.938 176.375 177.300 0.022 0.000 1.148 146 P CA 1.891 64.993 63.100 0.003 0.000 0.803 146 P CB 0.028 31.724 31.700 -0.007 0.000 0.782 147 N N -5.835 112.882 118.700 0.029 0.000 2.276 147 N HA 0.000 nan 4.740 nan 0.000 0.212 147 N C -1.031 174.549 175.510 0.115 0.000 1.127 147 N CA -0.672 52.412 53.050 0.057 0.000 0.834 147 N CB -1.243 37.272 38.487 0.046 0.000 1.014 147 N HN -0.030 8.330 8.380 0.006 0.024 0.491 148 T N 2.892 117.529 114.554 0.140 0.000 2.751 148 T HA -0.006 nan 4.350 nan 0.000 0.290 148 T C -0.371 174.373 174.700 0.074 0.000 0.919 148 T CA 1.970 64.181 62.100 0.184 0.000 1.136 148 T CB -0.026 68.969 68.868 0.211 0.000 0.875 148 T HN -0.484 7.643 8.240 0.100 0.174 0.532 149 K N 8.563 128.990 120.400 0.045 0.000 2.244 149 K HA 0.162 nan 4.320 nan 0.000 0.200 149 K C -1.218 175.390 176.600 0.014 0.000 1.052 149 K CA 0.242 56.552 56.287 0.039 0.000 0.980 149 K CB 1.978 34.518 32.500 0.067 0.000 0.838 149 K HN 0.622 8.890 8.250 0.030 0.000 0.481 150 I N -2.600 117.970 120.570 -0.001 0.000 2.533 150 I HA 0.447 nan 4.170 nan 0.000 0.290 150 I C -2.075 174.055 176.117 0.023 0.000 1.056 150 I CA -0.974 60.336 61.300 0.017 0.000 1.057 150 I CB 3.916 41.962 38.000 0.076 0.000 1.240 150 I HN -0.772 7.419 8.210 -0.032 0.000 0.423 151 V N 6.336 126.282 119.914 0.055 0.000 2.350 151 V HA 0.594 nan 4.120 nan 0.000 0.285 151 V C -1.906 174.305 176.094 0.195 0.000 1.014 151 V CA -1.405 60.955 62.300 0.099 0.000 0.831 151 V CB 1.115 32.949 31.823 0.018 0.000 1.000 151 V HN 0.570 8.780 8.190 0.033 0.000 0.433 152 F N 9.217 129.244 119.950 0.129 0.000 2.361 152 F HA 0.736 nan 4.527 nan 0.000 0.364 152 F C -2.282 173.632 175.800 0.189 0.000 1.117 152 F CA -1.784 56.298 58.000 0.137 0.000 1.071 152 F CB 2.294 41.362 39.000 0.113 0.000 1.188 152 F HN 0.758 9.300 8.300 0.403 0.000 0.464 153 L N 6.025 127.178 121.223 -0.117 0.000 2.352 153 L HA 0.722 nan 4.340 nan 0.000 0.269 153 L C -1.812 175.033 176.870 -0.041 0.000 1.034 153 L CA -1.155 53.725 54.840 0.067 0.000 0.806 153 L CB 1.999 44.102 42.059 0.074 0.000 1.244 153 L HN 1.030 8.937 8.230 -0.362 0.106 0.447 154 E N 0.588 120.904 120.200 0.194 0.000 2.404 154 E HA 0.189 nan 4.350 nan 0.000 0.298 154 E C -2.221 174.272 176.600 -0.179 0.000 0.908 154 E CA -0.192 56.232 56.400 0.040 0.000 0.808 154 E CB 2.483 32.274 29.700 0.151 0.000 1.380 154 E HN -0.105 8.585 8.360 0.550 0.000 0.392 155 S N 5.903 121.490 115.700 -0.190 0.000 2.672 155 S HA 0.420 nan 4.470 nan 0.000 0.291 155 S C -2.368 172.127 174.600 -0.175 0.000 1.145 155 S CA -3.009 54.994 58.200 -0.328 0.000 1.013 155 S CB 1.876 64.872 63.200 -0.339 0.000 1.017 155 S HN -0.020 8.244 8.310 -0.076 0.000 0.487 156 P HA 0.104 nan 4.420 nan 0.000 0.272 156 P C -1.007 176.067 177.300 -0.377 0.000 1.230 156 P CA -0.475 62.279 63.100 -0.577 0.000 0.788 156 P CB 0.806 31.885 31.700 -1.035 0.000 0.949 157 G N -0.921 107.684 108.800 -0.325 0.000 2.539 157 G HA2 0.056 nan 3.960 nan 0.000 0.258 157 G HA3 0.056 nan 3.960 nan 0.000 0.258 157 G C -0.294 174.532 174.900 -0.124 0.000 1.202 157 G CA -0.771 44.219 45.100 -0.182 0.000 0.851 157 G HN -0.049 7.928 8.290 -0.351 0.102 0.556 158 S N 2.680 118.377 115.700 -0.005 0.000 2.560 158 S HA -0.031 nan 4.470 nan 0.000 0.284 158 S C 0.982 175.576 174.600 -0.011 0.000 1.327 158 S CA 1.479 59.706 58.200 0.046 0.000 1.055 158 S CB 0.265 63.587 63.200 0.203 0.000 0.868 158 S HN -0.333 8.002 8.310 0.041 0.000 0.506 159 I N -0.754 119.789 120.570 -0.046 0.000 4.608 159 I HA -0.605 nan 4.170 nan 0.000 0.051 159 I C 0.687 176.731 176.117 -0.123 0.000 0.619 159 I CA 3.063 64.319 61.300 -0.074 0.000 0.844 159 I CB -1.445 36.548 38.000 -0.011 0.000 0.772 159 I HN 0.685 8.857 8.210 -0.065 0.000 0.161 160 T N -5.794 108.702 114.554 -0.097 0.000 3.081 160 T HA -0.026 nan 4.350 nan 0.000 0.255 160 T C 0.877 175.495 174.700 -0.137 0.000 1.113 160 T CA 0.684 62.717 62.100 -0.111 0.000 1.082 160 T CB 0.579 69.427 68.868 -0.034 0.000 0.939 160 T HN 0.198 8.346 8.240 -0.060 0.056 0.506 161 M N -3.963 115.526 119.600 -0.184 0.000 2.872 161 M HA -0.397 nan 4.480 nan 0.000 0.200 161 M C -0.777 175.358 176.300 -0.275 0.000 0.582 161 M CA -0.012 55.118 55.300 -0.282 0.000 0.706 161 M CB -2.844 29.581 32.600 -0.291 0.000 2.560 161 M HN -0.453 7.698 8.290 -0.172 0.036 0.476 162 E N -1.830 118.253 120.200 -0.194 0.000 2.384 162 E HA -0.048 nan 4.350 nan 0.000 0.266 162 E C -0.330 176.132 176.600 -0.229 0.000 1.012 162 E CA 0.628 56.941 56.400 -0.145 0.000 0.901 162 E CB 0.563 30.225 29.700 -0.065 0.000 0.967 162 E HN -0.252 8.009 8.360 -0.165 0.000 0.435 163 V N 4.571 124.406 119.914 -0.131 0.000 2.427 163 V HA 0.121 nan 4.120 nan 0.000 0.286 163 V C -0.454 175.653 176.094 0.022 0.000 1.034 163 V CA -1.214 61.010 62.300 -0.126 0.000 0.893 163 V CB 0.628 32.434 31.823 -0.027 0.000 0.982 163 V HN -0.352 7.817 8.190 -0.035 0.000 0.452 164 H N 5.816 124.867 119.070 -0.033 0.000 2.603 164 H HA 0.199 nan 4.556 nan 0.000 0.370 164 H C -0.379 174.757 175.328 -0.319 0.000 1.225 164 H CA -1.057 54.922 56.048 -0.115 0.000 1.410 164 H CB 1.321 31.027 29.762 -0.094 0.000 1.495 164 H HN -0.051 8.078 8.280 -0.253 0.000 0.602 165 D N 1.365 121.505 120.400 -0.433 0.000 2.540 165 D HA 0.067 nan 4.640 nan 0.000 0.251 165 D C 0.445 176.572 176.300 -0.289 0.000 1.159 165 D CA -1.907 51.615 54.000 -0.796 0.000 0.974 165 D CB -0.812 39.276 40.800 -1.188 0.000 0.996 165 D HN 0.311 8.507 8.370 -0.291 0.000 0.512 166 V N 4.071 123.889 119.914 -0.159 0.000 2.278 166 V HA -0.345 nan 4.120 nan 0.000 0.251 166 V C -0.620 175.475 176.094 0.001 0.000 1.062 166 V CA 5.871 68.129 62.300 -0.070 0.000 1.038 166 V CB -2.337 29.446 31.823 -0.068 0.000 0.646 166 V HN -0.364 7.691 8.190 -0.174 0.031 0.447 167 P HA -0.209 nan 4.420 nan 0.000 0.215 167 P C 0.986 178.313 177.300 0.045 0.000 1.153 167 P CA 3.369 66.551 63.100 0.137 0.000 0.853 167 P CB -0.754 31.072 31.700 0.210 0.000 0.788 168 A N -2.692 120.118 122.820 -0.016 0.000 1.898 168 A HA -0.200 nan 4.320 nan 0.000 0.216 168 A C 2.166 179.716 177.584 -0.056 0.000 1.181 168 A CA 2.905 54.921 52.037 -0.035 0.000 0.620 168 A CB -0.611 18.348 19.000 -0.067 0.000 0.819 168 A HN -0.763 7.541 8.150 -0.053 -0.187 0.442 169 I N -1.167 119.350 120.570 -0.089 0.000 2.179 169 I HA -0.542 nan 4.170 nan 0.000 0.242 169 I C 1.817 177.887 176.117 -0.079 0.000 1.088 169 I CA 4.482 65.711 61.300 -0.118 0.000 1.357 169 I CB -0.013 37.888 38.000 -0.164 0.000 1.051 169 I HN -0.400 7.747 8.210 -0.104 0.000 0.409 170 V N -0.762 119.133 119.914 -0.032 0.000 2.407 170 V HA -0.477 nan 4.120 nan 0.000 0.248 170 V C 1.698 177.787 176.094 -0.008 0.000 1.055 170 V CA 4.535 66.831 62.300 -0.006 0.000 1.049 170 V CB -1.262 30.588 31.823 0.046 0.000 0.662 170 V HN 0.345 8.524 8.190 -0.018 0.000 0.455 171 A N -1.276 121.543 122.820 -0.002 0.000 1.873 171 A HA -0.329 nan 4.320 nan 0.000 0.215 171 A C 1.727 179.300 177.584 -0.018 0.000 1.186 171 A CA 3.368 55.403 52.037 -0.003 0.000 0.616 171 A CB -0.838 18.165 19.000 0.005 0.000 0.823 171 A HN -0.264 7.888 8.150 0.003 0.000 0.442 172 A N -2.095 120.706 122.820 -0.032 0.000 1.908 172 A HA -0.312 nan 4.320 nan 0.000 0.218 172 A C 2.198 179.754 177.584 -0.046 0.000 1.181 172 A CA 3.154 55.165 52.037 -0.043 0.000 0.627 172 A CB -0.577 18.386 19.000 -0.062 0.000 0.818 172 A HN -0.391 7.738 8.150 -0.036 0.000 0.445 173 V N -1.109 118.773 119.914 -0.054 0.000 2.307 173 V HA -0.452 nan 4.120 nan 0.000 0.245 173 V C 2.457 178.533 176.094 -0.029 0.000 1.045 173 V CA 4.326 66.597 62.300 -0.049 0.000 1.024 173 V CB -1.014 30.775 31.823 -0.058 0.000 0.651 173 V HN -0.164 7.989 8.190 -0.061 0.000 0.449 174 R N -1.295 119.192 120.500 -0.021 0.000 2.120 174 R HA -0.231 nan 4.340 nan 0.000 0.234 174 R C 2.538 178.831 176.300 -0.011 0.000 1.123 174 R CA 1.986 58.078 56.100 -0.013 0.000 0.975 174 R CB -1.031 29.265 30.300 -0.007 0.000 0.866 174 R HN 0.189 8.446 8.270 -0.022 0.000 0.446 175 S N -2.134 113.558 115.700 -0.014 0.000 2.414 175 S HA -0.086 nan 4.470 nan 0.000 0.227 175 S C 1.130 175.723 174.600 -0.012 0.000 1.022 175 S CA 2.658 60.851 58.200 -0.012 0.000 0.958 175 S CB 0.381 63.574 63.200 -0.013 0.000 0.797 175 S HN -0.286 7.994 8.310 -0.017 0.020 0.493 176 V N 0.761 120.665 119.914 -0.016 0.000 2.403 176 V HA 0.095 nan 4.120 nan 0.000 0.239 176 V C 0.386 176.474 176.094 -0.009 0.000 1.041 176 V CA 1.907 64.198 62.300 -0.015 0.000 1.051 176 V CB 1.617 33.428 31.823 -0.020 0.000 0.704 176 V HN -0.803 7.282 8.190 -0.020 0.092 0.472 177 V N -4.895 115.014 119.914 -0.008 0.000 2.225 177 V HA 0.651 nan 4.120 nan 0.000 0.264 177 V C -1.301 174.791 176.094 -0.004 0.000 1.067 177 V CA -3.963 58.336 62.300 -0.001 0.000 0.903 177 V CB -1.904 29.923 31.823 0.006 0.000 1.136 177 V HN -0.054 