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 3fw7_1_A DATA FIRST_RESID 23 DATA SEQUENCE AGNDLLScLT FNGVRNHTVF SADSDSDFNR FLHLSIQNPL FQNSLISKPS DATA SEQUENCE AIILPGSKEE LSNTIRcIRK GSWTIRLRSG GASYEGLSYT SDTPFILIDL DATA SEQUENCE MNLNRVSIDL ESETAWVESG STLGELYYAI TESSSKLGFT AGWCPTVGTG DATA SEQUENCE GHISGGGFGM MSRKYGLAAD NVVDAILIDA NGAILDRQAM GEDVFWAIRG DATA SEQUENCE GGGGVWGAIY AWKIKLLPVP EKVTVFRVTK NVAIDEATSL LHKWQFVAEE DATA SEQUENCE LEEDFTLSVL GGADEKQVWL TMLGFHFGLK TVAKSTFDLL FPELGLVEED DATA SEQUENCE YLEMSWGESF AYLAGLETVS QLNNRFLKFD ERAFKTKVDL TKEPLPSKAF DATA SEQUENCE YGLLERLSKE PNGFIALNGF GGQMSKISSD FTPFPHRSGT RLMVEYIVAW DATA SEQUENCE NQSEQKKKTE FLDWLEKVYE FMKPFVSKNP RLGYVNHIDL DLGGIDWGNK DATA SEQUENCE TVVNNAIEIS RSWGESYFLS NYERLIRAKT LIDPNNVFNH PQSIPPMA 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 23 A HA 0.000 nan 4.320 nan 0.000 0.244 23 A C 0.000 177.734 177.584 0.250 0.000 1.274 23 A CA 0.000 52.099 52.037 0.103 0.000 0.836 23 A CB 0.000 19.037 19.000 0.062 0.000 0.831 24 G N -0.237 108.737 108.800 0.289 0.000 2.432 24 G HA2 -0.124 3.832 3.960 -0.006 0.000 0.219 24 G HA3 -0.124 3.832 3.960 -0.006 0.000 0.219 24 G C 0.786 175.731 174.900 0.076 0.000 1.135 24 G CA 1.650 46.888 45.100 0.231 0.000 0.767 24 G HN 0.698 nan 8.290 nan 0.000 0.550 25 N N 0.991 119.729 118.700 0.064 0.000 2.244 25 N HA -0.008 4.729 4.740 -0.006 0.000 0.183 25 N C 1.581 177.105 175.510 0.023 0.000 1.016 25 N CA 1.165 54.231 53.050 0.026 0.000 0.866 25 N CB -0.133 38.370 38.487 0.026 0.000 0.980 25 N HN 0.173 nan 8.380 nan 0.000 0.430 26 D N 0.141 120.569 120.400 0.047 0.000 2.097 26 D HA -0.093 4.543 4.640 -0.006 0.000 0.197 26 D C 1.882 178.206 176.300 0.039 0.000 0.984 26 D CA 0.415 54.438 54.000 0.038 0.000 0.826 26 D CB -0.415 40.413 40.800 0.046 0.000 0.973 26 D HN 0.091 nan 8.370 nan 0.000 0.460 27 L N 0.595 121.861 121.223 0.072 0.000 2.013 27 L HA -0.144 4.192 4.340 -0.006 0.000 0.212 27 L C 1.993 178.824 176.870 -0.065 0.000 1.073 27 L CA 1.519 56.374 54.840 0.024 0.000 0.753 27 L CB -0.690 41.364 42.059 -0.009 0.000 0.890 27 L HN 0.074 nan 8.230 nan 0.000 0.432 28 L N -0.859 120.299 121.223 -0.108 0.000 2.042 28 L HA -0.200 4.136 4.340 -0.006 0.000 0.210 28 L C 2.527 179.354 176.870 -0.071 0.000 1.076 28 L CA 2.086 56.812 54.840 -0.190 0.000 0.749 28 L CB -1.137 40.824 42.059 -0.163 0.000 0.893 28 L HN 0.411 nan 8.230 nan 0.000 0.432 29 S N -1.226 114.466 115.700 -0.013 0.000 2.368 29 S HA -0.235 4.232 4.470 -0.006 0.000 0.225 29 S C 2.104 176.744 174.600 0.067 0.000 1.030 29 S CA 1.401 59.620 58.200 0.032 0.000 0.999 29 S CB -0.710 62.500 63.200 0.016 0.000 0.844 29 S HN 0.664 nan 8.310 nan 0.000 0.459 30 c N 1.724 120.347 118.600 0.039 0.000 2.429 30 c HA 0.028 4.594 4.570 -0.006 0.000 0.277 30 c C 2.441 176.604 174.090 0.122 0.000 1.262 30 c CA 0.534 56.906 56.329 0.071 0.000 1.733 30 c CB -1.596 40.936 42.510 0.036 0.000 2.010 30 c HN 0.562 nan 8.230 nan 0.000 0.483 31 L N 0.382 121.639 121.223 0.057 0.000 2.017 31 L HA -0.123 4.213 4.340 -0.006 0.000 0.208 31 L C 2.819 179.759 176.870 0.116 0.000 1.073 31 L CA 2.162 57.043 54.840 0.067 0.000 0.745 31 L CB -1.107 40.952 42.059 -0.001 0.000 0.894 31 L HN 0.344 nan 8.230 nan 0.000 0.432 32 T N -0.233 114.396 114.554 0.126 0.000 2.708 32 T HA -0.247 4.099 4.350 -0.006 0.000 0.266 32 T C 1.628 176.404 174.700 0.126 0.000 1.037 32 T CA 1.568 63.749 62.100 0.134 0.000 1.146 32 T CB -0.447 68.499 68.868 0.130 0.000 0.865 32 T HN 0.236 nan 8.240 nan 0.000 0.435 33 F N 2.395 122.359 119.950 0.022 0.000 2.202 33 F HA -0.065 4.458 4.527 -0.006 0.000 0.301 33 F C 1.835 177.643 175.800 0.013 0.000 1.082 33 F CA 1.030 59.039 58.000 0.015 0.000 1.313 33 F CB -0.226 38.781 39.000 0.011 0.000 1.024 33 F HN 0.104 nan 8.300 nan 0.000 0.495 34 N N -0.101 118.665 118.700 0.110 0.000 2.280 34 N HA 0.113 4.849 4.740 -0.006 0.000 0.192 34 N C 1.248 176.746 175.510 -0.020 0.000 1.109 34 N CA 0.877 53.942 53.050 0.026 0.000 0.855 34 N CB 0.374 38.926 38.487 0.108 0.000 0.974 34 N HN 0.417 nan 8.380 nan 0.000 0.482 35 G N 0.723 109.513 108.800 -0.017 0.000 2.136 35 G HA2 -0.246 3.710 3.960 -0.006 0.000 0.242 35 G HA3 -0.246 3.710 3.960 -0.006 0.000 0.242 35 G C -0.082 174.826 174.900 0.012 0.000 0.989 35 G CA -0.051 45.038 45.100 -0.018 0.000 0.682 35 G HN 0.159 nan 8.290 nan 0.000 0.522 36 V N 1.124 121.069 119.914 0.052 0.000 2.348 36 V HA 0.483 4.599 4.120 -0.006 0.000 0.270 36 V C 1.263 177.430 176.094 0.120 0.000 1.037 36 V CA -0.581 61.763 62.300 0.072 0.000 0.872 36 V CB 1.294 33.171 31.823 0.090 0.000 1.002 36 V HN 0.254 nan 8.190 nan 0.000 0.464 37 R N 2.079 122.587 120.500 0.013 0.000 2.279 37 R HA 0.174 4.510 4.340 -0.006 0.000 0.195 37 R C 0.801 176.870 176.300 -0.386 0.000 0.905 37 R CA -0.006 56.022 56.100 -0.120 0.000 1.044 37 R CB -0.074 30.174 30.300 -0.087 0.000 1.056 37 R HN 0.527 nan 8.270 nan 0.000 0.535 38 N N 2.487 121.061 118.700 -0.209 0.000 2.663 38 N HA -0.000 4.736 4.740 -0.006 0.000 0.250 38 N C -1.215 174.195 175.510 -0.167 0.000 1.129 38 N CA 0.102 53.018 53.050 -0.224 0.000 0.995 38 N CB -0.200 38.203 38.487 -0.141 0.000 1.324 38 N HN 0.263 nan 8.380 nan 0.000 0.512 39 H N -1.344 117.713 119.070 -0.020 0.000 2.961 39 H HA 0.628 5.180 4.556 -0.006 0.000 0.371 39 H C -1.123 174.234 175.328 0.049 0.000 1.190 39 H CA -0.841 55.202 56.048 -0.009 0.000 1.138 39 H CB 1.052 30.804 29.762 -0.016 0.000 1.816 39 H HN -0.051 nan 8.280 nan 0.000 0.551 40 T N 1.829 116.543 114.554 0.267 0.000 3.011 40 T HA 0.337 4.683 4.350 -0.006 0.000 0.303 40 T C -0.794 174.066 174.700 0.266 0.000 0.997 40 T CA -0.691 61.581 62.100 0.287 0.000 1.007 40 T CB 1.646 70.753 68.868 0.399 0.000 1.017 40 T HN 0.638 nan 8.240 nan 0.000 0.443 41 V N 4.213 124.208 119.914 0.134 0.000 2.953 41 V HA 0.566 4.682 4.120 -0.006 0.000 0.304 41 V C 0.161 176.085 176.094 -0.283 0.000 1.073 41 V CA -0.774 61.517 62.300 -0.014 0.000 1.064 41 V CB 0.540 32.346 31.823 -0.028 0.000 1.047 41 V HN 0.809 nan 8.190 nan 0.000 0.478 42 F N 5.609 125.111 119.950 -0.747 0.000 2.629 42 F HA 0.345 4.868 4.527 -0.006 0.000 0.377 42 F C 0.504 175.817 175.800 -0.812 0.000 1.101 42 F CA 0.860 57.957 58.000 -1.505 0.000 1.301 42 F CB 0.408 38.896 39.000 -0.853 0.000 1.062 42 F HN 0.613 nan 8.300 nan 0.000 0.583 43 S N 4.068 118.717 115.700 -1.752 0.000 2.540 43 S HA 0.728 5.195 4.470 -0.006 0.000 0.275 43 S C 0.051 173.992 174.600 -1.098 0.000 1.123 43 S CA -0.489 57.095 58.200 -1.025 0.000 0.907 43 S CB 1.485 64.442 63.200 -0.404 0.000 1.081 43 S HN 0.995 nan 8.310 nan 0.000 0.476 44 A N 0.499 122.958 122.820 -0.602 0.000 2.123 44 A HA 0.178 4.494 4.320 -0.006 0.000 0.214 44 A C 0.794 178.298 177.584 -0.133 0.000 1.152 44 A CA 0.535 52.414 52.037 -0.263 0.000 0.728 44 A CB -0.634 18.349 19.000 -0.027 0.000 0.814 44 A HN 0.845 nan 8.150 nan 0.000 0.464 45 D N 0.742 121.059 120.400 -0.140 0.000 2.402 45 D HA 0.072 4.708 4.640 -0.006 0.000 0.268 45 D C 1.600 177.871 176.300 -0.049 0.000 1.294 45 D CA 0.780 54.736 54.000 -0.074 0.000 0.945 45 D CB 0.529 41.286 40.800 -0.072 0.000 1.112 45 D HN 0.334 nan 8.370 nan 0.000 0.517 46 S N 2.973 118.659 115.700 -0.024 0.000 2.392 46 S HA -0.292 4.174 4.470 -0.006 0.000 0.232 46 S C 0.879 175.467 174.600 -0.021 0.000 1.041 46 S CA 1.461 59.657 58.200 -0.007 0.000 1.026 46 S CB -0.207 62.987 63.200 -0.008 0.000 0.845 46 S HN 0.601 nan 8.310 nan 0.000 0.465 47 D N 1.715 122.092 120.400 -0.039 0.000 2.463 47 D HA 0.258 4.894 4.640 -0.006 0.000 0.224 47 D C 0.550 176.809 176.300 -0.069 0.000 1.174 47 D CA 0.032 53.997 54.000 -0.059 0.000 0.829 47 D CB -0.267 40.496 40.800 -0.063 0.000 0.993 47 D HN 0.509 nan 8.370 nan 0.000 0.497 48 S N -0.254 115.415 115.700 -0.052 0.000 2.576 48 S HA -0.018 4.449 4.470 -0.006 0.000 0.272 48 S C 0.835 175.381 174.600 -0.092 0.000 1.352 48 S CA -0.401 57.767 58.200 -0.053 0.000 1.021 48 S CB 1.192 64.375 63.200 -0.028 0.000 0.887 48 S HN -0.061 nan 8.310 nan 0.000 0.542 49 D N 0.602 120.930 120.400 -0.120 0.000 2.149 49 D HA -0.099 4.538 4.640 -0.006 0.000 0.198 49 D C 1.348 177.483 176.300 -0.275 0.000 0.990 49 D CA 1.145 54.968 54.000 -0.296 0.000 0.839 49 D CB -0.497 40.171 40.800 -0.221 0.000 0.948 49 D HN 0.637 nan 8.370 nan 0.000 0.460 50 F N 2.220 122.089 119.950 -0.135 0.000 2.065 50 F HA -0.241 4.283 4.527 -0.006 0.000 0.298 50 F C 1.877 177.657 175.800 -0.033 0.000 1.112 50 F CA 1.449 59.438 58.000 -0.019 0.000 1.212 50 F CB -0.303 38.657 39.000 -0.067 0.000 0.975 50 F HN -0.158 nan 8.300 nan 0.000 0.476 51 N N 0.451 119.124 118.700 -0.046 0.000 2.223 51 N HA -0.175 4.561 4.740 -0.006 0.000 0.185 51 N C 2.025 177.491 175.510 -0.073 0.000 1.016 51 N CA 1.141 54.144 53.050 -0.077 0.000 0.863 51 N CB -0.513 38.047 38.487 0.121 0.000 0.983 51 N HN 0.408 nan 8.380 nan 0.000 0.429 52 R N -0.193 120.197 120.500 -0.183 0.000 2.066 52 R HA -0.052 4.284 4.340 -0.006 0.000 0.232 52 R C 1.683 177.851 176.300 -0.220 0.000 1.131 52 R CA 1.197 57.152 56.100 -0.242 0.000 0.955 52 R CB -0.212 29.847 30.300 -0.400 0.000 0.851 52 R HN 0.025 nan 8.270 nan 0.000 0.432 53 F N 0.737 120.581 119.950 -0.177 0.000 2.171 53 F HA -0.151 4.372 4.527 -0.007 0.000 0.300 53 F C 2.076 177.722 175.800 -0.258 0.000 1.090 53 F CA 0.723 58.606 58.000 -0.195 0.000 1.293 53 F CB -0.903 38.002 39.000 -0.158 0.000 1.013 53 F HN 0.113 nan 8.300 nan 0.000 0.486 54 L N -0.278 120.808 121.223 -0.228 0.000 1.994 54 L HA -0.218 4.118 4.340 -0.006 0.000 0.208 54 L C 2.435 179.088 176.870 -0.362 0.000 1.071 54 L CA 2.113 56.722 54.840 -0.385 0.000 0.745 54 L CB -1.054 40.612 42.059 -0.656 0.000 0.892 54 L HN 0.182 nan 8.230 nan 0.000 0.431 55 H N -1.220 117.738 119.070 -0.186 0.000 2.547 55 H HA 0.010 4.562 4.556 -0.007 0.000 0.272 55 H C 2.074 177.301 175.328 -0.169 0.000 0.989 55 H CA 0.835 56.782 56.048 -0.169 0.000 1.214 55 H CB 0.259 29.942 29.762 -0.132 0.000 1.389 55 H HN 0.270 nan 8.280 nan 0.000 0.577 56 L N 0.581 121.748 121.223 -0.093 0.000 2.079 56 L HA -0.098 4.238 4.340 -0.006 0.000 0.210 56 L C 1.055 177.868 176.870 -0.095 0.000 1.081 56 L CA 1.616 56.324 54.840 -0.220 0.000 0.752 56 L CB -0.019 41.861 42.059 -0.298 0.000 0.896 56 L HN -0.084 nan 8.230 nan 0.000 0.433 57 S N -0.645 115.047 115.700 -0.012 0.000 2.592 57 S HA 0.414 4.880 4.470 -0.006 0.000 0.243 57 S C 0.082 174.634 174.600 -0.081 0.000 1.160 57 S CA -0.410 57.841 58.200 0.085 0.000 1.145 57 S CB -0.044 63.253 63.200 0.162 0.000 0.909 57 S HN 0.110 nan 8.310 nan 0.000 0.487 58 I N 2.201 122.682 120.570 -0.149 0.000 2.330 58 I HA 0.241 4.407 4.170 -0.006 0.000 0.286 58 I C 1.026 177.158 176.117 0.026 0.000 1.025 58 I CA -0.180 60.972 61.300 -0.247 0.000 1.197 58 I CB 1.296 39.083 38.000 -0.355 0.000 1.358 58 I HN 0.227 nan 8.210 nan 0.000 0.467 59 Q N 3.005 122.887 119.800 0.136 0.000 2.392 59 Q HA 0.088 4.424 4.340 -0.006 0.000 0.203 59 Q C 0.262 176.422 176.000 0.266 0.000 0.917 59 Q CA 0.338 56.261 55.803 0.201 0.000 0.939 59 Q CB 0.281 29.153 28.738 0.224 0.000 1.063 59 Q HN 0.468 nan 8.270 nan 0.000 0.516 60 N N 0.875 119.727 118.700 0.253 0.000 2.564 60 N HA 0.171 4.907 4.740 -0.006 0.000 0.248 60 N C -2.305 173.245 175.510 0.067 0.000 0.986 60 N CA -2.199 50.924 53.050 0.120 0.000 0.921 60 N CB 1.576 40.039 38.487 -0.039 0.000 1.136 60 N HN -0.218 nan 8.380 nan 0.000 0.509 61 P HA -0.133 nan 4.420 nan 0.000 0.222 61 P C 1.480 178.719 177.300 -0.103 0.000 1.142 61 P CA 0.397 63.478 63.100 -0.033 0.000 0.788 61 P CB 0.397 32.050 31.700 -0.079 0.000 0.767 62 L N -1.566 119.485 121.223 -0.286 0.000 2.127 62 L HA -0.076 4.260 4.340 -0.006 0.000 0.211 62 L C 1.081 177.651 176.870 -0.501 0.000 1.089 62 L CA 1.822 56.372 54.840 -0.482 0.000 0.757 62 L CB -1.037 40.520 42.059 -0.837 0.000 0.899 62 L HN -0.118 nan 8.230 nan 0.000 0.434 63 F N -1.345 118.654 119.950 0.081 0.000 2.925 63 F HA 0.332 4.855 4.527 -0.007 0.000 0.302 63 F C 1.687 177.615 175.800 0.214 0.000 1.189 63 F CA -0.082 58.017 58.000 0.164 0.000 1.346 63 F CB -0.201 38.936 39.000 0.227 0.000 0.954 63 F HN 0.115 nan 8.300 nan 0.000 0.506 64 Q N 0.241 120.193 119.800 0.253 0.000 2.189 64 Q HA 0.090 4.426 4.340 -0.006 0.000 0.223 64 Q C 0.739 176.895 176.000 0.260 0.000 0.828 64 Q CA -0.192 55.777 55.803 0.276 0.000 0.967 64 Q CB 0.445 29.306 28.738 0.206 0.000 1.139 64 Q HN 0.493 nan 8.270 nan 0.000 0.497 65 N N -0.964 117.850 118.700 0.190 0.000 2.285 65 N HA -0.061 4.675 4.740 -0.006 0.000 0.262 65 N C 0.669 176.292 175.510 0.188 0.000 1.299 65 N CA 0.570 53.715 53.050 0.157 0.000 0.930 65 N CB 0.302 38.859 38.487 0.117 0.000 1.157 65 N HN -0.038 nan 8.380 nan 0.000 0.532 66 S N -1.748 114.045 115.700 0.154 0.000 2.593 66 S HA 0.090 4.557 4.470 -0.006 0.000 0.217 66 S C 1.187 175.883 174.600 0.159 0.000 0.966 66 S CA -0.137 58.163 58.200 0.166 0.000 0.914 66 S CB -0.372 62.908 63.200 0.134 0.000 0.776 66 S HN 0.417 nan 8.310 nan 0.000 0.523 67 L N 0.503 121.814 121.223 0.146 0.000 2.375 67 L HA 0.466 4.802 4.340 -0.006 0.000 0.215 67 L C 0.445 177.407 176.870 0.153 0.000 1.108 67 L CA 0.383 55.302 54.840 0.132 0.000 0.830 67 L CB -0.550 41.574 42.059 0.108 0.000 0.959 67 L HN 0.258 nan 8.230 nan 0.000 0.457 68 I N -0.226 120.456 120.570 0.187 0.000 2.696 68 I HA -0.002 4.164 4.170 -0.006 0.000 0.284 68 I C 1.088 177.342 176.117 0.228 0.000 1.129 68 I CA 0.145 61.573 61.300 0.213 0.000 1.410 68 I CB 0.625 38.786 38.000 0.268 0.000 1.399 68 I HN 0.155 nan 8.210 nan 0.000 0.579 69 S N 6.161 121.997 115.700 0.227 0.000 2.558 69 S HA 0.163 4.629 4.470 -0.006 0.000 0.291 69 S C -0.270 174.577 174.600 0.412 0.000 1.306 69 S CA -0.384 57.994 58.200 0.296 0.000 1.056 69 S CB 0.343 63.725 63.200 0.304 0.000 0.836 69 S HN 0.451 nan 8.310 nan 0.000 0.504 70 K N 1.975 122.601 120.400 0.376 0.000 2.375 70 K HA 0.520 4.836 4.320 -0.006 0.000 0.249 70 K C -3.053 173.539 176.600 -0.012 0.000 0.942 70 K CA -2.352 54.144 56.287 0.348 0.000 0.806 70 K CB 1.526 34.291 32.500 0.443 0.000 1.227 70 K HN 0.376 nan 8.250 nan 0.000 0.430 71 P HA 0.120 nan 4.420 nan 0.000 0.269 71 P C 0.241 177.414 177.300 -0.211 0.000 1.209 71 P CA 0.011 62.654 63.100 -0.762 0.000 0.776 71 P CB 0.590 32.119 31.700 -0.286 0.000 0.876 72 S N 0.340 115.835 115.700 -0.343 0.000 2.428 72 S HA 0.214 4.680 4.470 -0.006 0.000 0.230 72 S C 0.791 175.281 174.600 -0.183 0.000 1.014 72 S CA 1.023 59.089 58.200 -0.223 0.000 0.957 72 S CB -0.153 62.924 63.200 -0.205 0.000 0.784 72 S HN 0.757 nan 8.310 nan 0.000 0.499 73 A N 0.274 122.996 122.820 -0.163 0.000 2.612 73 A HA 0.741 5.057 4.320 -0.006 0.000 0.293 73 A C -1.674 175.946 177.584 0.060 0.000 1.075 73 A CA -0.734 51.293 52.037 -0.018 0.000 0.680 73 A CB 0.889 19.778 19.000 -0.184 0.000 1.279 73 A HN 0.192 nan 8.150 nan 0.000 0.411 74 I N 1.258 121.921 120.570 0.156 0.000 2.436 74 I HA 0.467 4.633 4.170 -0.006 0.000 0.289 74 I C -0.977 175.169 176.117 0.047 0.000 1.010 74 I CA -0.335 61.016 61.300 0.084 0.000 1.098 74 I CB 1.716 39.761 38.000 0.076 0.000 1.266 74 I HN 0.478 nan 8.210 nan 0.000 0.434 75 I N 6.837 127.414 120.570 0.013 0.000 2.433 75 I HA 0.344 4.510 4.170 -0.006 0.000 0.292 75 I C -0.903 175.201 176.117 -0.022 0.000 1.001 75 I CA -0.691 60.620 61.300 0.018 0.000 1.119 75 I CB 1.997 40.012 38.000 0.025 0.000 1.289 75 I HN 0.331 nan 8.210 nan 0.000 0.438 76 L N 8.368 129.557 121.223 -0.057 0.000 2.387 76 L HA 0.422 4.758 4.340 -0.006 0.000 0.259 76 L C -2.322 174.526 176.870 -0.036 0.000 1.050 76 L CA -1.316 53.477 54.840 -0.079 0.000 0.922 76 L CB 0.442 42.391 42.059 -0.183 0.000 1.280 76 L HN 0.299 nan 8.230 nan 0.000 0.449 77 P HA 0.179 nan 4.420 nan 0.000 0.269 77 P C 0.743 178.056 177.300 0.022 0.000 1.209 77 P CA -0.084 63.028 63.100 0.019 0.000 0.776 77 P CB 1.055 32.781 31.700 0.043 0.000 0.876 78 G N 0.046 108.857 108.800 0.018 0.000 3.377 78 G HA2 0.348 4.304 3.960 -0.006 0.000 0.257 78 G HA3 0.348 4.304 3.960 -0.006 0.000 0.257 78 G C -0.142 174.785 174.900 0.044 0.000 1.038 78 G CA 0.109 45.224 45.100 0.025 0.000 0.809 78 G HN 0.677 nan 8.290 nan 0.000 0.526 79 S N -1.042 114.682 115.700 0.040 0.000 2.611 79 S HA 0.329 4.795 4.470 -0.006 0.000 0.268 79 S C 0.852 175.391 174.600 -0.101 0.000 1.156 79 S CA -0.215 57.989 58.200 0.007 0.000 0.817 79 S CB 1.277 64.450 63.200 -0.046 0.000 1.122 79 S HN 0.170 nan 8.310 nan 0.000 0.466 80 K N 0.460 120.615 120.400 -0.408 0.000 2.097 80 K HA -0.058 4.258 4.320 -0.006 0.000 0.206 80 K C 1.188 177.623 176.600 -0.275 0.000 1.049 80 K CA 1.788 57.706 56.287 -0.614 0.000 0.933 80 K CB -0.444 31.393 32.500 -1.106 0.000 0.717 80 K HN 0.563 nan 8.250 nan 0.000 0.442 81 E N 1.457 121.537 120.200 -0.200 0.000 2.072 81 E HA -0.122 4.224 4.350 -0.006 0.000 0.191 81 E C 1.911 178.473 176.600 -0.064 0.000 0.985 81 E CA 1.358 57.689 56.400 -0.115 0.000 0.801 81 E CB 0.019 29.662 29.700 -0.094 0.000 0.750 81 E HN 0.421 nan 8.360 nan 0.000 0.452 82 E N -0.013 120.156 120.200 -0.052 0.000 2.110 82 E HA -0.178 4.168 4.350 -0.006 0.000 0.193 82 E C 1.923 178.525 176.600 0.004 0.000 0.988 82 E CA 0.591 56.983 56.400 -0.013 0.000 0.804 82 E CB -0.050 29.647 29.700 -0.005 0.000 0.745 82 E HN 0.110 nan 8.360 nan 0.000 0.458 83 L N 0.746 121.968 121.223 -0.003 0.000 2.056 83 L HA -0.149 4.188 4.340 -0.006 0.000 0.207 83 L C 2.378 179.267 176.870 0.032 0.000 1.078 83 L CA 1.853 56.711 54.840 0.030 0.000 0.749 83 L CB -0.807 41.282 42.059 0.051 0.000 0.901 83 L HN -0.032 nan 8.230 nan 0.000 0.433 84 S N -0.316 115.382 115.700 -0.003 0.000 2.359 84 S HA -0.204 4.262 4.470 -0.006 0.000 0.224 84 S C 1.874 176.493 174.600 0.031 0.000 1.035 84 S CA 1.686 59.893 58.200 0.011 0.000 1.018 84 S CB -0.411 62.775 63.200 -0.025 0.000 0.876 84 S HN 0.644 nan 8.310 nan 0.000 0.448 85 N N 0.664 119.378 118.700 0.022 0.000 2.244 85 N HA -0.028 4.708 4.740 -0.006 0.000 0.183 85 N C 1.776 177.314 175.510 0.047 0.000 1.016 85 N CA 1.553 54.626 53.050 0.038 0.000 0.866 85 N CB -1.134 37.374 38.487 0.034 0.000 0.980 85 N HN 0.457 nan 8.380 nan 0.000 0.430 86 T N 1.874 116.455 114.554 0.044 0.000 2.684 86 T HA -0.022 4.325 4.350 -0.006 0.000 0.267 86 T C 2.123 176.853 174.700 0.049 0.000 1.036 86 T CA 0.775 62.901 62.100 0.043 0.000 1.148 86 T CB -0.178 68.717 68.868 0.045 0.000 0.863 86 T HN 0.165 nan 8.240 nan 0.000 0.436 87 I N 0.538 121.151 120.570 0.071 0.000 2.179 87 I HA -0.184 3.982 4.170 -0.006 0.000 0.242 87 I C 2.792 178.945 176.117 0.060 0.000 1.088 87 I CA 1.325 62.675 61.300 0.083 0.000 1.357 87 I CB -0.301 37.790 38.000 0.152 0.000 1.051 87 I HN 0.136 nan 8.210 nan 0.000 0.409 88 R N -0.216 120.320 120.500 0.060 0.000 2.096 88 R HA -0.200 4.136 4.340 -0.006 0.000 0.240 88 R C 2.410 178.739 176.300 0.050 0.000 1.139 88 R CA 1.893 58.024 56.100 0.052 0.000 0.952 88 R CB -0.732 29.600 30.300 0.052 0.000 0.854 88 R HN 0.431 nan 8.270 nan 0.000 0.436 89 c N 0.255 118.886 118.600 0.052 0.000 2.466 89 c HA 0.007 4.573 4.570 -0.006 0.000 0.278 89 c C 2.544 176.678 174.090 0.072 0.000 1.288 89 c CA 0.258 56.620 56.329 0.053 0.000 1.722 89 c CB -0.644 41.892 42.510 0.043 0.000 2.017 89 c HN 0.437 nan 8.230 nan 0.000 0.488 90 I N 0.566 121.177 120.570 0.067 0.000 2.361 90 I HA -0.200 3.966 4.170 -0.006 0.000 0.251 90 I C 2.680 178.900 176.117 0.172 0.000 1.133 90 I CA 1.387 62.761 61.300 0.123 0.000 1.413 90 I CB -0.451 37.587 38.000 0.063 0.000 1.073 90 I HN 0.344 nan 8.210 nan 0.000 0.424 91 R N 0.834 121.381 120.500 0.079 0.000 2.189 91 R HA -0.115 4.221 4.340 -0.006 0.000 0.223 91 R C 1.956 178.280 176.300 0.041 0.000 1.092 91 R CA 0.820 56.944 56.100 0.041 0.000 0.989 91 R CB -0.188 30.116 30.300 0.006 0.000 0.876 91 R HN 0.386 nan 8.270 nan 0.000 0.457 92 K N 0.082 120.516 120.400 0.057 0.000 2.439 92 K HA -0.011 4.306 4.320 -0.006 0.000 0.197 92 K C 1.216 177.836 176.600 0.032 0.000 1.041 92 K CA 0.686 56.994 56.287 0.035 0.000 0.970 92 K CB 0.214 32.733 32.500 0.031 0.000 0.773 92 K HN 0.162 nan 8.250 nan 0.000 0.479 93 