8.128 8.190 -0.014 0.000 0.456 178 P HA -0.197 nan 4.420 nan 0.000 0.217 178 P C 0.197 177.496 177.300 -0.002 0.000 1.148 178 P CA 2.489 65.587 63.100 -0.002 0.000 0.828 178 P CB 0.073 31.774 31.700 0.001 0.000 0.783 179 D N -2.923 117.479 120.400 0.004 0.000 2.363 179 D HA -0.095 nan 4.640 nan 0.000 0.226 179 D C -0.130 176.168 176.300 -0.003 0.000 1.020 179 D CA 0.407 54.411 54.000 0.008 0.000 0.892 179 D CB -0.572 40.240 40.800 0.020 0.000 0.900 179 D HN 0.197 8.540 8.370 0.006 0.030 0.531 180 A N 0.583 123.397 122.820 -0.010 0.000 2.466 180 A HA 0.015 nan 4.320 nan 0.000 0.238 180 A C -0.853 176.693 177.584 -0.065 0.000 1.074 180 A CA 0.554 52.577 52.037 -0.024 0.000 0.774 180 A CB 1.030 20.020 19.000 -0.016 0.000 1.015 180 A HN -0.333 7.642 8.150 -0.007 0.170 0.498 181 I N 0.511 121.015 120.570 -0.111 0.000 2.321 181 I HA 0.450 nan 4.170 nan 0.000 0.291 181 I C -1.183 174.863 176.117 -0.119 0.000 0.998 181 I CA -2.031 59.144 61.300 -0.209 0.000 1.227 181 I CB -0.242 37.461 38.000 -0.496 0.000 1.368 181 I HN 0.432 8.485 8.210 -0.086 0.105 0.466 182 I N 8.119 128.638 120.570 -0.085 0.000 2.315 182 I HA 0.448 nan 4.170 nan 0.000 0.291 182 I C -1.257 174.832 176.117 -0.045 0.000 1.006 182 I CA -0.510 60.766 61.300 -0.040 0.000 1.265 182 I CB 0.719 38.706 38.000 -0.021 0.000 1.387 182 I HN 0.707 9.241 8.210 -0.087 -0.376 0.475 183 M N 6.577 126.149 119.600 -0.048 0.000 2.528 183 M HA 0.832 nan 4.480 nan 0.000 0.321 183 M C -1.980 174.143 176.300 -0.296 0.000 1.153 183 M CA -1.070 54.166 55.300 -0.107 0.000 0.951 183 M CB 4.173 36.766 32.600 -0.012 0.000 1.705 183 M HN 0.739 9.017 8.290 -0.019 0.000 0.451 184 I N 0.282 120.692 120.570 -0.266 0.000 2.619 184 I HA 0.480 nan 4.170 nan 0.000 0.292 184 I C -2.974 173.001 176.117 -0.235 0.000 1.100 184 I CA -1.889 59.232 61.300 -0.298 0.000 1.043 184 I CB 4.013 41.989 38.000 -0.039 0.000 1.239 184 I HN 0.476 8.602 8.210 -0.139 0.000 0.420 185 D N 8.820 129.062 120.400 -0.263 0.000 2.422 185 D HA 0.103 nan 4.640 nan 0.000 0.227 185 D C -1.146 175.214 176.300 0.100 0.000 1.190 185 D CA -0.637 53.364 54.000 0.002 0.000 0.905 185 D CB -0.326 40.565 40.800 0.152 0.000 1.034 185 D HN 0.063 8.188 8.370 -0.409 0.000 0.507 186 N N 6.267 125.052 118.700 0.142 0.000 2.378 186 N HA 0.158 nan 4.740 nan 0.000 0.243 186 N C 0.635 176.322 175.510 0.295 0.000 1.137 186 N CA -0.391 52.797 53.050 0.231 0.000 0.862 186 N CB 0.476 39.101 38.487 0.230 0.000 1.116 186 N HN 0.348 8.797 8.380 0.114 0.000 0.499 187 T N 1.765 116.502 114.554 0.304 0.000 2.737 187 T HA -0.227 nan 4.350 nan 0.000 0.265 187 T C 1.432 176.475 174.700 0.572 0.000 1.038 187 T CA 5.107 67.408 62.100 0.335 0.000 1.144 187 T CB -0.441 68.566 68.868 0.232 0.000 0.866 187 T HN -0.416 8.094 8.240 0.271 -0.107 0.434 188 W N 1.736 123.330 121.300 0.489 0.000 2.350 188 W HA -0.323 nan 4.660 nan 0.000 0.289 188 W C -0.536 176.224 176.519 0.403 0.000 1.215 188 W CA 3.252 60.899 57.345 0.504 0.000 1.236 188 W CB -0.222 29.376 29.460 0.230 0.000 1.130 188 W HN 0.006 8.628 8.180 0.737 0.000 0.541 189 A N -5.668 117.560 122.820 0.681 0.000 2.275 189 A HA 0.106 nan 4.320 nan 0.000 0.212 189 A C -1.213 176.533 177.584 0.271 0.000 1.201 189 A CA -0.398 51.942 52.037 0.505 0.000 0.843 189 A CB -0.002 19.410 19.000 0.688 0.000 0.873 189 A HN -0.586 7.959 8.150 0.711 0.032 0.492 190 A N -3.399 119.588 122.820 0.278 0.000 2.799 190 A HA -0.380 nan 4.320 nan 0.000 0.287 190 A C 0.851 178.538 177.584 0.171 0.000 1.484 190 A CA 0.841 53.005 52.037 0.212 0.000 0.813 190 A CB -2.140 16.950 19.000 0.150 0.000 1.009 190 A HN -0.007 8.152 8.150 0.369 0.213 0.545 191 G N -5.194 103.726 108.800 0.200 0.000 2.228 191 G HA2 -0.443 nan 3.960 nan 0.000 0.270 191 G HA3 -0.443 nan 3.960 nan 0.000 0.270 191 G C -0.091 174.879 174.900 0.116 0.000 0.976 191 G CA 1.059 46.251 45.100 0.154 0.000 0.636 191 G HN -0.043 8.376 8.290 0.255 0.024 0.542 192 V N -7.292 112.696 119.914 0.124 0.000 3.212 192 V HA 0.355 nan 4.120 nan 0.000 0.244 192 V C 0.570 176.733 176.094 0.114 0.000 1.151 192 V CA 0.103 62.458 62.300 0.090 0.000 1.119 192 V CB 0.289 32.155 31.823 0.073 0.000 0.838 192 V HN -0.577 7.593 8.190 0.144 0.106 0.470 193 L N -1.796 119.540 121.223 0.189 0.000 2.552 193 L HA -0.025 nan 4.340 nan 0.000 0.227 193 L C -0.430 176.595 176.870 0.259 0.000 1.146 193 L CA 1.565 56.569 54.840 0.273 0.000 0.858 193 L CB 0.395 42.696 42.059 0.404 0.000 0.969 193 L HN -0.431 7.921 8.230 0.203 0.000 0.451 194 F N -1.286 118.637 119.950 -0.046 0.000 2.831 194 F HA 0.125 nan 4.527 nan 0.000 0.346 194 F C -1.995 173.764 175.800 -0.068 0.000 1.224 194 F CA -1.152 56.664 58.000 -0.306 0.000 1.048 194 F CB 2.548 41.058 39.000 -0.817 0.000 1.339 194 F HN -0.793 7.561 8.300 0.189 0.059 0.514 195 K N 8.609 128.719 120.400 -0.483 0.000 2.155 195 K HA 0.096 nan 4.320 nan 0.000 0.240 195 K C 0.329 176.708 176.600 -0.369 0.000 1.193 195 K CA -1.525 54.579 56.287 -0.306 0.000 1.104 195 K CB -2.436 29.946 32.500 -0.196 0.000 1.558 195 K HN 0.646 8.657 8.250 -0.399 0.000 0.313 196 A N 4.286 126.901 122.820 -0.341 0.000 1.929 196 A HA -0.355 nan 4.320 nan 0.000 0.221 196 A C 1.223 178.821 177.584 0.023 0.000 1.211 196 A CA 3.291 55.280 52.037 -0.081 0.000 0.657 196 A CB -0.592 18.488 19.000 0.134 0.000 0.827 196 A HN 0.110 8.073 8.150 -0.227 0.050 0.462 197 L N -4.683 116.531 121.223 -0.016 0.000 2.265 197 L HA -0.263 nan 4.340 nan 0.000 0.215 197 L C 2.395 179.229 176.870 -0.061 0.000 1.117 197 L CA 2.553 57.382 54.840 -0.019 0.000 0.782 197 L CB -0.625 41.417 42.059 -0.028 0.000 0.914 197 L HN 0.052 8.264 8.230 -0.030 0.000 0.441 198 D N -0.229 120.091 120.400 -0.133 0.000 2.347 198 D HA -0.105 nan 4.640 nan 0.000 0.215 198 D C 0.984 177.054 176.300 -0.383 0.000 0.976 198 D CA 2.642 56.477 54.000 -0.275 0.000 0.884 198 D CB -0.080 40.481 40.800 -0.398 0.000 0.915 198 D HN 0.069 8.210 8.370 -0.132 0.149 0.526 199 F N -2.001 117.851 119.950 -0.163 0.000 2.693 199 F HA 0.132 nan 4.527 nan 0.000 0.303 199 F C 0.615 176.392 175.800 -0.039 0.000 1.097 199 F CA 0.074 58.020 58.000 -0.091 0.000 1.330 199 F CB 0.173 39.136 39.000 -0.062 0.000 1.067 199 F HN -0.528 7.665 8.300 0.097 0.165 0.565 200 G N -1.212 107.631 108.800 0.071 0.000 2.175 200 G HA2 -0.453 nan 3.960 nan 0.000 0.244 200 G HA3 -0.453 nan 3.960 nan 0.000 0.244 200 G C -1.151 173.779 174.900 0.050 0.000 0.982 200 G CA 0.071 45.199 45.100 0.046 0.000 0.641 200 G HN -0.677 7.556 8.290 0.018 0.068 0.527 201 I N 0.046 120.661 120.570 0.074 0.000 2.529 201 I HA -0.183 nan 4.170 nan 0.000 0.284 201 I C -0.257 175.876 176.117 0.027 0.000 1.082 201 I CA 1.256 62.588 61.300 0.054 0.000 1.406 201 I CB 0.152 38.204 38.000 0.088 0.000 1.405 201 I HN -0.728 7.497 8.210 0.105 0.048 0.548 202 D N 6.554 126.955 120.400 0.003 0.000 2.162 202 D HA 0.044 nan 4.640 nan 0.000 0.205 202 D C -0.843 175.474 176.300 0.028 0.000 0.964 202 D CA 3.078 57.076 54.000 -0.003 0.000 0.847 202 D CB 1.256 42.019 40.800 -0.062 0.000 0.988 202 D HN 0.025 8.389 8.370 -0.010 0.000 0.480 203 V N -2.569 117.362 119.914 0.028 0.000 2.577 203 V HA 0.430 nan 4.120 nan 0.000 0.303 203 V C -2.228 173.903 176.094 0.062 0.000 1.042 203 V CA -1.298 61.046 62.300 0.074 0.000 0.872 203 V CB 2.695 34.584 31.823 0.110 0.000 0.998 203 V HN -0.704 7.488 8.190 0.004 0.000 0.423 204 S N 5.121 120.870 115.700 0.081 0.000 2.438 204 S HA 0.753 nan 4.470 nan 0.000 0.316 204 S C -1.588 173.072 174.600 0.100 0.000 1.084 204 S CA -1.971 56.278 58.200 0.082 0.000 1.107 204 S CB 1.076 64.328 63.200 0.087 0.000 0.981 204 S HN 0.522 8.887 8.310 0.092 0.000 0.466 205 I N 7.375 127.997 120.570 0.086 0.000 2.525 205 I HA 0.613 nan 4.170 nan 0.000 0.301 205 I C -1.842 174.336 176.117 0.101 0.000 0.992 205 I CA -0.708 60.650 61.300 0.097 0.000 1.162 205 I CB 2.518 40.572 38.000 0.089 0.000 1.332 205 I HN 1.020 9.263 8.210 0.054 0.000 0.458 206 Q N 2.570 122.427 119.800 0.094 0.000 2.345 206 Q HA 0.465 nan 4.340 nan 0.000 0.275 206 Q C -1.869 174.149 176.000 0.030 0.000 1.063 206 Q CA -1.520 54.331 55.803 0.080 0.000 0.819 206 Q CB 5.121 33.916 28.738 0.094 0.000 1.356 206 Q HN 0.388 8.717 8.270 0.098 0.000 0.418 207 A N 2.871 125.671 122.820 -0.035 0.000 2.798 207 A HA 0.403 nan 4.320 nan 0.000 0.316 207 A C -0.173 177.335 177.584 -0.125 0.000 1.506 207 A CA -1.571 50.400 52.037 -0.110 0.000 1.162 207 A CB -0.532 18.326 19.000 -0.237 0.000 1.138 207 A HN 0.694 8.825 8.150 -0.032 0.000 0.532 208 A N 6.110 128.904 122.820 -0.043 0.000 2.186 208 A HA -0.325 nan 4.320 nan 0.000 0.219 208 A C 1.232 178.761 177.584 -0.091 0.000 1.159 208 A CA 2.741 54.760 52.037 -0.030 0.000 0.680 208 A CB -0.528 18.485 19.000 0.022 0.000 0.787 208 A HN 0.155 8.285 8.150 0.000 0.020 0.467 209 T N 0.537 115.006 114.554 -0.141 0.000 2.760 209 T HA -0.422 nan 4.350 nan 0.000 0.269 209 T C 1.407 175.923 174.700 -0.306 0.000 1.047 209 T CA 4.021 66.006 62.100 -0.192 0.000 1.139 209 T CB -0.641 68.089 68.868 -0.230 0.000 0.855 209 T HN -0.412 7.710 8.240 -0.121 0.044 0.471 210 K N -0.129 120.010 120.400 -0.434 0.000 2.465 210 K HA -0.074 nan 4.320 nan 0.000 0.176 210 K C 1.894 178.229 176.600 -0.442 0.000 1.104 210 K CA 1.156 57.047 56.287 -0.661 0.000 1.160 210 K CB -0.105 31.757 32.500 -1.064 0.000 1.607 210 K HN -0.233 7.642 8.250 -0.390 0.141 0.469 211 Y N -1.476 118.718 120.300 -0.176 0.000 2.421 211 Y HA -0.168 nan 4.550 nan 0.000 0.292 211 Y C 2.850 178.741 175.900 -0.014 0.000 1.136 211 Y CA 3.725 61.786 58.100 -0.064 0.000 1.255 211 Y CB -0.428 38.022 38.460 -0.018 0.000 0.991 211 Y HN 0.165 8.259 8.280 -0.311 0.000 0.552 212 L N -1.520 119.765 121.223 0.104 0.000 2.044 212 L HA -0.353 nan 4.340 nan 0.000 0.205 212 L C 1.534 178.451 176.870 0.079 0.000 1.075 212 L CA 2.751 57.644 54.840 0.088 0.000 0.747 212 L CB -0.406 41.689 42.059 0.061 0.000 0.903 212 L HN -0.639 7.619 8.230 0.047 0.000 0.435 213 V N -4.348 115.592 119.914 0.044 0.000 2.323 213 V HA -0.233 nan 4.120 nan 0.000 0.244 213 V C 1.318 177.518 176.094 0.177 0.000 1.041 213 V CA 2.731 65.079 62.300 0.080 0.000 1.025 213 V CB 0.193 32.030 31.823 0.023 0.000 0.656 213 V HN -0.209 7.979 8.190 -0.003 0.000 0.451 214 G N -2.623 106.210 108.800 0.054 0.000 2.175 214 G HA2 -0.444 nan 3.960 nan 0.000 0.265 214 G HA3 -0.444 nan 3.960 nan 0.000 0.265 214 G C -0.949 173.829 174.900 -0.203 0.000 0.979 214 G CA 1.884 46.971 45.100 -0.021 0.000 0.663 214 G HN 0.276 8.549 8.290 -0.028 0.000 0.533 215 H N -2.376 116.724 119.070 0.050 0.000 3.230 215 H HA 0.216 nan 4.556 nan 0.000 0.259 215 H C -0.416 174.881 175.328 -0.051 0.000 1.195 215 H CA -1.457 54.656 56.048 0.109 0.000 1.112 215 H CB 1.088 30.980 29.762 0.216 0.000 1.638 215 H HN -0.092 8.214 8.280 0.150 0.064 0.624 216 S N -1.763 113.903 115.700 -0.057 0.000 3.561 216 S HA -0.429 nan 4.470 nan 0.000 0.318 216 S C -0.334 174.244 174.600 -0.036 0.000 1.181 216 S CA 1.648 59.781 58.200 -0.112 0.000 0.916 216 S CB -1.445 61.639 63.200 -0.192 0.000 0.966 216 S HN 0.435 8.689 8.310 -0.093 0.000 0.550 217 D N -3.910 116.499 120.400 0.014 0.000 2.582 217 D HA 0.024 nan 4.640 nan 0.000 0.246 217 D C -1.689 174.618 176.300 0.012 0.000 1.334 217 D CA -1.194 52.820 54.000 0.023 0.000 0.805 217 D CB 0.398 41.233 40.800 0.057 0.000 1.087 217 D HN 0.115 8.485 8.370 0.033 0.020 0.499 218 A N -0.592 122.225 122.820 -0.004 0.000 2.574 218 A HA 0.275 nan 4.320 nan 0.000 0.297 218 A C -1.633 175.934 177.584 -0.027 0.000 1.062 218 A CA -0.238 51.796 52.037 -0.005 0.000 0.686 218 A CB 2.682 21.689 19.000 0.010 0.000 1.285 218 A HN -0.390 7.747 8.150 -0.021 0.000 0.403 219 M N 1.450 121.039 119.600 -0.018 0.000 2.321 219 M HA 0.436 nan 4.480 nan 0.000 0.315 219 M C -1.314 174.987 176.300 0.002 0.000 1.052 219 M CA -0.296 54.988 55.300 -0.027 0.000 0.936 219 M CB 2.769 35.354 32.600 -0.026 0.000 1.639 219 M HN 0.173 8.460 8.290 -0.005 0.000 0.433 220 I N 0.309 120.881 120.570 0.004 0.000 2.842 220 I HA 0.419 nan 4.170 nan 0.000 0.296 220 I C -2.862 173.294 176.117 0.066 0.000 1.538 220 I CA -0.660 60.670 61.300 0.051 0.000 0.994 220 I CB 4.695 42.725 38.000 0.050 0.000 1.372 220 I HN 0.262 8.455 8.210 -0.027 0.000 0.478 221 G N 2.152 111.045 108.800 0.155 0.000 2.571 221 G HA2 0.674 nan 3.960 nan 0.000 0.304 221 G HA3 0.674 nan 3.960 nan 0.000 0.304 221 G C -2.763 172.338 174.900 0.334 0.000 1.314 221 G CA -0.984 44.227 45.100 0.184 0.000 0.975 221 G HN -0.095 8.223 8.290 0.204 0.094 0.485 222 T N -3.294 111.421 114.554 0.268 0.000 2.907 222 T HA 0.934 nan 4.350 nan 0.000 0.292 222 T C -2.094 172.794 174.700 0.313 0.000 1.043 222 T CA -2.541 59.741 62.100 0.303 0.000 1.003 222 T CB 3.266 72.238 68.868 0.173 0.000 1.084 222 T HN 0.356 8.701 8.240 0.174 0.000 0.483 223 A N 0.924 123.964 122.820 0.368 0.000 2.569 223 A HA 0.656 nan 4.320 nan 0.000 0.282 223 A C -2.128 175.601 177.584 0.241 0.000 1.165 223 A CA -0.456 51.773 52.037 0.320 0.000 0.747 223 A CB 1.551 20.838 19.000 0.478 0.000 1.215 223 A HN 0.359 8.724 8.150 0.359 0.000 0.431 224 V N 4.078 124.083 119.914 0.152 0.000 2.432 224 V HA 0.513 nan 4.120 nan 0.000 0.275 224 V C -1.029 175.115 176.094 0.085 0.000 1.043 224 V CA -0.436 61.911 62.300 0.078 0.000 0.925 224 V CB 0.472 32.317 31.823 0.037 0.000 0.985 224 V HN 0.397 8.673 8.190 0.142 0.000 0.466 225 C N 7.345 126.684 119.300 0.065 0.000 2.470 225 C HA 0.786 nan 4.460 nan 0.000 0.341 225 C C -0.952 174.066 174.990 0.046 0.000 1.190 225 C CA -1.951 57.137 59.018 0.116 0.000 1.904 225 C CB 2.775 30.686 27.740 0.285 0.000 2.354 225 C HN 0.782 9.005 8.230 -0.012 0.000 0.509 226 N N 1.013 119.760 118.700 0.078 0.000 2.413 226 N HA 0.056 nan 4.740 nan 0.000 0.266 226 N C 0.891 176.467 175.510 0.111 0.000 1.238 226 N CA -1.038 52.042 53.050 0.050 0.000 0.972 226 N CB 0.536 39.047 38.487 0.039 0.000 1.210 226 N HN 0.065 8.505 8.380 0.100 0.000 0.547 227 A N 0.502 123.375 122.820 0.089 0.000 1.978 227 A HA -0.307 nan 4.320 nan 0.000 0.220 227 A C 1.416 179.103 177.584 0.172 0.000 1.170 227 A CA 2.813 54.937 52.037 0.144 0.000 0.636 227 A CB -0.639 18.416 19.000 0.092 0.000 0.810 227 A HN 0.534 8.713 8.150 0.048 0.000 0.448 228 R N -3.543 117.034 120.500 0.128 0.000 2.092 228 R HA -0.117 nan 4.340 nan 0.000 0.231 228 R C 0.876 177.282 176.300 0.177 0.000 1.119 228 R CA 2.289 58.461 56.100 0.121 0.000 0.970 228 R CB -0.116 30.229 30.300 0.075 0.000 0.864 228 R HN -0.135 8.219 8.270 0.097 -0.025 0.440 229 C N -2.251 117.182 119.300 0.221 0.000 2.865 229 C HA 0.327 nan 4.460 nan 0.000 0.280 229 C C 1.317 176.574 174.990 0.444 0.000 1.255 229 C CA 0.541 59.766 59.018 0.345 0.000 1.705 229 C CB -0.524 27.369 27.740 0.256 0.000 2.080 229 C HN -0.179 8.465 8.230 0.192 -0.299 0.591 230 W N 1.789 123.187 121.300 0.162 0.000 2.298 230 W HA -0.542 nan 4.660 nan 0.000 0.328 230 W C 0.736 177.314 176.519 0.098 0.000 1.259 230 W CA 4.058 61.480 57.345 0.128 0.000 1.251 230 W CB -0.521 28.985 29.460 0.077 0.000 1.161 230 W HN 0.097 8.549 8.180 0.454 0.000 0.466 231 E N -2.541 117.571 120.200 -0.145 0.000 2.097 231 E HA -0.616 nan 4.350 nan 0.000 0.196 231 E C 2.179 178.639 176.600 -0.233 0.000 1.000 231 E CA 3.738 59.910 56.400 -0.380 0.000 0.804 231 E CB -0.752 28.806 29.700 -0.236 0.000 0.740 231 E HN 0.349 8.766 8.360 0.095 0.000 0.454 232 Q N -0.904 118.844 119.800 -0.088 0.000 2.079 232 Q HA -0.218 nan 4.340 nan 0.000 0.200 232 Q C 2.481 178.334 176.000 -0.246 0.000 0.974 232 Q CA 2.824 58.532 55.803 -0.158 0.000 0.840 232 Q CB -0.335 28.322 28.738 -0.135 0.000 0.898 232 Q HN -0.365 7.916 8.270 0.017 0.000 0.430 233 L N 0.085 121.232 121.223 -0.126 0.000 2.017 233 L HA -0.309 nan 4.340 nan 0.000 0.208 233 L C 1.627 178.505 176.870 0.013 0.000 1.073 233 L CA 2.632 57.454 54.840 -0.030 0.000 0.745 233 L CB -0.698 41.549 42.059 0.315 0.000 0.894 233 L HN -0.365 7.904 8.230 0.064 0.000 0.432 234 R N -0.825 119.646 120.500 -0.048 0.000 2.082 234 R HA -0.480 nan 4.340 nan 0.000 0.234 234 R C 2.124 178.373 176.300 -0.085 0.000 1.136 234 R CA 3.916 59.951 56.100 -0.107 0.000 0.935 234 R CB -0.183 29.849 30.300 -0.447 0.000 0.842 234 R HN 0.418 8.639 8.270 -0.082 0.000 0.430 235 E N -2.226 117.882 120.200 -0.154 0.000 2.110 235 E HA -0.286 nan 4.350 nan 0.000 0.193 235 E C 2.818 179.423 176.600 0.008 0.000 0.988 235 E CA 2.607 58.957 56.400 -0.083 0.000 0.804 235 E CB -0.700 28.917 29.700 -0.138 0.000 0.745 235 E HN -0.066 8.156 8.360 -0.230 0.000 0.458 236 N N -0.469 118.205 118.700 -0.042 0.000 2.250 236 N HA -0.149 nan 4.740 nan 0.000 0.181 236 N C 2.141 177.670 175.510 0.031 0.000 1.017 236 N CA 2.384 55.419 53.050 -0.025 0.000 0.866 236 N CB -0.369 38.057 38.487 -0.102 0.000 0.985 236 N HN -0.170 8.152 8.380 -0.097 0.000 0.429 237 A N 0.409 123.265 122.820 0.061 0.000 1.930 237 A HA -0.224 nan 4.320 nan 0.000 0.217 237 A C 1.733 179.358 177.584 0.070 0.000 1.175 237 A CA 2.784 54.886 52.037 0.108 0.000 0.627 237 A CB -0.736 18.345 19.000 0.134 0.000 0.815 237 A HN 0.147 8.320 8.150 0.038 0.000 0.443 238 Y N -0.306 119.971 120.300 -0.038 0.000 2.224 238 Y HA -0.355 nan 4.550 nan 0.000 0.289 238 Y C 2.306 178.203 175.900 -0.004 0.000 1.146 238 Y CA 3.708 61.791 58.100 -0.029 0.000 1.182 238 Y CB 0.184 38.621 38.460 -0.038 0.000 0.983 238 Y HN -0.240 8.068 8.280 0.180 0.080 0.524 239 L N -2.020 119.225 121.223 0.037 0.000 2.362 239 L HA -0.299 nan 4.340 nan 0.000 0.219 239 L C 1.195 178.029 176.870 -0.060 0.000 1.134 239 L CA 2.278 57.106 54.840 -0.021 0.000 0.807 239 L CB -0.073 42.003 42.059 0.028 0.000 0.927 239 L HN -0.349 7.873 8.230 0.120 0.079 0.447 