G N 0.192 109.040 108.800 0.081 0.000 2.702 93 G HA2 0.130 4.086 3.960 -0.006 0.000 0.254 93 G HA3 0.130 4.086 3.960 -0.006 0.000 0.254 93 G C 0.113 174.927 174.900 -0.144 0.000 1.380 93 G CA -0.394 44.686 45.100 -0.034 0.000 1.042 93 G HN 0.127 nan 8.290 nan 0.000 0.557 94 S N -1.650 113.807 115.700 -0.405 0.000 2.664 94 S HA 0.197 4.663 4.470 -0.006 0.000 0.245 94 S C -0.436 174.016 174.600 -0.246 0.000 1.019 94 S CA -0.745 57.285 58.200 -0.284 0.000 0.996 94 S CB -0.281 62.754 63.200 -0.275 0.000 0.878 94 S HN 0.438 nan 8.310 nan 0.000 0.493 95 W N 2.266 123.559 121.300 -0.012 0.000 2.137 95 W HA 0.414 5.071 4.660 -0.006 0.000 0.344 95 W C 0.489 177.014 176.519 0.011 0.000 1.286 95 W CA -0.458 56.894 57.345 0.011 0.000 1.240 95 W CB 0.113 29.579 29.460 0.010 0.000 1.141 95 W HN -0.072 nan 8.180 nan 0.000 0.579 96 T N 3.773 118.515 114.554 0.313 0.000 2.817 96 T HA 0.348 4.694 4.350 -0.006 0.000 0.293 96 T C 0.114 174.944 174.700 0.217 0.000 0.964 96 T CA -0.516 61.699 62.100 0.192 0.000 1.085 96 T CB 0.306 69.280 68.868 0.177 0.000 0.921 96 T HN 0.113 nan 8.240 nan 0.000 0.502 97 I N 3.874 124.490 120.570 0.076 0.000 2.441 97 I HA 0.303 4.469 4.170 -0.006 0.000 0.287 97 I C 0.668 176.863 176.117 0.131 0.000 1.049 97 I CA -0.421 60.928 61.300 0.081 0.000 1.381 97 I CB 0.521 38.483 38.000 -0.063 0.000 1.409 97 I HN 0.240 nan 8.210 nan 0.000 0.523 98 R N 7.043 127.664 120.500 0.202 0.000 2.480 98 R HA 0.589 4.925 4.340 -0.006 0.000 0.306 98 R C -1.136 175.273 176.300 0.180 0.000 0.958 98 R CA -0.860 55.346 56.100 0.176 0.000 0.861 98 R CB 1.871 32.289 30.300 0.197 0.000 1.171 98 R HN 0.547 nan 8.270 nan 0.000 0.445 99 L N 2.885 124.205 121.223 0.162 0.000 2.295 99 L HA 0.588 4.924 4.340 -0.006 0.000 0.285 99 L C 0.403 177.348 176.870 0.126 0.000 1.035 99 L CA -0.658 54.273 54.840 0.151 0.000 0.806 99 L CB 1.457 43.611 42.059 0.159 0.000 1.214 99 L HN 0.311 nan 8.230 nan 0.000 0.426 100 R N 1.459 122.035 120.500 0.126 0.000 2.575 100 R HA 0.511 4.847 4.340 -0.006 0.000 0.293 100 R C -0.570 175.795 176.300 0.109 0.000 0.983 100 R CA -0.170 56.008 56.100 0.129 0.000 0.887 100 R CB 2.092 32.490 30.300 0.163 0.000 1.184 100 R HN 0.744 nan 8.270 nan 0.000 0.445 101 S N 1.571 117.334 115.700 0.105 0.000 2.826 101 S HA 0.169 4.636 4.470 -0.006 0.000 0.193 101 S C 1.273 175.923 174.600 0.084 0.000 0.838 101 S CA 0.389 58.643 58.200 0.090 0.000 0.844 101 S CB 0.212 63.471 63.200 0.098 0.000 0.816 101 S HN 0.791 nan 8.310 nan 0.000 0.626 102 G N -0.252 108.597 108.800 0.083 0.000 2.662 102 G HA2 0.387 4.343 3.960 -0.006 0.000 0.212 102 G HA3 0.387 4.343 3.960 -0.006 0.000 0.212 102 G C 0.968 175.935 174.900 0.112 0.000 1.141 102 G CA 0.543 45.686 45.100 0.073 0.000 0.797 102 G HN 1.036 nan 8.290 nan 0.000 0.531 103 G N -0.553 108.331 108.800 0.140 0.000 2.153 103 G HA2 -0.027 3.929 3.960 -0.006 0.000 0.252 103 G HA3 -0.027 3.929 3.960 -0.006 0.000 0.252 103 G C 1.092 176.132 174.900 0.232 0.000 0.994 103 G CA 0.777 46.001 45.100 0.207 0.000 0.698 103 G HN 1.251 nan 8.290 nan 0.000 0.521 104 A N -0.098 122.815 122.820 0.155 0.000 2.238 104 A HA 0.615 4.931 4.320 -0.006 0.000 0.208 104 A C 1.571 179.226 177.584 0.117 0.000 1.177 104 A CA 1.535 53.667 52.037 0.158 0.000 0.804 104 A CB -0.105 18.953 19.000 0.096 0.000 0.823 104 A HN 1.781 nan 8.150 nan 0.000 0.482 105 S N -0.363 115.367 115.700 0.050 0.000 2.702 105 S HA -0.047 4.419 4.470 -0.006 0.000 0.314 105 S C 0.922 175.557 174.600 0.058 0.000 1.244 105 S CA -0.189 57.969 58.200 -0.070 0.000 1.058 105 S CB -0.152 62.943 63.200 -0.175 0.000 0.783 105 S HN 0.428 nan 8.310 nan 0.000 0.503 106 Y N 2.782 123.080 120.300 -0.004 0.000 2.333 106 Y HA 0.004 4.550 4.550 -0.006 0.000 0.290 106 Y C 2.168 178.076 175.900 0.013 0.000 1.144 106 Y CA 0.904 59.036 58.100 0.052 0.000 1.228 106 Y CB -0.062 38.435 38.460 0.062 0.000 0.985 106 Y HN 0.691 nan 8.280 nan 0.000 0.542 107 E N -1.261 118.921 120.200 -0.031 0.000 2.548 107 E HA 0.212 4.558 4.350 -0.006 0.000 0.206 107 E C 1.322 177.271 176.600 -1.087 0.000 1.005 107 E CA 0.484 56.693 56.400 -0.318 0.000 0.951 107 E CB 0.252 29.842 29.700 -0.184 0.000 1.035 107 E HN 0.373 nan 8.360 nan 0.000 0.470 108 G N 2.060 110.272 108.800 -0.981 0.000 2.225 108 G HA2 -0.300 3.656 3.960 -0.006 0.000 0.267 108 G HA3 -0.300 3.656 3.960 -0.006 0.000 0.267 108 G C 0.906 175.082 174.900 -1.207 0.000 1.024 108 G CA 0.531 44.821 45.100 -1.349 0.000 0.784 108 G HN 0.362 nan 8.290 nan 0.000 0.507 109 L N 0.630 121.415 121.223 -0.731 0.000 2.478 109 L HA 0.014 4.350 4.340 -0.006 0.000 0.223 109 L C 2.726 179.330 176.870 -0.443 0.000 1.140 109 L CA 1.427 55.932 54.840 -0.557 0.000 0.842 109 L CB -0.240 41.525 42.059 -0.490 0.000 0.953 109 L HN 0.516 nan 8.230 nan 0.000 0.452 110 S N -0.684 114.779 115.700 -0.396 0.000 2.527 110 S HA -0.099 4.367 4.470 -0.006 0.000 0.222 110 S C 1.068 175.665 174.600 -0.005 0.000 0.985 110 S CA 0.147 58.274 58.200 -0.122 0.000 0.921 110 S CB -0.184 63.048 63.200 0.054 0.000 0.772 110 S HN 0.641 nan 8.310 nan 0.000 0.529 111 Y N 0.473 120.722 120.300 -0.084 0.000 2.830 111 Y HA 0.499 5.045 4.550 -0.007 0.000 0.255 111 Y C 0.023 175.901 175.900 -0.037 0.000 1.130 111 Y CA -0.645 57.472 58.100 0.029 0.000 1.217 111 Y CB -0.422 38.070 38.460 0.054 0.000 1.296 111 Y HN 0.240 nan 8.280 nan 0.000 0.571 112 T N -1.719 112.543 114.554 -0.486 0.000 2.906 112 T HA 0.770 5.117 4.350 -0.006 0.000 0.295 112 T C -0.704 173.532 174.700 -0.773 0.000 1.061 112 T CA -0.687 61.111 62.100 -0.502 0.000 1.000 112 T CB 2.117 70.771 68.868 -0.356 0.000 1.103 112 T HN 0.351 nan 8.240 nan 0.000 0.486 113 S N -0.104 115.178 115.700 -0.697 0.000 2.556 113 S HA 0.353 4.819 4.470 -0.006 0.000 0.280 113 S C -0.926 173.596 174.600 -0.130 0.000 1.141 113 S CA -0.604 57.306 58.200 -0.485 0.000 0.883 113 S CB 1.629 64.378 63.200 -0.752 0.000 1.103 113 S HN 0.699 nan 8.310 nan 0.000 0.453 114 D N 2.043 122.420 120.400 -0.038 0.000 2.349 114 D HA 0.155 4.791 4.640 -0.006 0.000 0.224 114 D C 0.766 177.114 176.300 0.080 0.000 1.029 114 D CA 0.860 54.882 54.000 0.036 0.000 0.879 114 D CB 0.364 41.179 40.800 0.025 0.000 0.906 114 D HN 0.695 nan 8.370 nan 0.000 0.528 115 T N -2.612 112.007 114.554 0.109 0.000 2.907 115 T HA 0.552 4.898 4.350 -0.006 0.000 0.292 115 T C -2.958 171.913 174.700 0.284 0.000 1.043 115 T CA -2.366 59.823 62.100 0.148 0.000 1.003 115 T CB 2.359 71.296 68.868 0.115 0.000 1.084 115 T HN -0.351 nan 8.240 nan 0.000 0.483 116 P HA 0.262 nan 4.420 nan 0.000 0.261 116 P C -0.846 176.763 177.300 0.515 0.000 1.173 116 P CA 0.038 63.343 63.100 0.341 0.000 0.760 116 P CB -0.155 31.669 31.700 0.206 0.000 0.783 117 F N 1.634 121.748 119.950 0.274 0.000 2.626 117 F HA 0.704 5.227 4.527 -0.007 0.000 0.311 117 F C -1.282 174.592 175.800 0.123 0.000 1.088 117 F CA -1.460 56.675 58.000 0.224 0.000 0.949 117 F CB 1.169 40.250 39.000 0.135 0.000 1.322 117 F HN -0.043 nan 8.300 nan 0.000 0.461 118 I N 3.516 124.147 120.570 0.103 0.000 2.377 118 I HA 0.330 4.496 4.170 -0.006 0.000 0.293 118 I C -0.846 175.330 176.117 0.097 0.000 0.987 118 I CA -0.768 60.461 61.300 -0.119 0.000 1.185 118 I CB 1.536 39.386 38.000 -0.249 0.000 1.341 118 I HN 0.640 nan 8.210 nan 0.000 0.455 119 L N 8.211 129.472 121.223 0.064 0.000 2.261 119 L HA 0.450 4.786 4.340 -0.006 0.000 0.289 119 L C -0.282 176.643 176.870 0.092 0.000 1.059 119 L CA 0.173 55.115 54.840 0.169 0.000 0.816 119 L CB 0.175 42.342 42.059 0.179 0.000 1.191 119 L HN 0.339 nan 8.230 nan 0.000 0.431 120 I N 5.114 125.749 120.570 0.109 0.000 2.281 120 I HA 0.194 4.360 4.170 -0.006 0.000 0.293 120 I C -0.073 176.093 176.117 0.081 0.000 1.085 120 I CA -0.246 61.103 61.300 0.081 0.000 1.257 120 I CB 0.545 38.605 38.000 0.100 0.000 1.430 120 I HN 0.556 nan 8.210 nan 0.000 0.489 121 D N 7.188 127.615 120.400 0.045 0.000 2.280 121 D HA 0.219 4.855 4.640 -0.006 0.000 0.243 121 D C 0.451 176.770 176.300 0.031 0.000 1.129 121 D CA -0.289 53.735 54.000 0.040 0.000 0.848 121 D CB 1.702 42.503 40.800 0.001 0.000 1.107 121 D HN 0.471 nan 8.370 nan 0.000 0.471 122 L N 4.798 126.052 121.223 0.051 0.000 2.685 122 L HA 0.075 4.411 4.340 -0.006 0.000 0.233 122 L C 2.325 179.216 176.870 0.035 0.000 1.173 122 L CA -0.133 54.735 54.840 0.046 0.000 0.961 122 L CB -0.294 41.798 42.059 0.055 0.000 1.217 122 L HN 0.484 nan 8.230 nan 0.000 0.478 123 M N -1.730 117.893 119.600 0.038 0.000 2.267 123 M HA -0.134 4.342 4.480 -0.006 0.000 0.263 123 M C 1.021 177.337 176.300 0.026 0.000 1.063 123 M CA 1.744 57.072 55.300 0.046 0.000 1.090 123 M CB -0.393 32.278 32.600 0.118 0.000 1.392 123 M HN 0.138 nan 8.290 nan 0.000 0.422 124 N N 1.405 120.113 118.700 0.013 0.000 2.467 124 N HA 0.199 4.935 4.740 -0.006 0.000 0.184 124 N C 0.201 175.723 175.510 0.019 0.000 1.106 124 N CA 0.611 53.667 53.050 0.011 0.000 0.892 124 N CB -0.008 38.476 38.487 -0.005 0.000 0.969 124 N HN 0.461 nan 8.380 nan 0.000 0.454 125 L N 2.318 123.553 121.223 0.021 0.000 2.512 125 L HA 0.224 4.560 4.340 -0.006 0.000 0.247 125 L C 0.338 177.195 176.870 -0.022 0.000 1.204 125 L CA -0.311 54.537 54.840 0.013 0.000 1.153 125 L CB -0.214 41.858 42.059 0.022 0.000 1.415 125 L HN 0.070 nan 8.230 nan 0.000 0.406 126 N N 0.612 119.305 118.700 -0.013 0.000 2.351 126 N HA 0.058 4.794 4.740 -0.006 0.000 0.254 126 N C 0.097 175.601 175.510 -0.010 0.000 1.241 126 N CA -0.521 52.517 53.050 -0.020 0.000 0.883 126 N CB 0.324 38.796 38.487 -0.026 0.000 1.202 126 N HN 0.271 nan 8.380 nan 0.000 0.512 127 R N 0.173 120.668 120.500 -0.008 0.000 2.340 127 R HA 0.450 4.786 4.340 -0.006 0.000 0.300 127 R C -0.614 175.698 176.300 0.020 0.000 1.069 127 R CA -0.433 55.673 56.100 0.011 0.000 0.984 127 R CB 1.523 31.835 30.300 0.019 0.000 1.003 127 R HN -0.075 nan 8.270 nan 0.000 0.459 128 V N 2.409 122.346 119.914 0.038 0.000 2.417 128 V HA 0.263 4.379 4.120 -0.006 0.000 0.291 128 V C -0.342 175.791 176.094 0.066 0.000 1.024 128 V CA -0.554 61.776 62.300 0.051 