240 M N -4.084 115.490 119.600 -0.043 0.000 2.495 240 M HA 0.089 nan 4.480 nan 0.000 0.237 240 M C 0.843 177.106 176.300 -0.062 0.000 1.131 240 M CA -1.478 53.809 55.300 -0.023 0.000 1.032 240 M CB -0.156 32.464 32.600 0.032 0.000 1.513 240 M HN -0.734 7.395 8.290 -0.017 0.151 0.488 241 G N -0.524 108.178 108.800 -0.164 0.000 2.221 241 G HA2 -0.323 nan 3.960 nan 0.000 0.265 241 G HA3 -0.323 nan 3.960 nan 0.000 0.265 241 G C -0.077 174.747 174.900 -0.127 0.000 1.041 241 G CA 0.459 45.434 45.100 -0.209 0.000 0.807 241 G HN -0.219 7.719 8.290 -0.221 0.219 0.502 242 Q N 0.706 120.450 119.800 -0.093 0.000 2.286 242 Q HA 0.128 nan 4.340 nan 0.000 0.257 242 Q C -0.925 175.000 176.000 -0.125 0.000 0.941 242 Q CA -0.364 55.404 55.803 -0.059 0.000 0.912 242 Q CB 0.728 29.461 28.738 -0.008 0.000 1.192 242 Q HN -0.338 7.873 8.270 -0.098 0.000 0.410 243 M N -3.450 116.093 119.600 -0.095 0.000 3.196 243 M HA 0.164 nan 4.480 nan 0.000 0.279 243 M C -2.497 173.791 176.300 -0.021 0.000 1.173 243 M CA -0.356 54.887 55.300 -0.095 0.000 0.820 243 M CB 2.321 34.860 32.600 -0.101 0.000 1.621 243 M HN -0.114 8.151 8.290 -0.041 0.000 0.521 244 V N 0.089 120.025 119.914 0.036 0.000 3.007 244 V HA 0.289 nan 4.120 nan 0.000 0.311 244 V C -2.021 174.193 176.094 0.200 0.000 1.120 244 V CA -1.599 60.761 62.300 0.101 0.000 0.980 244 V CB 2.434 34.322 31.823 0.108 0.000 1.033 244 V HN 0.065 8.262 8.190 0.012 0.000 0.429 245 D N 1.814 122.286 120.400 0.120 0.000 2.382 245 D HA -0.022 nan 4.640 nan 0.000 0.240 245 D C 0.935 177.262 176.300 0.045 0.000 1.146 245 D CA -0.105 53.959 54.000 0.106 0.000 0.897 245 D CB 1.611 42.430 40.800 0.032 0.000 1.197 245 D HN 0.031 8.445 8.370 0.074 0.000 0.432 246 A N 2.606 125.408 122.820 -0.031 0.000 1.940 246 A HA -0.333 nan 4.320 nan 0.000 0.219 246 A C 1.605 179.085 177.584 -0.174 0.000 1.176 246 A CA 3.065 54.927 52.037 -0.292 0.000 0.631 246 A CB 0.030 18.926 19.000 -0.174 0.000 0.814 246 A HN 0.542 8.725 8.150 0.054 0.000 0.446 247 D N -2.501 117.850 120.400 -0.082 0.000 2.117 247 D HA -0.235 nan 4.640 nan 0.000 0.198 247 D C 2.373 178.691 176.300 0.031 0.000 0.982 247 D CA 4.033 58.014 54.000 -0.033 0.000 0.828 247 D CB -0.070 40.703 40.800 -0.046 0.000 0.967 247 D HN -0.069 8.325 8.370 -0.068 -0.064 0.464 248 T N 2.526 117.082 114.554 0.004 0.000 2.821 248 T HA -0.207 nan 4.350 nan 0.000 0.267 248 T C 1.549 176.252 174.700 0.004 0.000 1.046 248 T CA 4.480 66.590 62.100 0.016 0.000 1.139 248 T CB -0.509 68.370 68.868 0.018 0.000 0.871 248 T HN -0.421 8.090 8.240 -0.011 -0.278 0.454 249 A N 1.987 124.779 122.820 -0.047 0.000 1.902 249 A HA -0.257 nan 4.320 nan 0.000 0.217 249 A C 1.164 178.716 177.584 -0.055 0.000 1.181 249 A CA 3.186 55.170 52.037 -0.087 0.000 0.623 249 A CB -0.991 17.840 19.000 -0.281 0.000 0.818 249 A HN -0.332 7.769 8.150 -0.083 0.000 0.443 250 Y N -0.001 120.213 120.300 -0.144 0.000 2.128 250 Y HA -0.422 nan 4.550 nan 0.000 0.284 250 Y C 1.977 177.840 175.900 -0.060 0.000 1.154 250 Y CA 3.835 61.874 58.100 -0.102 0.000 1.149 250 Y CB 0.293 38.692 38.460 -0.101 0.000 0.976 250 Y HN -0.313 7.996 8.280 0.047 0.000 0.505 251 I N -2.588 118.025 120.570 0.071 0.000 2.361 251 I HA -0.505 nan 4.170 nan 0.000 0.251 251 I C 2.209 178.297 176.117 -0.048 0.000 1.133 251 I CA 2.948 64.254 61.300 0.009 0.000 1.413 251 I CB -1.309 36.730 38.000 0.065 0.000 1.073 251 I HN 0.227 8.538 8.210 0.167 0.000 0.424 252 T N 2.801 117.331 114.554 -0.040 0.000 2.812 252 T HA -0.189 nan 4.350 nan 0.000 0.264 252 T C 2.235 176.900 174.700 -0.058 0.000 1.042 252 T CA 4.979 67.064 62.100 -0.025 0.000 1.140 252 T CB -0.485 68.381 68.868 -0.003 0.000 0.870 252 T HN 0.129 8.236 8.240 -0.027 0.117 0.445 253 S N 2.445 118.074 115.700 -0.117 0.000 2.399 253 S HA -0.295 nan 4.470 nan 0.000 0.231 253 S C 1.546 176.051 174.600 -0.157 0.000 1.022 253 S CA 3.948 62.069 58.200 -0.132 0.000 0.983 253 S CB -0.202 62.894 63.200 -0.173 0.000 0.803 253 S HN 0.045 8.276 8.310 -0.132 0.000 0.480 254 R N 1.131 121.486 120.500 -0.242 0.000 2.092 254 R HA -0.228 nan 4.340 nan 0.000 0.231 254 R C 2.164 178.430 176.300 -0.057 0.000 1.119 254 R CA 2.737 58.713 56.100 -0.206 0.000 0.970 254 R CB -0.020 30.105 30.300 -0.292 0.000 0.864 254 R HN -0.322 7.673 8.270 -0.304 0.093 0.440 255 G N -1.623 107.174 108.800 -0.004 0.000 2.422 255 G HA2 -0.223 nan 3.960 nan 0.000 0.218 255 G HA3 -0.223 nan 3.960 nan 0.000 0.218 255 G C 1.376 176.322 174.900 0.077 0.000 1.140 255 G CA 1.522 46.676 45.100 0.090 0.000 0.775 255 G HN -0.431 7.754 8.290 -0.029 0.088 0.545 256 L N 0.052 121.296 121.223 0.036 0.000 2.079 256 L HA -0.413 nan 4.340 nan 0.000 0.210 256 L C 2.583 179.475 176.870 0.037 0.000 1.081 256 L CA 2.767 57.629 54.840 0.038 0.000 0.752 256 L CB -0.585 41.484 42.059 0.016 0.000 0.896 256 L HN -0.598 7.621 8.230 0.009 0.017 0.433 257 R N -3.324 117.189 120.500 0.021 0.000 2.105 257 R HA -0.244 nan 4.340 nan 0.000 0.239 257 R C 1.384 177.708 176.300 0.040 0.000 1.135 257 R CA 2.233 58.346 56.100 0.021 0.000 0.967 257 R CB -1.045 29.256 30.300 0.003 0.000 0.861 257 R HN -0.244 8.008 8.270 0.004 0.020 0.442 258 T N -5.298 109.294 114.554 0.063 0.000 3.134 258 T HA 0.358 nan 4.350 nan 0.000 0.260 258 T C 0.742 175.491 174.700 0.083 0.000 1.027 258 T CA -0.819 61.325 62.100 0.073 0.000 0.913 258 T CB 0.805 69.733 68.868 0.099 0.000 1.046 258 T HN -0.632 7.637 8.240 0.075 0.017 0.553 259 L N 2.645 123.918 121.223 0.082 0.000 2.042 259 L HA -0.311 nan 4.340 nan 0.000 0.210 259 L C 0.848 177.761 176.870 0.072 0.000 1.076 259 L CA 3.066 57.960 54.840 0.091 0.000 0.749 259 L CB -0.509 41.598 42.059 0.081 0.000 0.893 259 L HN -0.250 7.825 8.230 0.072 0.198 0.432 260 G N -2.894 105.939 108.800 0.055 0.000 2.404 260 G HA2 -0.376 nan 3.960 nan 0.000 0.215 260 G HA3 -0.376 nan 3.960 nan 0.000 0.215 260 G C 1.005 175.929 174.900 0.040 0.000 1.174 260 G CA 2.502 47.629 45.100 0.046 0.000 0.780 260 G HN 0.430 8.751 8.290 0.052 0.000 0.537 261 V N -2.569 117.365 119.914 0.033 0.000 2.515 261 V HA -0.197 nan 4.120 nan 0.000 0.250 261 V C 1.949 178.045 176.094 0.004 0.000 1.058 261 V CA 1.752 64.062 62.300 0.016 0.000 1.064 261 V CB -0.982 30.848 31.823 0.011 0.000 0.675 261 V HN -0.401 7.811 8.190 0.037 0.000 0.461 262 R N 0.466 120.985 120.500 0.032 0.000 2.057 262 R HA -0.258 nan 4.340 nan 0.000 0.229 262 R C 2.356 178.688 176.300 0.052 0.000 1.136 262 R CA 3.217 59.329 56.100 0.020 0.000 0.952 262 R CB -0.130 30.259 30.300 0.149 0.000 0.848 262 R HN -0.530 7.760 8.270 0.056 0.014 0.430 263 L N -1.165 120.131 121.223 0.121 0.000 2.079 263 L HA -0.406 nan 4.340 nan 0.000 0.210 263 L C 2.225 179.158 176.870 0.104 0.000 1.081 263 L CA 3.183 58.077 54.840 0.090 0.000 0.752 263 L CB -0.638 41.420 42.059 -0.001 0.000 0.896 263 L HN -0.017 8.273 8.230 0.099 0.000 0.433 264 R N -2.310 118.228 120.500 0.064 0.000 2.092 264 R HA -0.396 nan 4.340 nan 0.000 0.231 264 R C 2.411 178.723 176.300 0.020 0.000 1.119 264 R CA 3.887 60.015 56.100 0.046 0.000 0.970 264 R CB -0.484 29.821 30.300 0.009 0.000 0.864 264 R HN -0.522 7.776 8.270 0.046 0.000 0.440 265 Q N -1.140 118.639 119.800 -0.034 0.000 2.083 265 Q HA -0.189 nan 4.340 nan 0.000 0.198 265 Q C 2.571 178.540 176.000 -0.051 0.000 0.969 265 Q CA 2.850 58.603 55.803 -0.083 0.000 0.838 265 Q CB -0.894 27.743 28.738 -0.169 0.000 0.900 265 Q HN -0.348 7.809 8.270 -0.051 0.082 0.436 266 H N -0.111 118.991 119.070 0.053 0.000 2.352 266 H HA -0.288 nan 4.556 nan 0.000 0.299 266 H C 2.635 178.023 175.328 0.100 0.000 1.097 266 H CA 3.851 59.930 56.048 0.052 0.000 1.311 266 H CB -0.022 29.742 29.762 0.003 0.000 1.377 266 H HN 0.087 8.287 8.280 -0.134 0.000 0.504 267 H N -0.043 119.092 119.070 0.109 0.000 2.293 267 H HA -0.263 nan 4.556 nan 0.000 0.300 267 H C 2.171 177.535 175.328 0.060 0.000 1.082 267 H CA 2.987 59.088 56.048 0.089 0.000 1.308 267 H CB 0.109 29.925 29.762 0.090 0.000 1.375 267 H HN 0.216 8.565 8.280 0.291 0.106 0.495 268 E N -1.221 119.093 120.200 0.189 0.000 2.077 268 E HA -0.391 nan 4.350 nan 0.000 0.193 268 E C 2.494 179.134 176.600 0.067 0.000 0.989 268 E CA 3.289 59.723 56.400 0.057 0.000 0.800 268 E CB -0.115 29.569 29.700 -0.026 0.000 0.746 268 E HN -0.233 8.209 8.360 0.137 0.000 0.452 269 S N -0.603 115.141 115.700 0.075 0.000 2.387 269 S HA -0.223 nan 4.470 nan 0.000 0.226 269 S C 2.116 176.782 174.600 0.110 0.000 1.026 269 S CA 3.815 62.056 58.200 0.069 0.000 0.972 269 S CB -0.115 63.117 63.200 0.053 0.000 0.814 269 S HN 0.131 8.488 8.310 0.078 0.000 0.477 270 S N 2.842 118.638 115.700 0.159 0.000 2.387 270 S HA -0.226 nan 4.470 nan 0.000 0.226 270 S C 1.924 176.459 174.600 -0.109 0.000 1.026 270 S CA 2.991 61.303 58.200 0.186 0.000 0.972 270 S CB 0.083 63.484 63.200 0.335 0.000 0.814 270 S HN -0.293 8.126 8.310 0.182 0.000 0.477 271 L N 2.739 123.889 121.223 -0.123 0.000 2.056 271 L HA -0.251 nan 4.340 nan 0.000 0.207 271 L C 0.920 177.674 176.870 -0.193 0.000 1.078 271 L CA 2.593 57.231 54.840 -0.337 0.000 0.749 271 L CB -0.505 41.481 42.059 -0.123 0.000 0.901 271 L HN -0.131 8.128 8.230 0.049 0.000 0.433 272 K N -0.569 119.798 120.400 -0.054 0.000 2.057 272 K HA -0.341 nan 4.320 nan 0.000 0.207 272 K C 2.380 179.016 176.600 0.060 0.000 1.049 272 K CA 3.667 59.954 56.287 -0.001 0.000 0.931 272 K CB -0.106 32.401 32.500 0.011 0.000 0.714 272 K HN -0.598 7.642 8.250 -0.016 0.000 0.440 273 V N -0.752 119.217 119.914 0.091 0.000 2.427 273 V HA -0.363 nan 4.120 nan 0.000 0.248 273 V C 1.832 178.077 176.094 0.250 0.000 1.051 273 V CA 3.599 66.044 62.300 0.241 0.000 1.048 273 V CB -1.009 31.036 31.823 0.370 0.000 0.666 273 V HN -0.281 7.951 8.190 0.071 0.000 0.456 274 A N -0.590 122.196 122.820 -0.056 0.000 1.865 274 A HA -0.394 nan 4.320 nan 0.000 0.217 274 A C 1.967 179.506 177.584 -0.075 0.000 1.191 274 A CA 3.625 55.540 52.037 -0.203 0.000 0.623 274 A CB -0.834 17.763 19.000 -0.672 0.000 0.826 274 A HN 0.242 8.201 8.150 -0.195 0.074 0.444 275 E N -2.030 118.123 120.200 -0.079 0.000 2.153 275 E HA -0.384 nan 4.350 nan 0.000 0.194 275 E C 2.443 179.076 176.600 0.055 0.000 0.988 275 E CA 2.446 58.826 56.400 -0.035 0.000 0.811 275 E CB -0.168 29.513 29.700 -0.033 0.000 0.746 275 E HN -0.228 8.058 8.360 -0.123 0.000 0.466 276 W N -0.029 121.251 121.300 -0.034 0.000 2.409 276 W HA -0.292 nan 4.660 nan 0.000 0.299 276 W C 2.121 178.655 176.519 0.025 0.000 1.203 276 W CA 3.508 60.859 57.345 0.010 0.000 1.298 276 W CB 0.179 29.664 29.460 0.042 0.000 1.127 276 W HN -0.658 7.591 8.180 0.278 0.098 0.528 277 L N -0.845 120.354 121.223 -0.039 0.000 2.056 277 L HA -0.484 nan 4.340 nan 0.000 0.207 277 L C 2.529 179.255 176.870 -0.241 0.000 1.078 277 L CA 2.817 57.482 54.840 -0.290 0.000 0.749 277 L CB -0.509 41.440 42.059 -0.183 0.000 0.901 277 L HN -0.013 8.352 8.230 0.226 0.000 0.433 278 A N -1.302 121.439 122.820 -0.131 0.000 2.024 278 A HA -0.250 nan 4.320 nan 0.000 0.220 278 A C 1.044 178.540 177.584 -0.147 0.000 1.164 278 A CA 2.883 54.853 52.037 -0.111 0.000 0.643 278 A CB -0.706 18.239 19.000 -0.091 0.000 0.806 278 A HN 0.159 8.262 8.150 -0.079 0.000 0.451 279 E N -3.662 116.420 120.200 -0.197 0.000 2.474 279 E HA 0.004 nan 4.350 nan 0.000 0.195 279 E C -0.720 175.688 176.600 -0.321 0.000 1.039 279 E CA -1.006 55.266 56.400 -0.214 0.000 0.881 279 E CB 0.473 30.071 29.700 -0.169 0.000 0.970 279 E HN -0.333 7.760 8.360 -0.216 0.138 0.486 280 H N 1.082 119.848 119.070 -0.508 0.000 2.683 280 H HA 0.159 nan 4.556 nan 0.000 0.339 280 H C -0.686 174.357 175.328 -0.475 0.000 1.081 280 H CA -1.118 54.546 56.048 -0.640 0.000 1.432 280 H CB 0.968 30.123 29.762 -1.012 0.000 1.462 280 H HN -0.339 7.535 8.280 -0.329 0.210 0.557 281 P HA -0.232 nan 4.420 nan 0.000 0.219 281 P C 0.164 177.324 177.300 -0.234 0.000 1.146 281 P CA 2.304 65.166 63.100 -0.396 0.000 0.808 281 P CB 0.433 31.871 31.700 -0.437 0.000 0.779 282 Q N -4.931 114.762 119.800 -0.179 0.000 2.319 282 Q HA 0.121 nan 4.340 nan 0.000 0.202 282 Q C -1.034 174.927 176.000 -0.065 0.000 0.896 282 Q CA 0.043 55.771 55.803 -0.124 0.000 0.942 282 Q CB 0.811 29.460 28.738 -0.148 0.000 1.083 282 Q HN -0.063 8.134 8.270 -0.047 0.045 0.510 283 V N -0.555 119.302 119.914 -0.096 0.000 2.394 283 V HA 0.164 nan 4.120 nan 0.000 0.282 283 V C -1.253 174.845 176.094 0.007 0.000 1.031 283 V CA -0.923 61.388 62.300 0.018 0.000 0.881 283 V CB 0.060 31.857 31.823 -0.044 0.000 0.982 283 V HN -0.690 7.354 8.190 -0.153 0.055 0.451 284 A N 8.245 131.096 122.820 0.051 0.000 1.887 284 A HA 0.103 nan 4.320 nan 0.000 0.212 284 A C -0.552 177.047 177.584 0.026 0.000 1.198 284 A CA 1.532 53.585 52.037 0.027 0.000 0.628 284 A CB 1.471 20.494 19.000 0.038 0.000 0.847 284 A HN 0.826 9.035 8.150 0.099 0.000 0.449 285 R N -2.593 117.937 120.500 0.051 0.000 2.604 285 R HA 0.197 nan 4.340 nan 0.000 0.270 285 R C -2.531 173.823 176.300 0.090 0.000 1.052 285 R CA -0.080 56.043 56.100 0.038 0.000 0.902 285 R CB 2.762 33.070 30.300 0.014 0.000 1.233 285 R HN -0.762 7.558 8.270 0.084 0.000 0.455 286 V N 3.284 123.246 119.914 0.081 0.000 2.409 286 V HA 0.419 nan 4.120 nan 0.000 0.291 286 V C -0.463 175.697 176.094 0.111 0.000 1.020 286 V CA -1.371 61.027 62.300 0.165 0.000 0.848 286 V CB 1.595 33.497 31.823 0.131 0.000 0.990 286 V HN 0.405 8.615 8.190 0.034 0.000 0.430 287 N N 9.888 128.680 118.700 0.153 0.000 2.949 287 N HA 0.240 nan 4.740 nan 0.000 0.243 287 N C -2.087 173.495 175.510 0.120 0.000 1.113 287 N CA -0.492 52.596 53.050 0.063 0.000 0.980 287 N CB 0.535 39.006 38.487 -0.027 0.000 1.256 287 N HN 0.727 9.136 8.380 0.228 0.108 0.508 288 H N 4.314 123.339 119.070 -0.075 0.000 2.823 288 H HA 0.353 nan 4.556 nan 0.000 0.332 288 H C -1.703 173.427 175.328 -0.330 0.000 0.980 288 H CA -3.422 52.512 56.048 -0.190 0.000 1.286 288 H CB 2.876 32.394 29.762 -0.407 0.000 1.541 288 H HN -0.460 7.847 8.280 0.045 0.000 0.521 289 P HA -0.351 nan 4.420 nan 0.000 0.217 289 P C -1.025 175.886 177.300 -0.650 0.000 1.151 289 P CA 2.399 65.204 63.100 -0.491 0.000 0.849 289 P CB 0.123 31.294 31.700 -0.881 0.000 0.787 290 A N -6.086 116.220 122.820 -0.857 0.000 2.167 290 A HA -0.003 nan 4.320 nan 0.000 0.214 290 A C -0.195 177.101 177.584 -0.480 0.000 1.151 290 A CA 0.212 51.526 52.037 -1.204 0.000 0.735 290 A CB 0.222 18.572 19.000 -1.083 0.000 0.802 290 A HN -0.360 7.625 8.150 -0.247 0.017 0.467 291 L N 0.292 121.249 121.223 -0.443 0.000 2.265 291 L HA 0.327 nan 4.340 nan 0.000 0.288 291 L C -2.490 173.965 176.870 -0.692 0.000 1.058 291 L CA -3.477 51.080 54.840 -0.472 0.000 0.809 291 L CB 1.063 42.909 42.059 -0.355 0.000 1.179 291 L HN -0.188 7.651 8.230 -0.324 0.197 0.429 292 P HA -0.081 nan 4.420 nan 0.000 0.264 292 P C -0.071 177.016 177.300 -0.356 0.000 1.183 292 P CA 1.080 63.724 63.100 -0.760 0.000 0.763 292 P CB 0.144 31.630 31.700 -0.357 0.000 0.807 293 G N 3.931 112.604 108.800 -0.212 0.000 2.195 293 G HA2 -0.321 nan 3.960 nan 0.000 0.246 293 G HA3 -0.321 nan 3.960 nan 0.000 0.246 293 G C -0.502 174.360 174.900 -0.063 0.000 0.984 293 G CA -0.166 44.878 45.100 -0.094 0.000 0.633 293 G HN 0.408 8.598 8.290 -0.167 0.000 0.525 294 S N 1.642 117.292 115.700 -0.084 0.000 2.565 294 S HA 0.046 nan 4.470 nan 0.000 0.274 294 S C 0.020 174.631 174.600 0.018 0.000 1.309 294 S CA -0.494 57.683 58.200 -0.039 0.000 1.043 294 S CB 0.819 63.976 63.200 -0.070 0.000 0.939 294 S HN -0.542 7.592 8.310 -0.171 0.073 0.504 295 K N 6.179 126.587 120.400 0.014 0.000 2.437 295 K HA -0.260 nan 4.320 nan 0.000 0.277 295 K C 0.744 177.389 176.600 0.074 0.000 1.073 295 K CA 1.828 58.143 56.287 0.048 0.000 1.105 295 K CB -0.508 32.018 32.500 0.043 0.000 0.881 295 K HN 0.678 8.926 8.250 -0.003 0.000 0.475 296 G N 5.266 114.140 108.800 0.124 0.000 2.159 296 G HA2 -0.456 nan 3.960 nan 0.000 0.256 296 G HA3 -0.456 nan 3.960 nan 0.000 0.256 296 G C 0.622 175.572 174.900 0.084 0.000 0.977 296 G CA 0.901 46.134 45.100 0.223 0.000 0.652 296 G HN 0.809 9.159 8.290 0.100 0.000 0.531 297 H N 2.417 121.466 119.070 -0.035 0.000 2.426 297 H HA -0.442 nan 4.556 nan 0.000 0.298 297 H C 0.706 176.066 175.328 0.053 0.000 1.107 297 H CA 4.586 60.645 56.048 0.018 0.000 1.298 297 H CB 0.332 30.078 29.762 -0.028 0.000 1.377 297 H HN 0.093 8.296 8.280 0.126 0.153 0.519 298 E N -1.582 118.422 120.200 -0.327 0.000 2.153 298 E HA -0.315 nan 4.350 nan 0.000 0.194 298 E C 2.424 178.775 176.600 -0.414 0.000 0.988 298 E CA 3.129 59.254 56.400 -0.459 0.000 0.811 298 E CB -1.078 28.263 29.700 -0.598 0.000 0.746 298 E HN 0.545 8.709 8.360 -0.238 0.053 0.466 299 F N -0.848 119.127 119.950 0.042 0.000 2.270 299 F HA -0.071 nan 4.527 nan 0.000 0.295 299 F C 1.665 177.537 175.800 0.120 0.000 1.087 299 F CA 2.033 60.081 58.000 0.081 0.000 1.365 299 F CB -0.497 38.556 39.000 0.089 0.000 1.056 299 F HN -0.240 7.625 8.300 -0.491 0.140 0.506 300 W N 0.497 121.817 121.300 0.034 0.000 2.355 300 W HA -0.492 nan 4.660 nan 0.000 0.309 300 W C 1.536 178.091 176.519 0.060 0.000 1.206 300 W CA 4.590 61.876 57.345 -0.098 0.000 1.284 300 W CB 0.174 29.396 29.460 -0.397 0.000 1.145 300 W HN 0.026 8.266 8.180 0.226 0.075 0.502 301 K N -1.083 119.204 120.400 -0.188 0.000 2.057 301 K HA -0.377 nan 4.320 nan 0.000 0.207 301 K C 1.838 178.316 176.600 -0.204 0.000 1.049 301 K CA 3.120 59.215 56.287 -0.320 0.000 0.931 301 K CB -0.198 32.175 32.500 -0.211 0.000 0.714 301 K HN -0.148 8.073 8.250 -0.041 0.004 0.440 302 R N -2.626 117.848 120.500 -0.044 0.000 2.100 302 R HA -0.114 nan 4.340 nan 0.000 0.220 302 R C 1.639 178.020 176.300 0.134 0.000 1.091 302 R CA 2.366 58.501 56.100 0.058 0.000 0.986 