0.000 0.861 128 V CB 1.907 33.758 31.823 0.047 0.000 0.985 128 V HN 0.761 nan 8.190 nan 0.000 0.436 129 S N 6.018 121.774 115.700 0.093 0.000 2.667 129 S HA 0.601 5.067 4.470 -0.006 0.000 0.304 129 S C -0.348 174.308 174.600 0.094 0.000 1.135 129 S CA -0.333 57.928 58.200 0.102 0.000 1.125 129 S CB 0.619 63.900 63.200 0.136 0.000 0.996 129 S HN 0.539 nan 8.310 nan 0.000 0.474 130 I N 2.671 123.275 120.570 0.057 0.000 2.365 130 I HA 0.273 4.439 4.170 -0.006 0.000 0.291 130 I C -0.138 175.999 176.117 0.034 0.000 1.004 130 I CA -0.430 60.888 61.300 0.029 0.000 1.311 130 I CB 0.951 38.958 38.000 0.013 0.000 1.401 130 I HN 0.413 nan 8.210 nan 0.000 0.491 131 D N 6.973 127.388 120.400 0.024 0.000 2.460 131 D HA 0.251 4.888 4.640 -0.006 0.000 0.232 131 D C 0.639 176.939 176.300 0.001 0.000 1.079 131 D CA -0.298 53.717 54.000 0.026 0.000 0.864 131 D CB 1.168 41.994 40.800 0.044 0.000 1.048 131 D HN 0.430 nan 8.370 nan 0.000 0.523 132 L N 2.492 123.715 121.223 0.000 0.000 2.376 132 L HA -0.041 4.295 4.340 -0.006 0.000 0.219 132 L C 1.865 178.728 176.870 -0.011 0.000 1.133 132 L CA 0.585 55.419 54.840 -0.011 0.000 0.816 132 L CB 0.068 42.122 42.059 -0.008 0.000 0.933 132 L HN 0.328 nan 8.230 nan 0.000 0.449 133 E N -0.186 120.013 120.200 -0.002 0.000 2.158 133 E HA -0.095 4.251 4.350 -0.006 0.000 0.191 133 E C 2.235 178.831 176.600 -0.006 0.000 0.982 133 E CA 1.409 57.807 56.400 -0.002 0.000 0.823 133 E CB -0.011 29.692 29.700 0.005 0.000 0.766 133 E HN 0.494 nan 8.360 nan 0.000 0.468 134 S N -0.350 115.347 115.700 -0.006 0.000 2.511 134 S HA 0.077 4.543 4.470 -0.006 0.000 0.214 134 S C 0.342 174.923 174.600 -0.032 0.000 0.997 134 S CA -0.169 58.023 58.200 -0.014 0.000 0.908 134 S CB 0.131 63.328 63.200 -0.005 0.000 0.803 134 S HN 0.148 nan 8.310 nan 0.000 0.504 135 E N 1.725 121.903 120.200 -0.037 0.000 2.271 135 E HA -0.154 4.192 4.350 -0.006 0.000 0.223 135 E C -0.243 176.312 176.600 -0.076 0.000 1.223 135 E CA 0.745 57.111 56.400 -0.057 0.000 0.704 135 E CB -2.309 27.353 29.700 -0.063 0.000 1.194 135 E HN 0.860 nan 8.360 nan 0.000 0.375 136 T N -3.115 111.394 114.554 -0.076 0.000 2.838 136 T HA 0.865 5.211 4.350 -0.006 0.000 0.292 136 T C -0.601 174.027 174.700 -0.120 0.000 1.113 136 T CA -0.417 61.611 62.100 -0.120 0.000 1.008 136 T CB 2.590 71.376 68.868 -0.136 0.000 1.259 136 T HN 0.509 nan 8.240 nan 0.000 0.520 137 A N -0.122 122.584 122.820 -0.189 0.000 2.520 137 A HA 0.650 4.966 4.320 -0.006 0.000 0.298 137 A C -2.026 175.446 177.584 -0.186 0.000 1.051 137 A CA -1.056 50.905 52.037 -0.125 0.000 0.690 137 A CB 1.011 19.935 19.000 -0.127 0.000 1.281 137 A HN 0.813 nan 8.150 nan 0.000 0.402 138 W N 1.532 122.816 121.300 -0.027 0.000 2.361 138 W HA 0.556 5.210 4.660 -0.010 0.000 0.309 138 W C -0.553 175.944 176.519 -0.036 0.000 1.122 138 W CA -0.232 57.104 57.345 -0.014 0.000 1.208 138 W CB 2.059 31.518 29.460 -0.002 0.000 1.246 138 W HN 0.443 nan 8.180 nan 0.000 0.490 139 V N 4.126 124.176 119.914 0.227 0.000 2.380 139 V HA 0.157 4.273 4.120 -0.006 0.000 0.286 139 V C -0.020 176.114 176.094 0.067 0.000 1.015 139 V CA -1.288 61.078 62.300 0.109 0.000 0.834 139 V CB 0.953 32.815 31.823 0.065 0.000 1.009 139 V HN 0.484 nan 8.190 nan 0.000 0.428 140 E N 1.959 122.125 120.200 -0.057 0.000 2.415 140 E HA 0.034 4.380 4.350 -0.006 0.000 0.262 140 E C 1.069 177.610 176.600 -0.099 0.000 1.038 140 E CA 0.476 56.732 56.400 -0.240 0.000 0.921 140 E CB 0.809 30.347 29.700 -0.269 0.000 0.950 140 E HN 0.856 nan 8.360 nan 0.000 0.438 141 S N 1.589 117.203 115.700 -0.143 0.000 2.515 141 S HA -0.061 4.405 4.470 -0.006 0.000 0.231 141 S C 1.707 176.334 174.600 0.045 0.000 0.987 141 S CA 0.467 58.671 58.200 0.007 0.000 0.936 141 S CB 0.108 63.273 63.200 -0.058 0.000 0.766 141 S HN 0.638 nan 8.310 nan 0.000 0.528 142 G N 0.971 109.772 108.800 0.002 0.000 2.744 142 G HA2 0.164 4.120 3.960 -0.006 0.000 0.211 142 G HA3 0.164 4.120 3.960 -0.006 0.000 0.211 142 G C 0.354 175.251 174.900 -0.005 0.000 1.143 142 G CA -0.166 44.942 45.100 0.012 0.000 0.788 142 G HN 0.508 nan 8.290 nan 0.000 0.534 143 S N 0.816 116.514 115.700 -0.005 0.000 2.562 143 S HA 0.374 4.840 4.470 -0.006 0.000 0.281 143 S C 0.796 175.377 174.600 -0.032 0.000 1.333 143 S CA -0.140 58.046 58.200 -0.023 0.000 1.052 143 S CB 1.088 64.282 63.200 -0.011 0.000 0.884 143 S HN 0.509 nan 8.310 nan 0.000 0.506 144 T N 0.632 115.141 114.554 -0.075 0.000 2.874 144 T HA 0.419 4.765 4.350 -0.006 0.000 0.281 144 T C 1.490 176.101 174.700 -0.148 0.000 0.994 144 T CA -0.932 61.110 62.100 -0.098 0.000 1.015 144 T CB 0.295 69.092 68.868 -0.118 0.000 1.028 144 T HN 0.395 nan 8.240 nan 0.000 0.523 145 L N 1.015 122.107 121.223 -0.218 0.000 2.042 145 L HA 0.025 4.361 4.340 -0.006 0.000 0.210 145 L C 3.046 179.584 176.870 -0.554 0.000 1.076 145 L CA 1.723 56.290 54.840 -0.456 0.000 0.749 145 L CB -1.278 40.506 42.059 -0.457 0.000 0.893 145 L HN 0.999 nan 8.230 nan 0.000 0.432 146 G N -0.266 108.407 108.800 -0.212 0.000 2.440 146 G HA2 -0.250 3.707 3.960 -0.006 0.000 0.218 146 G HA3 -0.250 3.707 3.960 -0.006 0.000 0.218 146 G C 1.430 176.350 174.900 0.033 0.000 1.154 146 G CA 0.691 45.786 45.100 -0.008 0.000 0.767 146 G HN 0.424 nan 8.290 nan 0.000 0.552 147 E N -0.381 119.797 120.200 -0.035 0.000 2.110 147 E HA -0.090 4.256 4.350 -0.006 0.000 0.193 147 E C 2.366 179.014 176.600 0.080 0.000 0.988 147 E CA 0.710 57.118 56.400 0.013 0.000 0.804 147 E CB -0.161 29.513 29.700 -0.044 0.000 0.745 147 E HN 0.347 nan 8.360 nan 0.000 0.458 148 L N 0.285 121.499 121.223 -0.014 0.000 1.994 148 L HA -0.195 4.142 4.340 -0.006 0.000 0.208 148 L C 1.962 178.949 176.870 0.194 0.000 1.071 148 L CA 1.776 56.625 54.840 0.016 0.000 0.745 148 L CB -0.638 41.357 42.059 -0.106 0.000 0.892 148 L HN 0.088 nan 8.230 nan 0.000 0.431 149 Y N -1.357 119.084 120.300 0.235 0.000 2.181 149 Y HA -0.273 4.271 4.550 -0.011 0.000 0.288 149 Y C 2.607 178.638 175.900 0.219 0.000 1.146 149 Y CA 1.452 59.719 58.100 0.278 0.000 1.164 149 Y CB -1.510 37.042 38.460 0.153 0.000 0.982 149 Y HN 0.341 nan 8.280 nan 0.000 0.515 150 Y N 0.279 120.717 120.300 0.230 0.000 2.145 150 Y HA -0.204 4.359 4.550 0.022 0.000 0.286 150 Y C 2.505 178.483 175.900 0.130 0.000 1.145 150 Y CA 1.629 59.813 58.100 0.140 0.000 1.148 150 Y CB -0.573 37.938 38.460 0.085 0.000 0.981 150 Y HN 0.033 nan 8.280 nan 0.000 0.507 151 A N 0.334 123.309 122.820 0.257 0.000 1.902 151 A HA -0.177 4.139 4.320 -0.006 0.000 0.217 151 A C 2.261 179.891 177.584 0.077 0.000 1.181 151 A CA 1.993 54.115 52.037 0.141 0.000 0.623 151 A CB -1.129 17.958 19.000 0.145 0.000 0.818 151 A HN 0.593 nan 8.150 nan 0.000 0.443 152 I N 0.234 120.895 120.570 0.152 0.000 2.179 152 I HA -0.243 3.923 4.170 -0.006 0.000 0.242 152 I C 2.903 179.098 176.117 0.131 0.000 1.088 152 I CA 1.862 63.249 61.300 0.145 0.000 1.357 152 I CB -0.681 37.458 38.000 0.231 0.000 1.051 152 I HN 0.553 nan 8.210 nan 0.000 0.409 153 T N -1.452 113.208 114.554 0.176 0.000 2.788 153 T HA -0.230 4.117 4.350 -0.006 0.000 0.268 153 T C 1.700 176.372 174.700 -0.045 0.000 1.044 153 T CA 1.564 63.722 62.100 0.097 0.000 1.139 153 T CB -0.351 68.539 68.868 0.037 0.000 0.867 153 T HN 0.286 nan 8.240 nan 0.000 0.454 154 E N 2.380 122.489 120.200 -0.152 0.000 2.110 154 E HA -0.125 4.221 4.350 -0.006 0.000 0.193 154 E C 2.305 178.869 176.600 -0.060 0.000 0.988 154 E CA 1.691 57.993 56.400 -0.164 0.000 0.804 154 E CB -0.574 28.987 29.700 -0.231 0.000 0.745 154 E HN 0.746 nan 8.360 nan 0.000 0.458 155 S N -1.685 113.999 115.700 -0.027 0.000 2.446 155 S HA 0.113 4.580 4.470 -0.006 0.000 0.225 155 S C 0.803 175.398 174.600 -0.009 0.000 1.016 155 S CA 0.240 58.434 58.200 -0.010 0.000 0.943 155 S CB 0.071 63.271 63.200 -0.000 0.000 0.786 155 S HN 0.135 nan 8.310 nan 0.000 0.508 156 S N -0.081 115.616 115.700 -0.004 0.000 2.543 156 S HA 0.467 4.933 4.470 -0.006 0.000 0.274 156 S C 0.037 174.644 174.600 0.012 0.000 1.149 156 S CA -0.045 58.152 58.200 -0.006 0.000 0.866 156 S CB 1.298 64.484 63.200 -0.023 0.000 1.111 156 S HN 0.453 nan 8.310 nan 0.000 0.457 157 S N 2.631 118.337 115.700 0.010 0.000 2.556 157 S HA 0.351 4.817 4.470 -0.006 0.000 0.216 157 S C 0.568 175.181 174.600 0.022 0.000 0.970 157 S CA -0.276 57.942 58.200 0.030 0.000 0.912 157 S CB -0.216 62.997 63.200 0.021 0.000 0.790 157 S HN 0.648 nan 8.310 nan 0.000 0.504 158 K N 0.735 121.127 120.400 -0.012 0.000 2.469 158 K HA 0.445 4.761 4.320 -0.006 0.000 0.204 158 K C -0.747 175.796 176.600 -0.095 0.000 1.047 158 K CA -0.035 56.232 56.287 -0.034 0.000 1.072 158 K CB 0.700 33.184 32.500 -0.026 0.000 0.863 158 K HN 0.311 nan 8.250 nan 0.000 0.530 159 L N -0.103 121.034 121.223 -0.143 0.000 2.370 159 L HA 0.647 4.984 4.340 -0.006 0.000 0.266 159 L C 0.138 176.670 176.870 -0.562 0.000 1.002 159 L CA -0.979 53.703 54.840 -0.263 0.000 0.818 159 L CB 2.121 44.072 42.059 -0.180 0.000 1.325 159 L HN 0.063 nan 8.230 nan 0.000 0.418 160 G N 0.653 108.945 108.800 -0.846 0.000 2.870 160 G HA2 0.718 4.674 3.960 -0.006 0.000 0.299 160 G HA3 0.718 4.674 3.960 -0.006 0.000 0.299 160 G C -2.307 172.129 174.900 -0.773 0.000 1.324 160 G CA -0.330 43.714 45.100 -1.759 0.000 0.808 160 G HN 0.291 nan 8.290 nan 0.000 0.535 161 F N -0.475 119.034 119.950 -0.734 0.000 2.641 161 F HA 0.643 5.165 4.527 -0.008 0.000 0.308 161 F C -0.358 175.503 175.800 0.103 0.000 1.105 161 F CA -0.702 57.189 58.000 -0.181 0.000 0.964 161 F CB 2.443 41.463 39.000 0.033 0.000 1.294 161 F HN 0.529 nan 8.300 nan 0.000 0.442 162 T N 4.158 118.228 114.554 -0.806 0.000 2.727 162 T HA 0.822 5.168 4.350 -0.006 0.000 0.298 162 T C -0.543 173.949 174.700 -0.346 0.000 0.942 162 T CA 0.497 62.369 62.100 -0.380 0.000 0.997 162 T CB -0.229 68.447 68.868 -0.320 0.000 0.917 162 T HN 1.032 nan 8.240 nan 0.000 0.487 163 A N 3.767 126.687 122.820 0.167 0.000 2.594 163 A HA 0.902 5.218 4.320 -0.006 0.000 0.307 163 A C 0.361 178.134 177.584 0.315 0.000 1.203 163 A CA -0.453 51.773 52.037 0.315 