302 R CB 0.667 31.048 30.300 0.134 0.000 0.888 302 R HN -0.604 7.570 8.270 -0.015 0.087 0.444 303 D N -2.793 117.738 120.400 0.218 0.000 2.324 303 D HA 0.005 nan 4.640 nan 0.000 0.212 303 D C 0.367 176.831 176.300 0.273 0.000 0.984 303 D CA 1.675 55.873 54.000 0.330 0.000 0.885 303 D CB 1.246 42.227 40.800 0.301 0.000 0.996 303 D HN 0.011 8.405 8.370 0.217 0.106 0.505 304 F N -1.323 118.583 119.950 -0.074 0.000 2.380 304 F HA 0.088 nan 4.527 nan 0.000 0.321 304 F C 1.279 176.968 175.800 -0.186 0.000 1.103 304 F CA -0.341 57.607 58.000 -0.086 0.000 1.067 304 F CB 1.548 40.370 39.000 -0.298 0.000 1.265 304 F HN -0.333 8.119 8.300 0.254 0.000 0.517 305 T N -3.099 111.555 114.554 0.167 0.000 3.129 305 T HA 0.353 nan 4.350 nan 0.000 0.267 305 T C -0.231 174.590 174.700 0.202 0.000 1.018 305 T CA -0.788 61.378 62.100 0.110 0.000 0.903 305 T CB 0.340 69.268 68.868 0.101 0.000 1.067 305 T HN 0.450 8.853 8.240 0.272 0.000 0.549 306 G N 1.446 110.436 108.800 0.317 0.000 2.321 306 G HA2 -0.020 nan 3.960 nan 0.000 0.296 306 G HA3 -0.020 nan 3.960 nan 0.000 0.296 306 G C -2.879 172.384 174.900 0.605 0.000 1.287 306 G CA 0.452 45.843 45.100 0.485 0.000 0.846 306 G HN -0.678 7.747 8.290 0.327 0.061 0.508 307 S N -1.947 113.860 115.700 0.177 0.000 2.599 307 S HA 0.485 nan 4.470 nan 0.000 0.287 307 S C -1.464 172.906 174.600 -0.384 0.000 1.105 307 S CA -2.141 56.012 58.200 -0.078 0.000 0.899 307 S CB 2.333 65.326 63.200 -0.344 0.000 1.100 307 S HN 0.070 8.462 8.310 0.137 0.000 0.482 308 S N 0.511 115.682 115.700 -0.882 0.000 2.618 308 S HA 0.259 nan 4.470 nan 0.000 0.284 308 S C 0.201 174.568 174.600 -0.387 0.000 1.102 308 S CA -1.223 56.486 58.200 -0.818 0.000 0.984 308 S CB 2.102 64.502 63.200 -1.333 0.000 1.280 308 S HN 0.061 7.438 8.310 -1.555 0.000 0.525 309 G N -2.350 106.349 108.800 -0.168 0.000 3.453 309 G HA2 0.312 nan 3.960 nan 0.000 0.263 309 G HA3 0.312 nan 3.960 nan 0.000 0.263 309 G C -2.036 172.993 174.900 0.215 0.000 1.060 309 G CA -0.552 44.604 45.100 0.093 0.000 0.793 309 G HN 0.044 8.243 8.290 -0.151 0.000 0.532 310 L N 1.964 123.302 121.223 0.192 0.000 2.289 310 L HA 0.828 nan 4.340 nan 0.000 0.285 310 L C -2.407 174.617 176.870 0.257 0.000 1.049 310 L CA -0.063 54.869 54.840 0.153 0.000 0.804 310 L CB 1.444 43.351 42.059 -0.254 0.000 1.195 310 L HN -0.902 7.329 8.230 0.002 0.000 0.428 311 F N 2.856 122.760 119.950 -0.077 0.000 2.877 311 F HA 0.741 nan 4.527 nan 0.000 0.319 311 F C -3.055 172.709 175.800 -0.060 0.000 1.174 311 F CA -1.291 56.635 58.000 -0.124 0.000 0.903 311 F CB 2.515 41.399 39.000 -0.193 0.000 1.357 311 F HN 0.592 8.797 8.300 -0.160 0.000 0.472 312 S N -2.379 113.291 115.700 -0.051 0.000 2.661 312 S HA 0.939 nan 4.470 nan 0.000 0.285 312 S C -1.891 172.752 174.600 0.072 0.000 1.138 312 S CA -1.157 56.928 58.200 -0.192 0.000 0.855 312 S CB 3.442 66.491 63.200 -0.252 0.000 1.136 312 S HN 0.223 8.642 8.310 0.181 0.000 0.484 313 F N -4.905 114.964 119.950 -0.135 0.000 2.645 313 F HA 0.818 nan 4.527 nan 0.000 0.310 313 F C -2.478 173.237 175.800 -0.141 0.000 1.102 313 F CA -1.679 56.284 58.000 -0.061 0.000 0.952 313 F CB 2.546 41.579 39.000 0.056 0.000 1.326 313 F HN 0.490 8.439 8.300 -0.586 0.000 0.456 314 V N 0.153 120.044 119.914 -0.038 0.000 2.459 314 V HA 0.698 nan 4.120 nan 0.000 0.295 314 V C -0.702 175.423 176.094 0.051 0.000 1.029 314 V CA -1.582 60.623 62.300 -0.158 0.000 0.874 314 V CB 0.870 32.565 31.823 -0.213 0.000 0.985 314 V HN 0.881 9.034 8.190 0.120 0.108 0.438 315 L N 5.792 127.023 121.223 0.013 0.000 2.472 315 L HA -0.020 nan 4.340 nan 0.000 0.260 315 L C -0.300 176.601 176.870 0.050 0.000 1.209 315 L CA 0.410 55.303 54.840 0.090 0.000 0.817 315 L CB 0.318 42.395 42.059 0.029 0.000 1.106 315 L HN 0.582 8.751 8.230 -0.101 0.000 0.479 316 K N -1.793 118.633 120.400 0.043 0.000 2.288 316 K HA -0.224 nan 4.320 nan 0.000 0.201 316 K C -0.005 176.603 176.600 0.013 0.000 1.048 316 K CA 1.997 58.296 56.287 0.020 0.000 0.956 316 K CB 0.419 32.918 32.500 -0.001 0.000 0.746 316 K HN 0.175 8.458 8.250 0.054 0.000 0.461 317 K N -2.858 117.547 120.400 0.007 0.000 2.395 317 K HA 0.199 nan 4.320 nan 0.000 0.247 317 K C -1.633 174.959 176.600 -0.014 0.000 0.973 317 K CA -1.797 54.488 56.287 -0.003 0.000 0.828 317 K CB 2.472 34.967 32.500 -0.008 0.000 1.272 317 K HN -0.534 7.686 8.250 0.010 0.036 0.439 318 K N 2.390 122.780 120.400 -0.016 0.000 2.262 318 K HA 0.105 nan 4.320 nan 0.000 0.282 318 K C -0.359 176.221 176.600 -0.034 0.000 1.066 318 K CA -0.627 55.643 56.287 -0.028 0.000 0.901 318 K CB 0.100 32.582 32.500 -0.029 0.000 1.089 318 K HN 0.134 8.376 8.250 -0.013 0.000 0.476 319 L N 7.313 128.507 121.223 -0.047 0.000 2.426 319 L HA -0.017 nan 4.340 nan 0.000 0.271 319 L C 0.072 176.930 176.870 -0.019 0.000 1.169 319 L CA 0.251 55.068 54.840 -0.038 0.000 0.836 319 L CB 0.426 42.451 42.059 -0.057 0.000 1.112 319 L HN 0.581 8.775 8.230 -0.060 0.000 0.465 320 N N 4.527 123.224 118.700 -0.004 0.000 2.413 320 N HA 0.037 nan 4.740 nan 0.000 0.266 320 N C 0.531 176.052 175.510 0.018 0.000 1.238 320 N CA -0.817 52.236 53.050 0.004 0.000 0.972 320 N CB 0.304 38.795 38.487 0.006 0.000 1.210 320 N HN -0.011 8.690 8.380 -0.003 -0.322 0.547 321 N N -0.857 117.857 118.700 0.023 0.000 2.137 321 N HA -0.351 nan 4.740 nan 0.000 0.190 321 N C 2.414 177.947 175.510 0.039 0.000 1.017 321 N CA 3.033 56.103 53.050 0.033 0.000 0.859 321 N CB -0.421 38.085 38.487 0.031 0.000 1.002 321 N HN 0.453 8.844 8.380 0.019 0.000 0.428 322 E N -0.358 119.863 120.200 0.035 0.000 2.076 322 E HA -0.270 nan 4.350 nan 0.000 0.190 322 E C 2.349 178.981 176.600 0.053 0.000 0.979 322 E CA 3.002 59.426 56.400 0.040 0.000 0.807 322 E CB 0.180 29.899 29.700 0.032 0.000 0.761 322 E HN 0.076 8.628 8.360 0.028 -0.175 0.454 323 E N 0.822 121.051 120.200 0.048 0.000 2.106 323 E HA -0.302 nan 4.350 nan 0.000 0.192 323 E C 2.697 179.355 176.600 0.098 0.000 0.984 323 E CA 2.834 59.270 56.400 0.059 0.000 0.806 323 E CB -0.060 29.656 29.700 0.028 0.000 0.750 323 E HN -0.127 8.614 8.360 0.036 -0.359 0.458 324 L N -1.210 120.064 121.223 0.083 0.000 2.046 324 L HA -0.338 nan 4.340 nan 0.000 0.208 324 L C 1.781 178.740 176.870 0.149 0.000 1.077 324 L CA 3.071 57.983 54.840 0.120 0.000 0.747 324 L CB -0.226 41.879 42.059 0.077 0.000 0.896 324 L HN 0.294 8.545 8.230 0.057 0.013 0.432 325 A N -1.539 121.343 122.820 0.102 0.000 1.873 325 A HA -0.396 nan 4.320 nan 0.000 0.215 325 A C 2.002 179.647 177.584 0.101 0.000 1.186 325 A CA 3.265 55.354 52.037 0.086 0.000 0.616 325 A CB -0.981 18.055 19.000 0.060 0.000 0.823 325 A HN -0.306 7.894 8.150 0.082 0.000 0.442 326 N N -1.265 117.500 118.700 0.107 0.000 2.149 326 N HA -0.317 nan 4.740 nan 0.000 0.188 326 N C 1.816 177.416 175.510 0.150 0.000 1.019 326 N CA 2.943 56.056 53.050 0.105 0.000 0.857 326 N CB 0.127 38.671 38.487 0.094 0.000 0.997 326 N HN -0.270 8.169 8.380 0.098 0.000 0.426 327 Y N 0.374 120.712 120.300 0.063 0.000 2.130 327 Y HA -0.254 nan 4.550 nan 0.000 0.287 327 Y C 1.754 177.795 175.900 0.235 0.000 1.124 327 Y CA 3.655 61.819 58.100 0.106 0.000 1.118 327 Y CB 0.474 38.998 38.460 0.106 0.000 0.994 327 Y HN -0.184 8.185 8.280 0.295 0.088 0.497 328 L N -2.685 118.637 121.223 0.164 0.000 2.109 328 L HA -0.378 nan 4.340 nan 0.000 0.207 328 L C 2.625 179.563 176.870 0.114 0.000 1.086 328 L CA 2.668 57.547 54.840 0.066 0.000 0.760 328 L CB -0.438 41.640 42.059 0.032 0.000 0.910 328 L HN 0.027 8.423 8.230 0.278 0.000 0.437 329 D N -1.063 119.390 120.400 0.088 0.000 2.310 329 D HA -0.139 nan 4.640 nan 0.000 0.212 329 D C 0.689 177.026 176.300 0.061 0.000 0.965 329 D CA 2.490 56.529 54.000 0.065 0.000 0.879 329 D CB -0.395 40.434 40.800 0.049 0.000 0.921 329 D HN 0.108 8.534 8.370 0.093 0.000 0.510 330 N N -1.534 117.191 118.700 0.043 0.000 2.275 330 N HA 0.082 nan 4.740 nan 0.000 0.236 330 N C -1.162 174.287 175.510 -0.102 0.000 1.154 330 N CA -0.208 52.826 53.050 -0.027 0.000 0.866 330 N CB 0.721 39.170 38.487 -0.063 0.000 1.093 330 N HN -0.672 7.691 8.380 0.050 0.047 0.515 331 F N 0.231 120.127 119.950 -0.090 0.000 2.410 331 F HA -0.042 nan 4.527 nan 0.000 0.334 331 F C 0.386 176.184 175.800 -0.004 0.000 1.134 331 F CA 1.054 59.018 58.000 -0.060 0.000 1.227 331 F CB 0.815 39.779 39.000 -0.060 0.000 1.194 331 F HN -0.740 7.665 8.300 0.268 0.057 0.571 332 S N 2.822 118.607 115.700 0.142 0.000 2.506 332 S HA 0.014 nan 4.470 nan 0.000 0.230 332 S C 0.589 175.253 174.600 0.107 0.000 1.066 332 S CA 1.587 59.840 58.200 0.090 0.000 0.940 332 S CB 1.139 64.358 63.200 0.031 0.000 0.818 332 S HN 0.291 9.134 8.310 0.115 -0.464 0.518 333 L N -1.308 120.007 121.223 0.153 0.000 2.556 333 L HA 0.034 nan 4.340 nan 0.000 0.226 333 L C -0.575 176.239 176.870 -0.093 0.000 1.089 333 L CA 0.485 55.333 54.840 0.012 0.000 0.864 333 L CB 1.368 43.379 42.059 -0.080 0.000 1.067 333 L HN -0.364 8.384 8.230 0.243 -0.373 0.477 334 F N -0.852 119.144 119.950 0.077 0.000 2.421 334 F HA 0.025 nan 4.527 nan 0.000 0.337 334 F C -0.755 175.002 175.800 -0.071 0.000 1.105 334 F CA -0.245 57.724 58.000 -0.051 0.000 1.049 334 F CB 1.726 40.571 39.000 -0.259 0.000 1.139 334 F HN -0.882 7.823 8.300 0.497 -0.106 0.479 335 S N 2.633 118.376 115.700 0.071 0.000 2.509 335 S HA 0.307 nan 4.470 nan 0.000 0.297 335 S C -1.212 173.368 174.600 -0.033 0.000 1.118 335 S CA -0.955 57.254 58.200 0.015 0.000 1.074 335 S CB 2.179 65.377 63.200 -0.004 0.000 1.038 335 S HN 0.472 8.814 8.310 0.052 0.000 0.498 336 M N 4.482 124.043 119.600 -0.065 0.000 2.105 336 M HA 0.062 nan 4.480 nan 0.000 0.350 336 M C -1.341 174.880 176.300 -0.132 0.000 1.308 336 M CA 0.553 55.780 55.300 -0.122 0.000 1.108 336 M CB 0.276 32.808 32.600 -0.114 0.000 1.622 336 M HN 0.469 8.734 8.290 -0.040 0.000 0.468 337 A N 4.606 127.313 122.820 -0.188 0.000 2.586 337 A HA 0.209 nan 4.320 nan 0.000 0.291 337 A C -2.741 174.693 177.584 -0.250 0.000 1.062 337 A CA -0.499 51.430 52.037 -0.181 0.000 0.666 337 A CB 2.158 21.115 19.000 -0.071 0.000 1.281 337 A HN 0.024 8.051 8.150 -0.206 0.000 0.421 338 Y N -0.383 119.922 120.300 0.008 0.000 2.340 338 Y HA 0.114 nan 4.550 nan 0.000 0.327 338 Y C 0.648 176.547 175.900 -0.001 0.000 1.321 338 Y CA -0.208 57.910 58.100 0.031 0.000 1.433 338 Y CB 0.721 39.200 38.460 0.031 0.000 1.373 338 Y HN 0.001 8.313 8.280 0.054 0.000 0.538 339 S N 0.405 116.235 115.700 0.216 0.000 3.795 339 S HA -0.150 nan 4.470 nan 0.000 0.639 339 S C -2.131 172.460 174.600 -0.015 0.000 2.014 339 S CA 0.582 58.733 58.200 -0.082 0.000 2.183 339 S CB 0.433 63.508 63.200 -0.207 0.000 0.328 339 S HN 0.413 8.950 8.310 0.377 0.000 1.794 340 W N -4.398 116.685 121.300 -0.362 0.000 2.748 340 W HA 0.041 nan 4.660 nan 0.000 0.436 340 W C -1.809 174.143 176.519 -0.945 0.000 1.018 340 W CA -0.034 56.898 57.345 -0.688 0.000 1.152 340 W CB -0.512 28.587 29.460 -0.602 0.000 1.471 340 W HN -0.146 7.557 8.180 -0.795 0.000 0.594 341 G N -1.847 106.171 108.800 -1.303 0.000 2.157 341 G HA2 -0.326 nan 3.960 nan 0.000 0.239 341 G HA3 -0.326 nan 3.960 nan 0.000 0.239 341 G C -0.864 173.613 174.900 -0.705 0.000 0.982 341 G CA 0.244 44.441 45.100 -1.505 0.000 0.650 341 G HN -0.173 6.739 8.290 -2.295 0.000 0.527 342 G N -2.080 106.454 108.800 -0.443 0.000 2.671 342 G HA2 0.154 nan 3.960 nan 0.000 0.275 342 G HA3 0.154 nan 3.960 nan 0.000 0.275 342 G C -0.534 174.435 174.900 0.114 0.000 1.368 342 G CA -1.503 43.475 45.100 -0.202 0.000 1.044 342 G HN -0.802 7.061 8.290 -0.635 0.046 0.543 343 Y N -5.797 114.556 120.300 0.088 0.000 2.517 343 Y HA 0.047 nan 4.550 nan 0.000 0.281 343 Y C -0.636 175.325 175.900 0.101 0.000 1.125 343 Y CA -0.798 57.365 58.100 0.105 0.000 1.283 343 Y CB 0.173 38.633 38.460 -0.001 0.000 1.042 343 Y HN 0.140 8.067 8.280 -0.588 0.000 0.547 344 E N 0.751 120.882 120.200 -0.116 0.000 2.214 344 E HA 0.256 nan 4.350 nan 0.000 0.274 344 E C -1.083 175.532 176.600 0.025 0.000 0.977 344 E CA -2.034 54.358 56.400 -0.014 0.000 0.827 344 E CB 1.493 31.142 29.700 -0.086 0.000 1.130 344 E HN -0.450 7.616 8.360 -0.422 0.042 0.394 345 S N 3.032 118.679 115.700 -0.088 0.000 2.564 345 S HA 0.387 nan 4.470 nan 0.000 0.278 345 S C -0.826 173.770 174.600 -0.007 0.000 1.333 345 S CA 1.232 59.339 58.200 -0.155 0.000 1.048 345 S CB 0.441 63.191 63.200 -0.751 0.000 0.900 345 S HN 0.193 8.729 8.310 -0.153 -0.318 0.505 346 L N 2.563 123.907 121.223 0.202 0.000 2.371 346 L HA 0.961 nan 4.340 nan 0.000 0.262 346 L C -1.814 175.159 176.870 0.171 0.000 1.006 346 L CA -1.166 53.775 54.840 0.167 0.000 0.818 346 L CB 3.995 46.114 42.059 0.099 0.000 1.354 346 L HN 0.241 8.631 8.230 0.267 0.000 0.415 347 I N -0.024 120.528 120.570 -0.031 0.000 2.656 347 I HA 0.758 nan 4.170 nan 0.000 0.292 347 I C -2.401 173.573 176.117 -0.239 0.000 1.144 347 I CA -1.284 59.877 61.300 -0.232 0.000 1.038 347 I CB 3.414 41.080 38.000 -0.557 0.000 1.244 347 I HN 0.365 8.540 8.210 -0.058 0.000 0.420 348 L N 6.023 127.103 121.223 -0.238 0.000 2.472 348 L HA 0.438 nan 4.340 nan 0.000 0.260 348 L C -2.037 174.726 176.870 -0.178 0.000 0.963 348 L CA -0.715 54.004 54.840 -0.203 0.000 0.829 348 L CB 4.828 46.772 42.059 -0.193 0.000 1.348 348 L HN 0.421 8.498 8.230 -0.255 0.000 0.408 349 A N 1.769 124.520 122.820 -0.115 0.000 2.320 349 A HA 0.717 nan 4.320 nan 0.000 0.334 349 A C -0.939 176.640 177.584 -0.008 0.000 1.147 349 A CA -1.399 50.585 52.037 -0.088 0.000 0.820 349 A CB 1.667 20.646 19.000 -0.035 0.000 1.218 349 A HN 0.244 8.338 8.150 -0.094 0.000 0.482 350 N N -0.400 118.293 118.700 -0.012 0.000 2.397 350 N HA 0.273 nan 4.740 nan 0.000 0.291 350 N C -1.449 174.049 175.510 -0.021 0.000 1.065 350 N CA -0.381 52.730 53.050 0.103 0.000 0.884 350 N CB 4.166 42.705 38.487 0.087 0.000 1.551 350 N HN 0.362 8.690 8.380 -0.086 0.000 0.487 351 Q N 2.482 122.105 119.800 -0.295 0.000 2.312 351 Q HA 0.389 nan 4.340 nan 0.000 0.236 351 Q C -0.776 175.083 176.000 -0.236 0.000 0.965 351 Q CA -1.980 53.573 55.803 -0.417 0.000 0.894 351 Q CB -0.742 27.540 28.738 -0.759 0.000 1.225 351 Q HN -0.182 7.872 8.270 -0.360 0.000 0.478 352 P HA -0.213 nan 4.420 nan 0.000 0.218 352 P C 1.421 178.606 177.300 -0.191 0.000 1.148 352 P CA 2.971 65.970 63.100 -0.167 0.000 0.822 352 P CB 0.079 31.616 31.700 -0.272 0.000 0.784 353 E N -3.539 116.551 120.200 -0.184 0.000 2.106 353 E HA -0.269 nan 4.350 nan 0.000 0.192 353 E C 2.477 179.089 176.600 0.020 0.000 0.984 353 E CA 3.324 59.668 56.400 -0.093 0.000 0.806 353 E CB -0.932 28.733 29.700 -0.057 0.000 0.750 353 E HN 0.797 8.997 8.360 -0.231 0.021 0.458 354 H N -0.130 118.927 119.070 -0.022 0.000 2.353 354 H HA -0.261 nan 4.556 nan 0.000 0.300 354 H C 2.468 177.786 175.328 -0.017 0.000 1.090 354 H CA 1.904 57.944 56.048 -0.014 0.000 1.327 354 H CB 0.057 29.825 29.762 0.009 0.000 1.383 354 H HN -0.672 7.345 8.280 -0.232 0.124 0.508 355 I N -2.036 118.607 120.570 0.123 0.000 2.286 355 I HA -0.333 nan 4.170 nan 0.000 0.245 355 I C 2.249 178.362 176.117 -0.007 0.000 1.104 355 I CA 1.328 62.677 61.300 0.081 0.000 1.397 355 I CB -1.434 36.681 38.000 0.191 0.000 1.072 355 I HN -0.606 7.665 8.210 0.102 0.000 0.417 356 A N 0.221 123.006 122.820 -0.057 0.000 1.948 356 A HA -0.308 nan 4.320 nan 0.000 0.220 356 A C 2.130 179.667 177.584 -0.079 0.000 1.177 356 A CA 3.124 55.105 52.037 -0.092 0.000 0.636 356 A CB -0.942 17.990 19.000 -0.112 0.000 0.815 356 A HN 0.111 8.220 8.150 -0.068 0.000 0.449 357 A N -2.100 120.687 122.820 -0.055 0.000 2.067 357 A HA -0.131 nan 4.320 nan 0.000 0.219 357 A C 0.778 178.290 177.584 -0.120 0.000 1.158 357 A CA 2.159 54.152 52.037 -0.073 0.000 0.661 357 A CB -0.041 18.933 19.000 -0.044 0.000 0.801 357 A HN -0.343 7.782 8.150 -0.025 0.010 0.452 358 I N -7.729 112.774 120.570 -0.111 0.000 3.856 358 I HA 0.221 nan 4.170 nan 0.000 0.333 358 I C -0.855 175.148 176.117 -0.190 0.000 1.525 358 I CA -0.636 60.566 61.300 -0.164 0.000 1.173 358 I CB 0.659 38.588 38.000 -0.117 0.000 1.175 358 I HN -0.560 7.444 8.210 -0.069 0.164 0.424 359 R N 1.387 121.778 120.500 -0.182 0.000 2.564 359 R HA 0.511 nan 4.340 nan 0.000 0.282 359 R C -2.646 173.525 176.300 -0.215 0.000 1.573 359 R CA -4.063 51.936 56.100 -0.168 0.000 1.588 359 R CB -0.245 30.002 30.300 -0.088 0.000 1.154 359 R HN -0.609 7.489 8.270 -0.161 0.076 0.606 360 P HA 0.030 nan 4.420 nan 0.000 0.271 360 P C -0.784 176.433 177.300 -0.138 0.000 1.220 360 P CA -0.021 62.820 63.100 -0.432 0.000 0.768 360 P CB 0.309 31.268 31.700 -1.235 0.000 0.848 361 Q N -2.931 116.862 119.800 -0.010 0.000 2.475 361 Q HA -0.404 nan 4.340 nan 0.000 0.280 361 Q C -1.052 174.989 176.000 0.067 0.000 1.234 361 Q CA 0.669 56.527 55.803 0.091 0.000 0.873 361 Q CB -1.689 27.183 28.738 0.224 0.000 1.256 361 Q HN 0.562 8.809 8.270 -0.039 0.000 0.475 362 G N -4.372 104.437 108.800 0.013 0.000 2.708 362 G HA2 0.284 nan 3.960 nan 0.000 0.289 362 G HA3 0.284 nan 3.960 nan 0.000 0.289 362 G C -2.401 172.493 174.900 -0.010 0.000 1.416 362 G CA -0.253 44.856 45.100 0.015 0.000 0.829 362 G HN -0.747 7.528 8.290 -0.018 0.004 0.480 363 E N -0.834 119.362 120.200 -0.007 0.000 2.248 363 E HA 0.201 nan 4.350 nan 0.000 0.267 363 E C -1.278 175.291 176.600 -0.052 0.000 0.877 363 E CA -0.735 55.645 56.400 -0.033 0.000 0.759 363 E CB 1.889 31.577 29.700 -0.021 0.000 1.182 363 E HN 0.189 8.555 8.360 0.011 0.000 0.418 364 I N 1.128 121.629 120.570 -0.115 0.000 2.575 364 I HA -0.031 nan 4.170 nan 0.000 0.285 364 I C 0.284 176.280 176.117 -0.201 0.000 1.085 364 I CA -0.320 60.860 61.300 -0.200 0.000 1.403 364 I CB 1.177 38.939 38.000 -0.397 0.000 1.409 364 I HN 0.047 8.180 8.210 -0.129 0.000 0.557 