0.000 0.644 163 A CB 0.312 19.619 19.000 0.511 0.000 1.349 163 A HN 1.025 nan 8.150 nan 0.000 0.510 164 G N -1.711 107.307 108.800 0.364 0.000 2.651 164 G HA2 0.361 4.317 3.960 -0.006 0.000 0.260 164 G HA3 0.361 4.317 3.960 -0.006 0.000 0.260 164 G C 0.397 175.385 174.900 0.147 0.000 1.216 164 G CA 0.415 45.594 45.100 0.130 0.000 0.913 164 G HN 1.363 nan 8.290 nan 0.000 0.535 165 W N -1.313 119.985 121.300 -0.004 0.000 3.290 165 W HA 0.366 5.021 4.660 -0.009 0.000 0.287 165 W C -0.103 176.387 176.519 -0.049 0.000 1.288 165 W CA -1.825 55.452 57.345 -0.114 0.000 1.725 165 W CB -1.570 27.787 29.460 -0.171 0.000 1.103 165 W HN 0.186 nan 8.180 nan 0.000 0.670 166 C N 3.978 123.485 119.300 0.344 0.000 2.281 166 C HA 0.247 4.703 4.460 -0.006 0.000 0.336 166 C C -0.558 174.476 174.990 0.074 0.000 1.217 166 C CA -0.884 58.218 59.018 0.140 0.000 1.730 166 C CB 0.708 28.516 27.740 0.113 0.000 2.338 166 C HN 0.009 nan 8.230 nan 0.000 0.521 167 P HA -0.089 nan 4.420 nan 0.000 0.220 167 P C 1.542 178.834 177.300 -0.013 0.000 1.148 167 P CA 1.421 64.559 63.100 0.064 0.000 0.803 167 P CB -0.040 31.720 31.700 0.100 0.000 0.782 168 T N -4.444 110.107 114.554 -0.005 0.000 3.100 168 T HA 0.093 4.439 4.350 -0.006 0.000 0.253 168 T C 0.756 175.440 174.700 -0.025 0.000 1.118 168 T CA -0.071 62.017 62.100 -0.020 0.000 1.058 168 T CB -0.869 68.010 68.868 0.020 0.000 0.953 168 T HN -0.206 nan 8.240 nan 0.000 0.515 169 V N 2.070 121.959 119.914 -0.042 0.000 2.715 169 V HA 0.515 4.631 4.120 -0.006 0.000 0.299 169 V C 1.307 177.366 176.094 -0.059 0.000 1.054 169 V CA -0.370 61.900 62.300 -0.050 0.000 1.077 169 V CB 0.771 32.525 31.823 -0.115 0.000 0.972 169 V HN 0.605 nan 8.190 nan 0.000 0.484 170 G N 2.138 110.939 108.800 0.001 0.000 2.415 170 G HA2 0.363 4.319 3.960 -0.006 0.000 0.269 170 G HA3 0.363 4.319 3.960 -0.006 0.000 0.269 170 G C 1.044 175.992 174.900 0.080 0.000 1.209 170 G CA 0.337 45.455 45.100 0.030 0.000 0.835 170 G HN 0.924 nan 8.290 nan 0.000 0.534 171 T N -0.091 114.519 114.554 0.093 0.000 2.915 171 T HA -0.049 4.297 4.350 -0.006 0.000 0.269 171 T C 2.377 177.272 174.700 0.325 0.000 1.071 171 T CA 1.412 63.611 62.100 0.165 0.000 1.132 171 T CB -0.254 68.710 68.868 0.159 0.000 0.878 171 T HN 0.566 nan 8.240 nan 0.000 0.479 172 G N 1.565 110.547 108.800 0.303 0.000 2.480 172 G HA2 0.042 3.999 3.960 -0.006 0.000 0.216 172 G HA3 0.042 3.999 3.960 -0.006 0.000 0.216 172 G C 1.687 176.778 174.900 0.319 0.000 1.200 172 G CA 0.674 45.981 45.100 0.345 0.000 0.782 172 G HN 0.633 nan 8.290 nan 0.000 0.554 173 G N -0.608 108.314 108.800 0.204 0.000 2.396 173 G HA2 -0.113 3.844 3.960 -0.006 0.000 0.214 173 G HA3 -0.113 3.844 3.960 -0.006 0.000 0.214 173 G C 1.575 176.558 174.900 0.139 0.000 1.166 173 G CA 1.245 46.434 45.100 0.148 0.000 0.793 173 G HN 0.547 nan 8.290 nan 0.000 0.533 174 H N 0.862 119.955 119.070 0.038 0.000 2.270 174 H HA 0.045 4.597 4.556 -0.006 0.000 0.299 174 H C 2.499 177.800 175.328 -0.044 0.000 1.077 174 H CA 1.732 57.776 56.048 -0.007 0.000 1.294 174 H CB -0.204 29.557 29.762 -0.002 0.000 1.371 174 H HN 0.294 nan 8.280 nan 0.000 0.491 175 I N -0.545 119.953 120.570 -0.119 0.000 2.315 175 I HA -0.220 3.947 4.170 -0.006 0.000 0.248 175 I C 2.287 178.199 176.117 -0.341 0.000 1.117 175 I CA 1.142 62.160 61.300 -0.470 0.000 1.404 175 I CB -0.323 37.010 38.000 -1.112 0.000 1.071 175 I HN 0.212 nan 8.210 nan 0.000 0.419 176 S N 0.771 116.500 115.700 0.049 0.000 2.419 176 S HA -0.116 4.350 4.470 -0.006 0.000 0.235 176 S C 1.877 176.548 174.600 0.118 0.000 1.019 176 S CA 1.428 59.769 58.200 0.234 0.000 0.982 176 S CB -0.355 63.061 63.200 0.361 0.000 0.789 176 S HN 0.670 nan 8.310 nan 0.000 0.490 177 G N -0.768 108.050 108.800 0.031 0.000 3.126 177 G HA2 0.505 4.461 3.960 -0.006 0.000 0.224 177 G HA3 0.505 4.461 3.960 -0.006 0.000 0.224 177 G C 0.717 175.678 174.900 0.101 0.000 1.142 177 G CA 0.393 45.526 45.100 0.055 0.000 0.759 177 G HN 0.700 nan 8.290 nan 0.000 0.550 178 G N -0.601 108.168 108.800 -0.051 0.000 2.261 178 G HA2 0.402 4.358 3.960 -0.006 0.000 0.228 178 G HA3 0.402 4.358 3.960 -0.006 0.000 0.228 178 G C 0.604 175.338 174.900 -0.277 0.000 2.090 178 G CA 0.709 45.755 45.100 -0.091 0.000 1.588 178 G HN 1.972 nan 8.290 nan 0.000 0.520 179 G N -0.238 108.402 108.800 -0.266 0.000 2.662 179 G HA2 0.377 4.333 3.960 -0.006 0.000 0.558 179 G HA3 0.377 4.333 3.960 -0.006 0.000 0.558 179 G C -0.479 174.323 174.900 -0.165 0.000 1.081 179 G CA 0.351 45.132 45.100 -0.532 0.000 1.261 179 G HN 1.740 nan 8.290 nan 0.000 0.559 180 F N 2.343 122.180 119.950 -0.189 0.000 2.422 180 F HA 0.811 5.336 4.527 -0.004 0.000 0.333 180 F C 0.767 176.438 175.800 -0.214 0.000 1.095 180 F CA 0.941 58.767 58.000 -0.291 0.000 1.038 180 F CB 1.660 40.402 39.000 -0.429 0.000 1.156 180 F HN 0.706 nan 8.300 nan 0.000 0.483 181 G N 4.413 112.652 108.800 -0.936 0.000 2.731 181 G HA2 0.185 4.141 3.960 -0.006 0.000 0.309 181 G HA3 0.185 4.141 3.960 -0.006 0.000 0.309 181 G C -0.194 174.253 174.900 -0.756 0.000 1.273 181 G CA -0.741 43.951 45.100 -0.680 0.000 0.798 181 G HN 0.459 nan 8.290 nan 0.000 0.509 182 M N 0.110 119.422 119.600 -0.481 0.000 2.460 182 M HA 0.170 4.646 4.480 -0.006 0.000 0.263 182 M C 1.872 177.957 176.300 -0.358 0.000 1.071 182 M CA 1.153 56.229 55.300 -0.373 0.000 1.096 182 M CB -0.654 31.720 32.600 -0.376 0.000 1.408 182 M HN 0.387 nan 8.290 nan 0.000 0.463 183 M N -1.638 117.810 119.600 -0.254 0.000 2.404 183 M HA 0.084 4.560 4.480 -0.006 0.000 0.271 183 M C 1.393 177.599 176.300 -0.157 0.000 1.128 183 M CA 0.007 55.265 55.300 -0.071 0.000 0.982 183 M CB 0.082 32.805 32.600 0.206 0.000 1.445 183 M HN 0.016 nan 8.290 nan 0.000 0.495 184 S N 0.805 116.247 115.700 -0.429 0.000 2.428 184 S HA 0.009 4.475 4.470 -0.006 0.000 0.230 184 S C 1.806 176.213 174.600 -0.321 0.000 1.014 184 S CA 0.890 58.785 58.200 -0.508 0.000 0.957 184 S CB -0.086 62.465 63.200 -1.082 0.000 0.784 184 S HN 0.509 nan 8.310 nan 0.000 0.499 185 R N 0.877 121.243 120.500 -0.224 0.000 2.189 185 R HA 0.009 4.345 4.340 -0.006 0.000 0.223 185 R C 2.108 178.321 176.300 -0.146 0.000 1.092 185 R CA 0.995 57.036 56.100 -0.098 0.000 0.989 185 R CB -0.067 30.250 30.300 0.029 0.000 0.876 185 R HN 0.155 nan 8.270 nan 0.000 0.457 186 K N -0.724 119.529 120.400 -0.245 0.000 2.244 186 K HA 0.008 4.324 4.320 -0.006 0.000 0.200 186 K C 0.482 176.715 176.600 -0.611 0.000 1.052 186 K CA 1.017 56.972 56.287 -0.554 0.000 0.980 186 K CB 0.405 32.327 32.500 -0.964 0.000 0.838 186 K HN 0.024 nan 8.250 nan 0.000 0.481 187 Y N -0.695 119.479 120.300 -0.211 0.000 2.563 187 Y HA 0.397 4.943 4.550 -0.006 0.000 0.250 187 Y C 0.696 176.458 175.900 -0.229 0.000 1.126 187 Y CA -0.229 57.738 58.100 -0.222 0.000 1.231 187 Y CB 1.143 39.460 38.460 -0.239 0.000 1.288 187 Y HN 0.231 nan 8.280 nan 0.000 0.537 188 G N 0.810 109.536 108.800 -0.123 0.000 2.632 188 G HA2 -0.243 3.713 3.960 -0.006 0.000 0.224 188 G HA3 -0.243 3.713 3.960 -0.006 0.000 0.224 188 G C -0.545 174.206 174.900 -0.249 0.000 1.341 188 G CA -0.510 44.489 45.100 -0.169 0.000 0.880 188 G HN 0.118 nan 8.290 nan 0.000 0.566 189 L N 0.593 121.676 121.223 -0.233 0.000 2.456 189 L HA 0.527 4.863 4.340 -0.006 0.000 0.257 189 L C 2.366 179.074 176.870 -0.269 0.000 1.162 189 L CA -0.111 54.560 54.840 -0.282 0.000 0.808 189 L CB 0.742 42.622 42.059 -0.298 0.000 1.136 189 L HN 1.125 nan 8.230 nan 0.000 0.466 190 A N 1.705 124.358 122.820 -0.277 0.000 1.917 190 A HA -0.216 4.101 4.320 -0.006 0.000 0.219 190 A C 2.243 179.743 177.584 -0.140 0.000 1.182 190 A CA 2.090 53.988 52.037 -0.232 0.000 0.633 190 A CB -0.814 18.173 19.000 -0.022 0.000 0.819 190 A HN 0.905 nan 8.150 nan 0.000 0.448 191 A N -0.534 122.152 122.820 -0.223 0.000 2.067 191 A HA -0.091 4.225 4.320 -0.006 0.000 0.219 191 A C 1.462 178.967 177.584 -0.133 0.000 1.158 191 A CA 1.539 53.423 52.037 -0.255 0.000 0.661 191 A CB -0.413 18.412 19.000 -0.292 0.000 0.801 191 A HN 0.458 nan 8.150 nan 0.000 0.452 192 D N 0.101 120.479 120.400 -0.037 0.000 2.363 192 D HA -0.028 4.608 4.640 -0.006 0.000 0.220 192 D C 0.477 176.881 176.300 0.173 0.000 0.994 192 D CA 0.525 54.631 54.000 0.176 0.000 0.890 192 D CB -0.088 40.807 40.800 0.159 0.000 0.906 192 D HN 0.450 nan 8.370 nan 0.000 0.530 193 N N 0.121 118.862 118.700 0.070 0.000 2.291 193 N HA 0.066 4.802 4.740 -0.006 0.000 0.244 193 N C -0.564 175.037 175.510 0.151 0.000 1.216 193 N CA -0.013 53.105 53.050 0.113 0.000 0.879 193 N CB 2.254 40.783 38.487 0.070 0.000 1.167 193 N HN -0.076 nan 8.380 nan 0.000 0.515 194 V N 1.917 121.887 119.914 0.093 0.000 2.465 194 V HA 0.136 4.252 4.120 -0.006 0.000 0.279 194 V C 1.405 177.644 176.094 0.243 0.000 1.045 194 V CA -0.265 62.097 62.300 0.104 0.000 0.938 194 V CB 1.696 33.535 31.823 0.026 0.000 0.986 194 V HN 0.093 nan 8.190 nan 0.000 0.467 195 V N -0.122 119.906 119.914 0.191 0.000 3.604 195 V HA 0.512 4.628 4.120 -0.006 0.000 0.277 195 V C 0.221 176.347 176.094 0.054 0.000 1.399 195 V CA 0.420 62.824 62.300 0.173 0.000 1.034 195 V CB 0.660 32.496 31.823 0.022 0.000 0.824 195 V HN 0.771 nan 8.190 nan 0.000 0.439 196 D N -0.632 119.812 120.400 0.072 0.000 2.665 196 D HA 0.804 5.440 4.640 -0.006 0.000 0.287 196 D C -1.241 175.189 176.300 0.218 0.000 1.266 196 D CA 0.534 54.526 54.000 -0.014 0.000 0.830 196 D CB 2.293 43.036 40.800 -0.095 0.000 1.356 196 D HN 0.553 nan 8.370 nan 0.000 0.437 197 A N 0.617 123.632 122.820 0.324 0.000 2.608 197 A HA 0.579 4.895 4.320 -0.006 0.000 0.292 197 A C -1.861 175.925 177.584 0.337 0.000 1.066 197 A CA -0.589 51.651 52.037 0.339 0.000 0.676 197 A CB 1.131 20.264 19.000 0.223 0.000 1.277 197 A HN 0.325 nan 8.150 nan 0.000 0.413 198 I N 1.806 122.535 120.570 0.266 0.000 2.355 198 I HA 0.423 4.590 4.170 -0.006 0.000 0.288 198 I C -0.791 175.349 176.117 0.039 0.000 0.999 198 I CA -0.329 61.067 61.300 0.161 0.000 1.163 198 I CB 0.914 39.047 38.000 0.222 0.000 1.316 198 I HN 0.604 nan 8.210 nan 0.000 0.454 199 L N 8.143 129.374 121.223 0.012 0.000 2.322 199 L HA 0.571 4.908 4.340 -0.006 0.000 0.281 199 L C -0.636 176.225 176.870 -0.015 0.000 1.014 199 L CA -0.208 54.610 54.840 -0.036 0.000 0.815 199 L CB 1.205 43.245 42.059 -0.030 0.000 1.247 199 L HN 0.233 nan 8.230 nan 0.000 0.421 200 I N 4.831 125.385 120.570 -0.027 0.000 2.312 200 I HA 0.274 4.441 4.170 -0.006 0.000 0.290 200 I C -0.018 176.100 176.117 0.001 0.000 1.008 200 I CA -0.541 60.758 61.300 -0.001 0.000 1.226 200 I CB 0.621 38.634 38.000 0.021 0.000 1.371 200 I HN 0.670 nan 8.210 nan 0.000 0.468 201 D N 5.712 126.139 120.400 0.045 0.000 2.478 201 D HA 0.253 4.889 4.640 -0.006 0.000 0.269 201 D C 1.081 177.530 176.300 0.248 0.000 1.232 201 D CA -0.486 53.571 54.000 0.096 0.000 1.059 201 D CB 0.841 41.694 40.800 0.090 0.000 1.104 201 D HN 0.418 nan 8.370 nan 0.000 0.566 202 A N -0.263 122.765 122.820 0.346 0.000 2.070 202 A HA -0.183 4.133 4.320 -0.006 0.000 0.220 202 A C 1.472 179.148 177.584 0.155 0.000 1.159 202 A CA 1.126 53.367 52.037 0.339 0.000 0.656 202 A CB -0.672 18.467 19.000 0.232 0.000 0.800 202 A HN 0.552 nan 8.150 nan 0.000 0.453 203 N N -1.063 117.709 118.700 0.120 0.000 2.280 203 N HA 0.184 4.920 4.740 -0.006 0.000 0.192 203 N C 1.060 176.612 175.510 0.069 0.000 1.109 203 N CA 0.930 54.025 53.050 0.075 0.000 0.855 203 N CB 0.510 39.031 38.487 0.056 0.000 0.974 203 N HN 0.604 nan 8.380 nan 0.000 0.482 204 G N 0.252 109.105 108.800 0.088 0.000 2.143 204 G HA2 -0.262 3.695 3.960 -0.006 0.000 0.249 204 G HA3 -0.262 3.695 3.960 -0.006 0.000 0.249 204 G C 0.292 175.213 174.900 0.035 0.000 0.981 204 G CA 0.193 45.332 45.100 0.064 0.000 0.665 204 G HN 0.601 nan 8.290 nan 0.000 0.528 205 A N -0.245 122.597 122.820 0.038 0.000 2.462 205 A HA 0.637 4.954 4.320 -0.006 0.000 0.243 205 A C 0.549 178.134 177.584 0.002 0.000 1.076 205 A CA 0.247 52.295 52.037 0.018 0.000 0.773 205 A CB 0.271 19.286 19.000 0.026 0.000 1.010 205 A HN 0.849 nan 8.150 nan 0.000 0.493 206 I N 2.970 123.527 120.570 -0.020 0.000 2.337 206 I HA 0.234 4.400 4.170 -0.006 0.000 0.285 206 I C -0.804 175.298 176.117 -0.024 0.000 1.041 206 I CA 0.148 61.422 61.300 -0.043 0.000 1.199 206 I CB 0.481 38.427 38.000 -0.090 0.000 1.370 206 I HN 0.427 nan 8.210 nan 0.000 0.470 207 L N 6.153 127.374 121.223 -0.003 0.000 2.305 207 L HA 0.430 4.766 4.340 -0.006 0.000 0.284 207 L C -0.236 176.656 176.870 0.038 0.000 1.013 207 L CA -0.919 53.931 54.840 0.016 0.000 0.819 207 L CB 1.294 43.369 42.059 0.027 0.000 1.227 207 L HN 0.535 nan 8.230 nan 0.000 0.417 208 D N 1.896 122.319 120.400 0.037 0.000 2.478 208 D HA 0.127 4.763 4.640 -0.006 0.000 0.269 208 D C 1.070 177.390 176.300 0.034 0.000 1.232 208 D CA -0.698 53.345 54.000 0.071 0.000 1.059 208 D CB 0.736 41.581 40.800 0.076 0.000 1.104 208 D HN 0.382 nan 8.370 nan 0.000 0.566 209 R N -0.677 119.807 120.500 -0.027 0.000 2.096 209 R HA -0.231 4.105 4.340 -0.006 0.000 0.240 209 R C 2.034 178.260 176.300 -0.123 0.000 1.139 209 R CA 1.775 57.753 56.100 -0.203 0.000 0.952 209 R CB -0.191 29.744 30.300 -0.607 0.000 0.854 209 R HN 0.544 nan 8.270 nan 0.000 0.436 210 Q N -0.604 119.145 119.800 -0.085 0.000 2.124 210 Q HA -0.135 4.201 4.340 -0.006 0.000 0.202 210 Q C 2.117 178.106 176.000 -0.018 0.000 0.977 210 Q CA 1.644 57.417 55.803 -0.050 0.000 0.850 210 Q CB -0.064 28.654 28.738 -0.034 0.000 0.901 210 Q HN 0.495 nan 8.270 nan 0.000 0.429 211 A N 1.343 124.160 122.820 -0.004 0.000 1.929 211 A HA -0.145 4.172 4.320 -0.006 0.000 0.216 211 A C 2.093 179.690 177.584 0.021 0.000 1.176 211 A CA 1.387 53.429 52.037 0.008 0.000 0.628 211 A CB -0.518 18.488 19.000 0.009 0.000 0.816 211 A HN 0.517 nan 8.150 nan 0.000 0.444 212 M N -2.025 117.595 119.600 0.034 0.000 2.419 212 M HA 0.365 4.841 4.480 -0.006 0.000 0.264 212 M C 1.022 177.357 176.300 0.059 0.000 1.082 212 M CA 1.018 56.351 55.300 0.055 0.000 1.119 212 M CB -0.526 32.123 32.600 0.081 0.000 1.398 212 M HN 0.785 nan 8.290 nan 0.000 0.453 213 G N 0.979 109.808 108.800 0.048 0.000 2.730 213 G HA2 -0.162 3.795 3.960 -0.006 0.000 0.686 213 G HA3 -0.162 3.795 3.960 -0.006 0.000 0.686 213 G C -0.188 174.766 174.900 0.090 0.000 1.343 213 G CA -0.198 44.929 45.100 0.046 0.000 0.826 213 G HN 0.373 nan 8.290 nan 0.000 0.582 214 E N -0.065 120.180 120.200 0.075 0.000 2.152 214 E HA -0.062 4.284 4.350 -0.006 0.000 0.192 214 E C 2.004 178.689 176.600 0.142 0.000 0.983 214 E CA 1.363 57.839 56.400 0.127 0.000 0.818 214 E CB -0.092 29.650 29.700 0.069 0.000 0.758 214 E HN 0.561 nan 8.360 nan 0.000 0.467 215 D N 0.214 120.655 120.400 0.068 0.000 2.117 215 D HA -0.099 4.537 4.640 -0.006 0.000 0.198 215 D C 2.074 178.442 176.300 0.113 0.000 0.982 215 D CA 0.716 54.749 54.000 0.055 0.000 0.828 215 D CB 0.016 40.817 40.800 0.002 0.000 0.967 215 D HN 0.016 nan 8.370 nan 0.000 0.464 216 V N 0.760 120.719 119.914 0.074 0.000 2.453 216 V HA -0.178 3.938 4.120 -0.006 0.000 0.247 216 V C 2.128 178.213 176.094 -0.015 0.000 1.048 216 V CA 0.911 63.208 62.300 -0.003 0.000 1.049 216 V CB -0.508 31.340 31.823 0.041 0.000 0.672 216 V HN 0.073 nan 8.190 nan 0.000 0.457 217 F N -0.141 119.791 119.950 -0.031 0.000 2.216 217 F HA -0.185 4.337 4.527 -0.008 0.000 0.300 217 F C 2.033 177.815 175.800 -0.030 0.000 1.085 217 F CA 1.391 59.376 58.000 -0.025 0.000 1.326 217 F CB -0.355 38.652 39.000 0.011 0.000 1.027 217 F HN 0.320 nan 8.300 nan 0.000 0.497 218 W N 0.969 122.119 121.300 -0.250 0.000 2.379 218 W HA -0.097 4.559 4.660 -0.006 0.000 0.307 218 W C 2.357 178.611 176.519 -0.442 0.000 1.200 218 W CA 2.645 59.776 57.345 -0.358 0.000 1.297 218 W CB -0.807 28.522 29.460 -0.219 0.000 1.140 218 W HN 0.019 nan 8.180 nan 0.000 0.507 219 A N 1.142 123.720 122.820 -0.402 0.000 1.902 219 A HA -0.203 4.114 4.320 -0.006 0.000 0.217 219 A C 2.055 178.948 177.584 -1.152 0.000 1.181 219 A CA 2.196 53.651 52.037 -0.969 0.000 0.623 219 A CB -1.522 16.742 19.000 -1.227 0.000 0.818 219 A HN 0.633 nan 8.150 nan 0.000 0.443 220 I N -3.437 116.599 120.570 -0.890 0.000 2.830 220 I HA -0.030 4.136 4.170 -0.006 0.000 0.263 220 I C 1.143 177.114 176.117 -0.244 0.000 1.230 220 I CA 0.750 61.712 61.300 -0.563 0.000 1.480 220 I CB -0.213 37.629 38.000 -0.264 0.000 1.095 220 I HN 0.043 nan 8.210 nan 0.000 0.455 221 R N 2.190 122.421 120.500 -0.448 0.000 4.609 221 R HA 0.317 4.653 4.340 -0.006 0.000 0.235 221 R C 0.665 176.751 176.300 -0.356 0.000 1.836 221 R CA 0.506 56.359 56.100 -0.411 0.000 1.564 221 R CB 0.044 30.003 30.300 -0.568 0.000 1.382 221 R HN 0.688 nan 8.270 nan 0.000 0.776 222 G N -0.994 107.685 108.800 -0.202 0.000 2.273 222 G HA2 -0.198 3.759 3.960 -0.006 0.000 0.162 222 G HA3 -0.198 3.759 3.960 -0.006 0.000 0.162 222 G C 0.806 175.789 174.900 0.138 0.000 1.006 222 G CA -0.318 44.772 45.100 -0.018 0.000 0.704 222 G HN 0.507 nan 8.290 nan 0.000 0.487 223 G N 0.283 109.060 108.800 -0.039 0.000 2.776 223 G HA2 0.543 4.500 3.960 -0.006 0.000 0.209 223 G HA3 0.543 4.500 3.960 -0.006 0.000 0.209 223 G C 1.146 176.384 174.900 0.563 0.000 1.145 223 G CA 1.471 46.615 45.100 0.073 0.000 0.791 223 G HN 1.984 nan 8.290 nan 0.000 0.530 224 G N -1.685 107.421 108.800 0.511 0.000 2.911 224 G HA2 0.433 4.389 3.960 -0.006 0.000 0.686 224 G HA3 0.433 4.389 3.960 -0.006 0.000 0.686 224 G C 0.224 175.377 174.900 0.422 0.000 1.136 224 G CA -0.386 44.979 45.100 0.442 0.000 0.764 224 G HN 0.930 nan 8.290 nan 0.000 0.626 225 G N -0.579 108.378 108.800 0.263 0.000 2.569 225 G HA2 0.673 4.629 3.960 -0.006 0.000 0.249 225 G HA3 0.673 4.629 3.960 -0.006 0.000 0.249 225 G C 1.461 176.461 174.900 0.167 0.000 1.216 225 G CA 1.282 46.513 45.100 0.219 0.000 0.845 225 G HN 2.544 nan 8.290 nan 0.000 0.568 226 G N -1.319 107.559 108.800 0.131 0.000 2.147 226 G HA2 -0.186 3.770 3.960 -0.006 0.000 0.244 226 G HA3 -0.186 3.770 3.960 -0.006 0.000 0.244 226 G C 0.601 175.567 174.900 0.110 0.000 1.005 226 G CA 0.595 45.794 45.100 0.166 0.000 0.713 226 G HN 1.275 nan 8.290 nan 0.000 0.515 227 V N -2.837 116.967 119.914 -0.183 0.000 3.350 227 V HA 0.237 4.353 4.120 -0.006 0.000 0.246 227 V C 1.849 177.513 176.094 -0.716 0.000 1.363 227 V CA 1.530 63.470 62.300 -0.599 0.000 1.162 227 V CB -0.276 30.870 31.823 -1.128 0.000 0.947 227 V HN 0.490 nan 8.190 nan 0.000 0.454 228 W N 0.726 121.958 121.300 -0.112 0.000 2.993 228 W HA 0.656 5.312 4.660 -0.006 0.000 0.290 228 W C 1.123 177.397 176.519 -0.409 0.000 1.203 228 W CA 0.659 57.906 57.345 -0.164 0.000 1.582 228 W CB 0.703 30.096 29.460 -0.111 0.000 1.033 228 W HN 0.340 nan 8.180 nan 0.000 0.594 229 G N 0.318 108.614 108.800 -0.839 0.000 2.325 229 G HA2 0.351 4.307 3.960 -0.006 0.000 0.285 229 G HA3 0.351 4.307 3.960 -0.006 0.000 0.285 229 G C -1.750 172.617 174.900 -0.889 0.000 1.303 229 G CA -0.668 43.581 45.100 -1.418 0.000 0.970 229 G HN 0.299 nan 8.290 nan 0.000 0.490 230 A N 0.110 122.644 122.820 -0.477 0.000 2.258 230 A HA 0.675 4.991 4.320 -0.006 0.000 0.316 230 A C 0.279 177.795 177.584 -0.113 0.000 1.279 230 A CA -0.565 51.374 52.037 -0.163 0.000 0.876 230 A CB 0.288 19.298 19.000 0.017 0.000 1.170 230 A HN 0.845 nan 8.150 nan 0.000 0.520 231 I N 3.851 124.335 120.570 -0.144 0.000 2.517 231 I HA -0.062 4.104 4.170 -0.006 0.000 0.285 231 I C 1.028 177.050 176.117 -0.158 0.000 1.106 231 I CA 0.557 61.694 61.300 -0.272 0.000 1.402 231 I CB 0.034 37.677 38.000 -0.595 0.000 1.399 231 I HN 0.935 nan 8.210 nan 0.000 0.535 232 Y N 7.399 127.578 120.300 -0.201 0.000 2.269 232 Y HA 0.349 4.896 4.550 -0.005 0.000 0.294 232 Y C 0.745 176.576 175.900 -0.116 0.000 1.120 232 Y CA 0.752 58.779 58.100 -0.123 0.000 1.159 232 Y CB 0.484 38.888 38.460 -0.093 0.000 1.024 232 Y HN 0.593 nan 8.280 nan 0.000 0.532 233 A N -1.742 120.863 122.820 -0.358 0.000 2.604 233 A HA 0.494 4.810 4.320 -0.006 0.000 0.295 233 A C -2.149 175.396 177.584 -0.064 0.000 1.067 233 A CA -0.662 51.212 52.037 -0.271 0.000 0.683 233 A CB -0.014 18.854 19.000 -0.220 0.000 1.281 233 A HN 0.308 nan 8.150 nan 0.000 0.407 234 W N 1.009 