365 D N 6.516 126.844 120.400 -0.120 0.000 2.696 365 D HA 0.036 nan 4.640 nan 0.000 0.269 365 D C -1.144 175.193 176.300 0.062 0.000 1.319 365 D CA -0.225 53.760 54.000 -0.025 0.000 0.826 365 D CB -0.123 40.711 40.800 0.056 0.000 1.086 365 D HN 0.297 8.664 8.370 -0.005 0.000 0.481 366 F N -4.411 115.523 119.950 -0.028 0.000 2.643 366 F HA 0.465 nan 4.527 nan 0.000 0.314 366 F C -1.062 174.713 175.800 -0.041 0.000 1.096 366 F CA -1.041 56.940 58.000 -0.031 0.000 0.953 366 F CB 2.396 41.375 39.000 -0.035 0.000 1.345 366 F HN -0.731 7.108 8.300 -0.768 0.000 0.468 367 S N -1.633 114.127 115.700 0.100 0.000 2.687 367 S HA 0.064 nan 4.470 nan 0.000 0.247 367 S C 0.123 174.769 174.600 0.077 0.000 1.050 367 S CA 0.214 58.414 58.200 -0.000 0.000 1.063 367 S CB 0.736 63.922 63.200 -0.022 0.000 1.039 367 S HN 0.244 8.674 8.310 0.200 0.000 0.580 368 G N 1.887 110.793 108.800 0.175 0.000 2.502 368 G HA2 0.070 nan 3.960 nan 0.000 0.305 368 G HA3 0.070 nan 3.960 nan 0.000 0.305 368 G C -1.270 173.695 174.900 0.108 0.000 1.190 368 G CA -0.898 44.260 45.100 0.097 0.000 0.933 368 G HN -0.565 7.884 8.290 0.265 0.000 0.503 369 T N 3.065 117.617 114.554 -0.003 0.000 2.928 369 T HA -0.128 nan 4.350 nan 0.000 0.305 369 T C -1.265 173.340 174.700 -0.157 0.000 1.035 369 T CA 2.247 64.311 62.100 -0.060 0.000 1.145 369 T CB 0.290 69.094 68.868 -0.106 0.000 0.963 369 T HN 0.040 8.266 8.240 -0.023 0.000 0.545 370 L N 5.975 127.079 121.223 -0.199 0.000 2.295 370 L HA 0.933 nan 4.340 nan 0.000 0.285 370 L C -2.179 174.437 176.870 -0.423 0.000 1.035 370 L CA -1.122 53.480 54.840 -0.398 0.000 0.806 370 L CB 2.142 43.916 42.059 -0.476 0.000 1.214 370 L HN 0.501 8.670 8.230 -0.101 0.000 0.426 371 I N 5.166 125.317 120.570 -0.697 0.000 2.389 371 I HA 0.564 nan 4.170 nan 0.000 0.288 371 I C -2.100 173.630 176.117 -0.646 0.000 0.999 371 I CA -2.023 58.847 61.300 -0.717 0.000 1.129 371 I CB 0.503 37.852 38.000 -1.086 0.000 1.288 371 I HN 1.062 8.734 8.210 -0.897 0.000 0.444 372 R N 7.468 127.724 120.500 -0.407 0.000 2.312 372 R HA 0.759 nan 4.340 nan 0.000 0.311 372 R C -2.052 174.053 176.300 -0.325 0.000 1.004 372 R CA -1.283 54.610 56.100 -0.344 0.000 0.902 372 R CB 2.100 32.260 30.300 -0.234 0.000 1.073 372 R HN 0.923 8.993 8.270 -0.332 0.000 0.457 373 L N 4.711 125.701 121.223 -0.387 0.000 2.386 373 L HA 0.601 nan 4.340 nan 0.000 0.271 373 L C -2.212 174.588 176.870 -0.117 0.000 0.993 373 L CA -1.424 53.253 54.840 -0.272 0.000 0.819 373 L CB 3.459 45.275 42.059 -0.406 0.000 1.294 373 L HN 0.829 8.753 8.230 -0.509 0.000 0.414 374 H N 4.289 123.370 119.070 0.018 0.000 2.511 374 H HA 0.472 nan 4.556 nan 0.000 0.328 374 H C -1.281 174.165 175.328 0.197 0.000 1.044 374 H CA -2.132 53.964 56.048 0.081 0.000 1.212 374 H CB 2.820 32.633 29.762 0.085 0.000 1.428 374 H HN 0.550 8.850 8.280 0.203 0.102 0.483 375 I N 8.722 129.115 120.570 -0.295 0.000 2.301 375 I HA 0.149 nan 4.170 nan 0.000 0.292 375 I C -0.607 175.389 176.117 -0.202 0.000 1.046 375 I CA -2.090 59.158 61.300 -0.087 0.000 1.282 375 I CB -1.644 36.474 38.000 0.197 0.000 1.409 375 I HN 0.408 8.384 8.210 -0.213 0.107 0.484 376 G N 6.870 115.603 108.800 -0.111 0.000 2.514 376 G HA2 0.354 nan 3.960 nan 0.000 0.245 376 G HA3 0.354 nan 3.960 nan 0.000 0.245 376 G C 0.116 175.048 174.900 0.052 0.000 1.488 376 G CA -0.909 44.256 45.100 0.108 0.000 1.063 376 G HN 0.445 8.650 8.290 -0.142 0.000 0.557 377 L N -1.590 119.663 121.223 0.049 0.000 2.628 377 L HA 0.039 nan 4.340 nan 0.000 0.229 377 L C 0.596 177.449 176.870 -0.029 0.000 1.137 377 L CA -0.137 54.681 54.840 -0.036 0.000 0.909 377 L CB -0.123 41.926 42.059 -0.015 0.000 1.137 377 L HN 0.127 8.329 8.230 0.139 0.111 0.470 378 E N -1.243 118.939 120.200 -0.030 0.000 2.451 378 E HA -0.118 nan 4.350 nan 0.000 0.256 378 E C -0.990 175.578 176.600 -0.053 0.000 1.294 378 E CA 0.204 56.575 56.400 -0.048 0.000 1.005 378 E CB 0.472 30.119 29.700 -0.088 0.000 0.990 378 E HN -0.457 7.820 8.360 -0.026 0.067 0.505 379 D N -0.077 120.292 120.400 -0.051 0.000 2.371 379 D HA -0.103 nan 4.640 nan 0.000 0.256 379 D C 0.941 177.211 176.300 -0.051 0.000 1.193 379 D CA 0.673 54.645 54.000 -0.047 0.000 0.881 379 D CB 1.134 41.908 40.800 -0.042 0.000 1.143 379 D HN 0.176 8.516 8.370 -0.051 0.000 0.473 380 V N 6.256 126.145 119.914 -0.042 0.000 2.324 380 V HA -0.405 nan 4.120 nan 0.000 0.250 380 V C 1.126 177.181 176.094 -0.066 0.000 1.060 380 V CA 3.249 65.528 62.300 -0.036 0.000 1.042 380 V CB 0.127 31.938 31.823 -0.020 0.000 0.650 380 V HN 0.745 8.912 8.190 -0.037 0.000 0.450 381 D N -1.787 118.569 120.400 -0.074 0.000 2.144 381 D HA -0.287 nan 4.640 nan 0.000 0.199 381 D C 2.286 178.527 176.300 -0.098 0.000 0.984 381 D CA 3.832 57.771 54.000 -0.102 0.000 0.834 381 D CB -0.857 39.898 40.800 -0.076 0.000 0.955 381 D HN -0.305 8.156 8.370 -0.059 -0.127 0.465 382 D N 0.352 120.712 120.400 -0.066 0.000 2.144 382 D HA -0.130 nan 4.640 nan 0.000 0.200 382 D C 2.565 178.846 176.300 -0.031 0.000 0.978 382 D CA 2.832 56.802 54.000 -0.050 0.000 0.833 382 D CB -0.186 40.587 40.800 -0.044 0.000 0.961 382 D HN -0.723 7.665 8.370 -0.060 -0.053 0.470 383 L N -0.520 120.686 121.223 -0.029 0.000 2.056 383 L HA -0.326 nan 4.340 nan 0.000 0.207 383 L C 2.029 178.967 176.870 0.115 0.000 1.078 383 L CA 3.079 57.965 54.840 0.077 0.000 0.749 383 L CB -0.132 41.950 42.059 0.037 0.000 0.901 383 L HN -0.507 7.606 8.230 -0.050 0.087 0.433 384 I N -0.889 119.610 120.570 -0.119 0.000 2.226 384 I HA -0.590 nan 4.170 nan 0.000 0.245 384 I C 1.502 177.386 176.117 -0.390 0.000 1.100 384 I CA 4.302 65.319 61.300 -0.471 0.000 1.374 384 I CB -0.407 37.151 38.000 -0.736 0.000 1.057 384 I HN 0.113 8.249 8.210 -0.122 0.000 0.413 385 A N -0.950 121.751 122.820 -0.198 0.000 1.972 385 A HA -0.402 nan 4.320 nan 0.000 0.219 385 A C 1.834 179.399 177.584 -0.032 0.000 1.169 385 A CA 3.456 55.438 52.037 -0.092 0.000 0.635 385 A CB -1.111 17.854 19.000 -0.059 0.000 0.810 385 A HN -0.044 8.001 8.150 -0.174 0.000 0.446 386 D N -1.038 119.371 120.400 0.015 0.000 2.123 386 D HA -0.154 nan 4.640 nan 0.000 0.200 386 D C 2.222 178.501 176.300 -0.034 0.000 0.976 386 D CA 2.638 56.659 54.000 0.035 0.000 0.831 386 D CB 0.071 41.022 40.800 0.251 0.000 0.974 386 D HN -0.674 7.606 8.370 0.033 0.109 0.469 387 L N -0.478 120.801 121.223 0.094 0.000 2.027 387 L HA -0.438 nan 4.340 nan 0.000 0.206 387 L C 1.958 178.868 176.870 0.067 0.000 1.074 387 L CA 3.214 58.091 54.840 0.062 0.000 0.745 387 L CB -0.237 41.908 42.059 0.144 0.000 0.898 387 L HN -0.145 8.083 8.230 0.121 0.074 0.433 388 D N -1.021 119.572 120.400 0.321 0.000 2.133 388 D HA -0.360 nan 4.640 nan 0.000 0.195 388 D C 2.071 178.544 176.300 0.289 0.000 0.997 388 D CA 3.478 57.810 54.000 0.554 0.000 0.840 388 D CB -0.219 40.862 40.800 0.468 0.000 0.947 388 D HN 0.139 8.596 8.370 0.145 0.000 0.452 389 A N -2.043 120.824 122.820 0.078 0.000 1.933 389 A HA -0.174 nan 4.320 nan 0.000 0.218 389 A C 2.394 179.924 177.584 -0.090 0.000 1.175 389 A CA 2.820 54.847 52.037 -0.016 0.000 0.628 389 A CB -0.563 18.374 19.000 -0.106 0.000 0.814 389 A HN -0.274 7.898 8.150 0.035 -0.000 0.444 390 G N -1.539 107.105 108.800 -0.259 0.000 2.402 390 G HA2 -0.258 nan 3.960 nan 0.000 0.216 390 G HA3 -0.258 nan 3.960 nan 0.000 0.216 390 G C 1.433 176.452 174.900 0.199 0.000 1.162 390 G CA 1.622 46.551 45.100 -0.285 0.000 0.777 390 G HN -0.444 7.549 8.290 -0.303 0.115 0.539 391 F N 1.985 122.075 119.950 0.233 0.000 2.095 391 F HA -0.341 nan 4.527 nan 0.000 0.298 391 F C 2.485 178.367 175.800 0.137 0.000 1.104 391 F CA 2.361 60.461 58.000 0.167 0.000 1.232 391 F CB -0.546 38.492 39.000 0.063 0.000 0.987 391 F HN -0.177 8.085 8.300 0.063 0.076 0.475 392 A N -2.694 120.319 122.820 0.322 0.000 2.024 392 A HA -0.285 nan 4.320 nan 0.000 0.220 392 A C 2.279 179.948 177.584 0.142 0.000 1.164 392 A CA 2.922 55.077 52.037 0.197 0.000 0.643 392 A CB -0.969 18.120 19.000 0.148 0.000 0.806 392 A HN 0.040 8.390 8.150 0.334 0.000 0.451 393 R N -1.535 119.051 120.500 0.143 0.000 2.115 393 R HA -0.141 nan 4.340 nan 0.000 0.226 393 R C 0.932 177.312 176.300 0.134 0.000 1.100 393 R CA 2.119 58.288 56.100 0.115 0.000 0.980 393 R CB 0.386 30.743 30.300 0.094 0.000 0.875 393 R HN -0.514 7.689 8.270 0.160 0.163 0.445 394 I N -6.550 114.120 120.570 0.166 0.000 3.914 394 I HA 0.275 nan 4.170 nan 0.000 0.333 394 I C -0.915 175.259 176.117 0.094 0.000 1.449 394 I CA -0.694 60.672 61.300 0.110 0.000 1.135 394 I CB 0.488 38.516 38.000 0.047 0.000 1.073 394 I HN -0.567 7.658 8.210 0.217 0.116 0.401 395 V N 0.000 119.979 119.914 0.108 0.000 2.409 395 V HA 0.000 nan 4.120 nan 0.000 0.244 395 V CA 0.000 62.349 62.300 0.082 0.000 1.235 395 V CB 0.000 31.878 31.823 0.093 0.000 1.184 395 V HN 0.000 8.096 8.190 0.120 0.165 0.556