122.391 121.300 0.137 0.000 2.573 234 W HA 0.645 5.300 4.660 -0.008 0.000 0.326 234 W C 0.347 176.714 176.519 -0.253 0.000 1.049 234 W CA -0.445 56.903 57.345 0.005 0.000 1.220 234 W CB 1.829 31.257 29.460 -0.053 0.000 1.373 234 W HN 0.669 nan 8.180 nan 0.000 0.507 235 K N 5.215 125.393 120.400 -0.371 0.000 2.293 235 K HA 0.495 4.811 4.320 -0.006 0.000 0.267 235 K C -0.649 175.725 176.600 -0.377 0.000 1.010 235 K CA -0.434 55.319 56.287 -0.892 0.000 0.875 235 K CB 0.458 31.968 32.500 -1.651 0.000 1.106 235 K HN 0.633 nan 8.250 nan 0.000 0.450 236 I N 0.321 120.681 120.570 -0.350 0.000 2.693 236 I HA 0.538 4.704 4.170 -0.006 0.000 0.303 236 I C -0.903 175.093 176.117 -0.203 0.000 1.025 236 I CA -1.223 59.925 61.300 -0.253 0.000 1.086 236 I CB 1.788 39.456 38.000 -0.552 0.000 1.268 236 I HN 0.308 nan 8.210 nan 0.000 0.440 237 K N 5.173 125.539 120.400 -0.057 0.000 2.248 237 K HA 0.520 4.837 4.320 -0.006 0.000 0.281 237 K C -1.025 175.565 176.600 -0.017 0.000 1.054 237 K CA -0.312 55.946 56.287 -0.049 0.000 0.903 237 K CB 0.664 33.151 32.500 -0.021 0.000 1.077 237 K HN 0.712 nan 8.250 nan 0.000 0.474 238 L N 5.233 126.405 121.223 -0.085 0.000 2.417 238 L HA 0.351 4.687 4.340 -0.006 0.000 0.268 238 L C -0.119 176.648 176.870 -0.173 0.000 1.158 238 L CA -0.658 54.125 54.840 -0.095 0.000 0.819 238 L CB 0.404 42.386 42.059 -0.129 0.000 1.112 238 L HN 0.490 nan 8.230 nan 0.000 0.458 239 L N 2.838 123.889 121.223 -0.287 0.000 2.342 239 L HA 0.519 4.855 4.340 -0.006 0.000 0.271 239 L C -2.347 174.304 176.870 -0.366 0.000 1.008 239 L CA -2.090 52.460 54.840 -0.482 0.000 0.818 239 L CB 1.780 43.217 42.059 -1.036 0.000 1.296 239 L HN 0.326 nan 8.230 nan 0.000 0.427 240 P HA 0.141 nan 4.420 nan 0.000 0.271 240 P C -1.108 176.192 177.300 -0.001 0.000 1.216 240 P CA -0.209 62.835 63.100 -0.093 0.000 0.771 240 P CB 0.896 32.582 31.700 -0.024 0.000 0.864 241 V N 0.780 120.681 119.914 -0.023 0.000 3.007 241 V HA 0.724 4.840 4.120 -0.006 0.000 0.311 241 V C -2.797 173.338 176.094 0.069 0.000 1.120 241 V CA -3.145 59.211 62.300 0.093 0.000 0.980 241 V CB 1.718 33.518 31.823 -0.038 0.000 1.033 241 V HN 0.238 nan 8.190 nan 0.000 0.429 242 P HA 0.307 nan 4.420 nan 0.000 0.272 242 P C 0.579 177.901 177.300 0.036 0.000 1.230 242 P CA -0.122 63.004 63.100 0.044 0.000 0.788 242 P CB 0.639 32.349 31.700 0.017 0.000 0.949 243 E N 0.276 120.488 120.200 0.020 0.000 2.204 243 E HA -0.109 4.237 4.350 -0.006 0.000 0.195 243 E C 0.081 176.691 176.600 0.017 0.000 0.990 243 E CA 1.162 57.575 56.400 0.022 0.000 0.821 243 E CB 0.102 29.809 29.700 0.011 0.000 0.750 243 E HN 0.339 nan 8.360 nan 0.000 0.477 244 K N 0.802 121.201 120.400 -0.003 0.000 2.397 244 K HA 0.314 4.630 4.320 -0.006 0.000 0.253 244 K C -0.273 176.283 176.600 -0.073 0.000 0.932 244 K CA -0.504 55.768 56.287 -0.026 0.000 0.795 244 K CB 2.374 34.860 32.500 -0.024 0.000 1.159 244 K HN -0.096 nan 8.250 nan 0.000 0.424 245 V N -1.239 118.600 119.914 -0.124 0.000 3.177 245 V HA 0.712 4.828 4.120 -0.006 0.000 0.319 245 V C -0.167 175.778 176.094 -0.249 0.000 1.125 245 V CA -0.628 61.497 62.300 -0.292 0.000 1.029 245 V CB 1.891 33.401 31.823 -0.522 0.000 1.119 245 V HN 0.649 nan 8.190 nan 0.000 0.452 246 T N 1.908 116.283 114.554 -0.298 0.000 2.807 246 T HA 0.744 5.090 4.350 -0.006 0.000 0.279 246 T C -0.386 174.234 174.700 -0.132 0.000 0.993 246 T CA -0.309 61.746 62.100 -0.076 0.000 0.970 246 T CB 1.285 70.255 68.868 0.170 0.000 0.950 246 T HN 1.334 nan 8.240 nan 0.000 0.441 247 V N 0.623 120.508 119.914 -0.048 0.000 3.040 247 V HA 1.002 5.118 4.120 -0.006 0.000 0.312 247 V C -1.288 174.838 176.094 0.054 0.000 1.115 247 V CA -1.498 60.772 62.300 -0.050 0.000 0.998 247 V CB 1.723 33.574 31.823 0.046 0.000 1.042 247 V HN 0.836 nan 8.190 nan 0.000 0.433 248 F N -0.647 119.325 119.950 0.037 0.000 2.613 248 F HA 0.862 5.386 4.527 -0.006 0.000 0.310 248 F C -0.548 175.280 175.800 0.048 0.000 1.085 248 F CA -1.215 56.767 58.000 -0.030 0.000 0.945 248 F CB 2.152 40.950 39.000 -0.337 0.000 1.298 248 F HN 0.745 nan 8.300 nan 0.000 0.455 249 R N 3.012 123.692 120.500 0.300 0.000 2.545 249 R HA 0.639 4.976 4.340 -0.006 0.000 0.289 249 R C -2.459 173.899 176.300 0.096 0.000 1.327 249 R CA -0.380 55.790 56.100 0.117 0.000 1.040 249 R CB 1.646 31.891 30.300 -0.091 0.000 1.176 249 R HN 0.759 nan 8.270 nan 0.000 0.518 250 V N 3.169 123.147 119.914 0.106 0.000 2.444 250 V HA 0.359 4.475 4.120 -0.006 0.000 0.294 250 V C -0.003 176.095 176.094 0.005 0.000 1.022 250 V CA -0.634 61.676 62.300 0.016 0.000 0.850 250 V CB 2.099 33.880 31.823 -0.069 0.000 0.992 250 V HN 0.587 nan 8.190 nan 0.000 0.426 251 T N 5.746 120.297 114.554 -0.006 0.000 2.733 251 T HA 0.359 4.705 4.350 -0.006 0.000 0.294 251 T C -0.104 174.606 174.700 0.017 0.000 0.956 251 T CA -0.663 61.452 62.100 0.025 0.000 0.987 251 T CB 0.459 69.330 68.868 0.004 0.000 0.920 251 T HN 0.407 nan 8.240 nan 0.000 0.470 252 K N 3.972 124.389 120.400 0.028 0.000 2.201 252 K HA 0.308 4.624 4.320 -0.006 0.000 0.278 252 K C -0.176 176.457 176.600 0.055 0.000 1.027 252 K CA -0.576 55.718 56.287 0.011 0.000 0.909 252 K CB 0.838 33.323 32.500 -0.025 0.000 1.062 252 K HN 0.458 nan 8.250 nan 0.000 0.465 253 N N 2.615 121.340 118.700 0.042 0.000 2.558 253 N HA 0.232 4.969 4.740 -0.006 0.000 0.242 253 N C -0.196 175.336 175.510 0.037 0.000 0.979 253 N CA -0.262 52.825 53.050 0.062 0.000 0.931 253 N CB 1.503 40.019 38.487 0.049 0.000 1.122 253 N HN 0.370 nan 8.380 nan 0.000 0.508 254 V N -1.197 118.737 119.914 0.035 0.000 3.156 254 V HA 0.958 5.074 4.120 -0.006 0.000 0.310 254 V C -0.101 176.002 176.094 0.016 0.000 1.234 254 V CA -1.099 61.212 62.300 0.020 0.000 1.065 254 V CB 1.269 33.099 31.823 0.011 0.000 1.088 254 V HN 0.467 nan 8.190 nan 0.000 0.451 255 A N -0.076 122.754 122.820 0.015 0.000 2.256 255 A HA 0.737 5.053 4.320 -0.006 0.000 0.318 255 A C 0.919 178.502 177.584 -0.002 0.000 1.103 255 A CA -0.165 51.878 52.037 0.009 0.000 0.860 255 A CB 0.802 19.815 19.000 0.021 0.000 1.182 255 A HN 1.267 nan 8.150 nan 0.000 0.501 256 I N -0.737 119.817 120.570 -0.027 0.000 2.361 256 I HA -0.206 3.960 4.170 -0.006 0.000 0.251 256 I C 1.833 177.959 176.117 0.015 0.000 1.133 256 I CA 2.334 63.586 61.300 -0.081 0.000 1.413 256 I CB -0.124 37.727 38.000 -0.248 0.000 1.073 256 I HN 0.976 nan 8.210 nan 0.000 0.424 257 D N 0.572 121.029 120.400 0.095 0.000 2.092 257 D HA -0.331 4.305 4.640 -0.006 0.000 0.193 257 D C 2.157 178.526 176.300 0.115 0.000 0.994 257 D CA 1.917 56.011 54.000 0.157 0.000 0.828 257 D CB -0.077 40.800 40.800 0.129 0.000 0.963 257 D HN 0.462 nan 8.370 nan 0.000 0.450 258 E N -0.693 119.553 120.200 0.076 0.000 2.072 258 E HA -0.133 4.213 4.350 -0.006 0.000 0.190 258 E C 2.036 178.674 176.600 0.062 0.000 0.982 258 E CA 0.817 57.259 56.400 0.070 0.000 0.803 258 E CB -0.202 29.528 29.700 0.050 0.000 0.755 258 E HN 0.341 nan 8.360 nan 0.000 0.453 259 A N 0.383 123.221 122.820 0.031 0.000 1.908 259 A HA -0.185 4.131 4.320 -0.006 0.000 0.218 259 A C 2.375 179.968 177.584 0.014 0.000 1.181 259 A CA 2.074 54.110 52.037 -0.001 0.000 0.627 259 A CB -1.007 17.966 19.000 -0.045 0.000 0.818 259 A HN 0.333 nan 8.150 nan 0.000 0.445 260 T N 0.587 115.180 114.554 0.066 0.000 2.708 260 T HA -0.159 4.187 4.350 -0.006 0.000 0.266 260 T C 2.363 177.151 174.700 0.147 0.000 1.037 260 T CA 2.120 64.305 62.100 0.140 0.000 1.146 260 T CB -0.467 68.564 68.868 0.272 0.000 0.865 260 T HN 0.809 nan 8.240 nan 0.000 0.435 261 S N 1.612 117.403 115.700 0.153 0.000 2.402 261 S HA 0.033 4.499 4.470 -0.006 0.000 0.229 261 S C 2.099 176.831 174.600 0.219 0.000 1.021 261 S CA 0.661 58.973 58.200 0.187 0.000 0.974 261 S CB -0.776 62.519 63.200 0.159 0.000 0.800 261 S HN 0.388 nan 8.310 nan 0.000 0.484 262 L N 0.770 122.103 121.223 0.184 0.000 1.994 262 L HA -0.013 4.323 4.340 -0.006 0.000 0.208 262 L C 2.700 179.717 176.870 0.247 0.000 1.071 262 L CA 1.283 56.290 54.840 0.278 0.000 0.745 262 L CB -0.609 41.544 42.059 0.155 0.000 0.892 262 L HN 0.302 nan 8.230 nan 0.000 0.431 263 L N -1.145 120.054 121.223 -0.040 0.000 2.083 263 L HA -0.269 4.067 4.340 -0.006 0.000 0.209 263 L C 2.735 179.330 176.870 -0.457 0.000 1.083 263 L CA 1.221 55.814 54.840 -0.412 0.000 0.752 263 L CB -0.875 40.581 42.059 -1.004 0.000 0.899 263 L HN 0.435 nan 8.230 nan 0.000 0.433 264 H N 0.870 119.777 119.070 -0.270 0.000 2.387 264 H HA -0.207 4.345 4.556 -0.006 0.000 0.299 264 H C 2.269 177.695 175.328 0.163 0.000 1.090 264 H CA 1.926 58.024 56.048 0.083 0.000 1.332 264 H CB 0.347 30.258 29.762 0.249 0.000 1.386 264 H HN 0.250 nan 8.280 nan 0.000 0.516 265 K N -0.091 120.397 120.400 0.148 0.000 2.116 265 K HA -0.146 4.170 4.320 -0.006 0.000 0.203 265 K C 2.291 178.783 176.600 -0.179 0.000 1.052 265 K CA 1.042 57.347 56.287 0.029 0.000 0.952 265 K CB -0.412 32.063 32.500 -0.042 0.000 0.729 265 K HN 0.274 nan 8.250 nan 0.000 0.446 266 W N 2.888 124.057 121.300 -0.217 0.000 2.305 266 W HA -0.341 4.315 4.660 -0.008 0.000 0.308 266 W C 1.973 178.422 176.519 -0.118 0.000 1.226 266 W CA 2.602 59.887 57.345 -0.101 0.000 1.253 266 W CB -0.335 29.212 29.460 0.145 0.000 1.146 266 W HN 0.300 nan 8.180 nan 0.000 0.507 267 Q N -1.380 118.158 119.800 -0.438 0.000 2.181 267 Q HA -0.234 4.102 4.340 -0.006 0.000 0.205 267 Q C 1.937 177.432 176.000 -0.842 0.000 0.980 267 Q CA 1.937 57.203 55.803 -0.895 0.000 0.862 267 Q CB -1.302 27.140 28.738 -0.493 0.000 0.905 267 Q HN 0.391 nan 8.270 nan 0.000 0.429 268 F N 0.903 120.615 119.950 -0.397 0.000 2.187 268 F HA -0.041 4.482 4.527 -0.006 0.000 0.295 268 F C 2.383 177.990 175.800 -0.322 0.000 1.091 268 F CA 0.540 58.354 58.000 -0.310 0.000 1.308 268 F CB -0.567 38.282 39.000 -0.253 0.000 1.030 268 F HN -0.122 nan 8.300 nan 0.000 0.487 269 V N 0.264 120.041 119.914 -0.228 0.000 2.332 269 V HA -0.325 3.792 4.120 -0.006 0.000 0.248 269 V C 2.591 178.573 176.094 -0.186 0.000 1.055 269 V CA 1.894 64.070 62.300 -0.206 0.000 1.038 269 V CB -1.370 30.305 31.823 -0.247 0.000 0.651 269 V HN 0.360 nan 8.190 nan 0.000 0.450 270 A N -0.524 122.040 122.820 -0.427 0.000 1.855 270 A HA -0.257 4.060 4.320 -0.006 0.000 0.215 270 A C 2.331 179.822 177.584 -0.156 0.000 1.191 270 A CA 1.893 53.727 52.037 -0.338 0.000 0.613 270 A CB -0.546 17.930 19.000 -0.873 0.000 0.829 270 A HN 0.585 nan 8.150 nan 0.000 0.442 271 E N -0.279 119.789 120.200 -0.221 0.000 2.204 271 E HA -0.178 4.168 4.350 -0.006 0.000 0.194 271 E C 1.697 178.288 176.600 -0.016 0.000 0.989 271 E CA 1.176 57.533 56.400 -0.072 0.000 0.824 271 E CB -0.051 29.593 29.700 -0.093 0.000 0.756 271 E HN 0.760 nan 8.360 nan 0.000 0.477 272 E N 0.113 120.289 120.200 -0.040 0.000 2.318 272 E HA 0.054 4.400 4.350 -0.006 0.000 0.193 272 E C 0.401 176.991 176.600 -0.018 0.000 0.998 272 E CA -0.262 56.127 56.400 -0.019 0.000 0.859 272 E CB 0.230 29.914 29.700 -0.026 0.000 0.812 272 E HN 0.198 nan 8.360 nan 0.000 0.492 273 L N 2.548 123.763 121.223 -0.013 0.000 2.529 273 L HA -0.082 4.254 4.340 -0.006 0.000 0.287 273 L C 0.960 177.870 176.870 0.067 0.000 1.241 273 L CA 0.147 54.978 54.840 -0.015 0.000 0.857 273 L CB 0.299 42.399 42.059 0.069 0.000 1.113 273 L HN 0.111 nan 8.230 nan 0.000 0.504 274 E N 2.087 122.341 120.200 0.090 0.000 2.438 274 E HA -0.123 4.224 4.350 -0.006 0.000 0.261 274 E C 0.923 177.686 176.600 0.272 0.000 1.103 274 E CA 0.172 56.687 56.400 0.192 0.000 0.959 274 E CB 0.357 30.222 29.700 0.275 0.000 0.958 274 E HN 0.653 nan 8.360 nan 0.000 0.447 275 E N 0.893 121.177 120.200 0.140 0.000 2.333 275 E HA -0.200 4.146 4.350 -0.006 0.000 0.198 275 E C 0.177 176.824 176.600 0.077 0.000 1.007 275 E CA 0.977 57.412 56.400 0.058 0.000 0.845 275 E CB 0.096 29.747 29.700 -0.082 0.000 0.766 275 E HN 0.243 nan 8.360 nan 0.000 0.507 276 D N -0.217 120.270 120.400 0.144 0.000 2.336 276 D HA 0.125 4.761 4.640 -0.006 0.000 0.229 276 D C -0.809 175.597 176.300 0.177 0.000 1.061 276 D CA 0.397 54.459 54.000 0.104 0.000 0.875 276 D CB -0.009 40.755 40.800 -0.060 0.000 0.904 276 D HN 0.138 nan 8.370 nan 0.000 0.525 277 F N -0.703 119.507 119.950 0.433 0.000 2.565 277 F HA 0.410 4.936 4.527 -0.003 0.000 0.313 277 F C 0.339 176.379 175.800 0.400 0.000 1.091 277 F CA -0.789 57.484 58.000 0.455 0.000 0.915 277 F CB 2.220 41.378 39.000 0.263 0.000 1.208 277 F HN -0.489 nan 8.300 nan 0.000 0.453 278 T N 3.412 118.345 114.554 0.632 0.000 2.916 278 T HA 0.604 4.951 4.350 -0.006 0.000 0.298 278 T C -1.834 173.169 174.700 0.506 0.000 1.031 278 T CA -0.496 61.888 62.100 0.474 0.000 0.993 278 T CB 1.832 70.888 68.868 0.312 0.000 1.045 278 T HN 0.427 nan 8.240 nan 0.000 0.454 279 L N 2.851 124.387 121.223 0.520 0.000 2.406 279 L HA 0.751 5.087 4.340 -0.006 0.000 0.270 279 L C -0.743 176.552 176.870 0.708 0.000 0.982 279 L CA 0.057 55.234 54.840 0.562 0.000 0.843 279 L CB 1.531 44.030 42.059 0.733 0.000 1.225 279 L HN 0.652 nan 8.230 nan 0.000 0.412 280 S N 2.751 118.753 115.700 0.503 0.000 2.677 280 S HA 0.925 5.391 4.470 -0.006 0.000 0.304 280 S C -1.097 173.597 174.600 0.156 0.000 1.108 280 S CA -0.660 57.813 58.200 0.455 0.000 0.944 280 S CB 2.284 65.767 63.200 0.472 0.000 1.127 280 S HN 0.384 nan 8.310 nan 0.000 0.511 281 V N 1.851 121.731 119.914 -0.056 0.000 2.841 281 V HA 0.543 4.660 4.120 -0.006 0.000 0.310 281 V C -1.540 174.519 176.094 -0.058 0.000 1.090 281 V CA -0.749 61.435 62.300 -0.194 0.000 0.930 281 V CB 1.656 33.128 31.823 -0.586 0.000 1.014 281 V HN 0.568 nan 8.190 nan 0.000 0.425 282 L N 3.184 124.405 121.223 -0.002 0.000 2.329 282 L HA 0.961 5.297 4.340 -0.006 0.000 0.279 282 L C 0.494 177.318 176.870 -0.078 0.000 1.014 282 L CA 0.086 54.974 54.840 0.080 0.000 0.814 282 L CB 1.658 43.818 42.059 0.168 0.000 1.257 282 L HN 0.875 nan 8.230 nan 0.000 0.424 283 G N 0.243 108.868 108.800 -0.291 0.000 2.659 283 G HA2 0.794 4.750 3.960 -0.006 0.000 0.296 283 G HA3 0.794 4.750 3.960 -0.006 0.000 0.296 283 G C -1.023 173.183 174.900 -1.156 0.000 1.369 283 G CA -0.195 44.405 45.100 -0.834 0.000 0.937 283 G HN 0.863 nan 8.290 nan 0.000 0.485 284 G N -1.326 106.317 108.800 -1.928 0.000 2.606 284 G HA2 0.992 4.948 3.960 -0.006 0.000 0.300 284 G HA3 0.992 4.948 3.960 -0.006 0.000 0.300 284 G C -1.141 173.269 174.900 -0.817 0.000 1.360 284 G CA 0.297 44.780 45.100 -1.029 0.000 0.783 284 G HN 1.901 nan 8.290 nan 0.000 0.484 285 A N -0.764 121.967 122.820 -0.148 0.000 2.586 285 A HA 0.768 5.084 4.320 -0.006 0.000 0.290 285 A C -2.324 175.325 177.584 0.109 0.000 1.086 285 A CA -0.282 51.754 52.037 -0.002 0.000 0.665 285 A CB 2.201 21.162 19.000 -0.065 0.000 1.279 285 A HN 0.924 nan 8.150 nan 0.000 0.423 286 D N 0.334 120.791 120.400 0.094 0.000 2.365 286 D HA 0.400 5.036 4.640 -0.006 0.000 0.235 286 D C 0.381 176.708 176.300 0.045 0.000 1.368 286 D CA 0.232 54.275 54.000 0.072 0.000 1.001 286 D CB 0.498 41.351 40.800 0.088 0.000 1.364 286 D HN 0.525 nan 8.370 nan 0.000 0.577 287 E N 1.916 122.133 120.200 0.028 0.000 3.289 287 E HA -0.303 4.043 4.350 -0.006 0.000 0.386 287 E C 0.732 177.339 176.600 0.011 0.000 1.526 287 E CA 1.052 57.463 56.400 0.018 0.000 1.519 287 E CB -0.807 28.904 29.700 0.019 0.000 1.657 287 E HN 0.571 nan 8.360 nan 0.000 0.479 288 K N 1.571 121.980 120.400 0.014 0.000 2.432 288 K HA 0.020 4.336 4.320 -0.006 0.000 0.196 288 K C 0.686 177.295 176.600 0.015 0.000 1.038 288 K CA 0.425 56.718 56.287 0.010 0.000 0.986 288 K CB 0.031 32.540 32.500 0.014 0.000 0.782 288 K HN 0.311 nan 8.250 nan 0.000 0.485 289 Q N 1.558 121.377 119.800 0.032 0.000 2.296 289 Q HA 0.254 4.590 4.340 -0.006 0.000 0.257 289 Q C -0.849 175.190 176.000 0.066 0.000 0.942 289 Q CA -0.374 55.461 55.803 0.052 0.000 0.939 289 Q CB 1.887 30.667 28.738 0.069 0.000 1.198 289 Q HN -0.138 nan 8.270 nan 0.000 0.429 290 V N 3.766 123.705 119.914 0.041 0.000 2.581 290 V HA 0.498 4.614 4.120 -0.006 0.000 0.303 290 V C -0.468 175.668 176.094 0.069 0.000 1.041 290 V CA -0.884 61.410 62.300 -0.011 0.000 0.907 290 V CB 1.136 32.914 31.823 -0.075 0.000 0.994 290 V HN 0.731 nan 8.190 nan 0.000 0.442 291 W N 4.496 125.782 121.300 -0.023 0.000 2.656 291 W HA 0.826 5.482 4.660 -0.007 0.000 0.327 291 W C -2.094 174.401 176.519 -0.041 0.000 1.041 291 W CA -1.248 56.074 57.345 -0.038 0.000 1.229 291 W CB 1.245 30.675 29.460 -0.050 0.000 1.397 291 W HN 0.359 nan 8.180 nan 0.000 0.479 292 L N 3.984 125.284 121.223 0.127 0.000 2.372 292 L HA 0.330 4.666 4.340 -0.006 0.000 0.274 292 L C -0.142 176.805 176.870 0.130 0.000 0.988 292 L CA -0.500 54.343 54.840 0.005 0.000 0.833 292 L CB 2.356 44.367 42.059 -0.080 0.000 1.236 292 L HN 0.356 nan 8.230 nan 0.000 0.410 293 T N 4.391 119.057 114.554 0.186 0.000 2.738 293 T HA 0.451 4.797 4.350 -0.006 0.000 0.298 293 T C 0.148 174.877 174.700 0.050 0.000 0.962 293 T CA -0.541 61.636 62.100 0.129 0.000 0.972 293 T CB 0.649 69.606 68.868 0.149 0.000 0.928 293 T HN 0.252 nan 8.240 nan 0.000 0.474 294 M N 4.596 124.228 119.600 0.054 0.000 2.144 294 M HA 0.382 4.858 4.480 -0.006 0.000 0.356 294 M C -0.526 175.853 176.300 0.132 0.000 1.217 294 M CA -0.529 54.832 55.300 0.103 0.000 1.087 294 M CB 0.266 32.950 32.600 0.139 0.000 1.609 294 M HN 0.416 nan 8.290 nan 0.000 0.467 295 L N 2.972 124.237 121.223 0.070 0.000 2.298 295 L HA 0.726 5.062 4.340 -0.006 0.000 0.284 295 L C 0.606 177.348 176.870 -0.213 0.000 1.013 295 L CA -0.604 54.209 54.840 -0.045 0.000 0.824 295 L CB 1.561 43.644 42.059 0.039 0.000 1.221 295 L HN 0.821 nan 8.230 nan 0.000 0.418 296 G N 2.268 110.552 108.800 -0.860 0.000 2.416 296 G HA2 0.661 4.617 3.960 -0.006 0.000 0.329 296 G HA3 0.661 4.617 3.960 -0.006 0.000 0.329 296 G C -1.818 172.839 174.900 -0.405 0.000 1.173 296 G CA -0.330 44.093 45.100 -1.128 0.000 0.929 296 G HN 0.370 nan 8.290 nan 0.000 0.475 297 F N 1.716 121.604 119.950 -0.104 0.000 2.574 297 F HA 0.591 5.112 4.527 -0.010 0.000 0.313 297 F C -1.051 174.858 175.800 0.182 0.000 1.130 297 F CA -0.936 57.071 58.000 0.011 0.000 0.936 297 F CB 2.359 41.351 39.000 -0.013 0.000 1.219 297 F HN 0.625 nan 8.300 nan 0.000 0.445 298 H N 5.150 123.970 119.070 -0.416 0.000 2.667 298 H HA 0.375 4.928 4.556 -0.004 0.000 0.353 298 H C -1.459 173.532 175.328 -0.562 0.000 1.072 298 H CA -1.171 54.683 56.048 -0.322 0.000 1.214 298 H CB 1.013 30.702 29.762 -0.122 0.000 1.600 298 H HN 0.525 nan 8.280 nan 0.000 0.527 299 F N 5.045 124.530 119.950 -0.776 0.000 2.677 299 F HA 0.425 4.947 4.527 -0.008 0.000 0.358 299 F C 1.253 176.516 175.800 -0.895 0.000 1.266 299 F CA 1.430 59.079 58.000 -0.585 0.000 1.262 299 F CB -0.269 38.577 39.000 -0.257 0.000 1.684 299 F HN 0.799 nan 8.300 nan 0.000 0.671 300 G N 0.278 108.640 108.800 -0.731 0.000 2.333 300 G HA2 0.251 4.207 3.960 -0.006 0.000 0.288 300 G HA3 0.251 4.207 3.960 -0.006 0.000 0.288 300 G C -1.409 173.425 174.900 -0.110 0.000 1.286 300 G CA -1.188 43.660 45.100 -0.420 0.000 0.865 300 G HN 0.115 nan 8.290 nan 0.000 0.506 301 L N 0.511 121.781 121.223 0.078 0.000 2.454 301 L HA 0.400 4.736 4.340 -0.006 0.000 0.256 301 L C 2.133 179.107 176.870 0.174 0.000 1.136 301 L CA -0.462 54.438 54.840 0.100 0.000 0.804 301 L CB 1.299 43.395 42.059 0.061 0.000 1.181 301 L HN 0.951 nan 8.230 nan 0.000 0.469 302 K N -1.158 119.305 120.400 0.105 0.000 2.217 302 K HA -0.095 4.221 4.320 -0.006 0.000 0.202 302 K C 1.540 178.117 176.600 -0.038 0.000 1.051 302 K CA 1.454 57.788 56.287 0.079 0.000 0.952 302 K CB -0.392 32.150 32.500 0.071 0.000 0.736 302 K HN 0.792 nan 8.250 nan 0.000 0.453 303 T N -0.480 114.068 114.554 -0.009 0.000 2.708 303 T HA -0.111 4.235 4.350 -0.006 0.000 0.266 303 T C 2.106 176.791 174.700 -0.025 0.000 1.037 303 T CA 1.328 63.407 62.100 -0.036 0.000 1.146 303 T CB -0.754 68.112 68.868 -0.004 0.000 0.865 303 T HN 0.037 nan 8.240 nan 0.000 0.435 304 V N 2.310 122.247 119.914 0.037 0.000 2.358 304 V HA -0.016 4.100 4.120 -0.006 0.000 0.246 304 V C 3.280 179.385 176.094 0.018 0.000 1.047 304 V CA 1.439 63.767 62.300 0.047 0.000 1.035 304 V CB -1.496 30.405 31.823 0.132 0.000 0.658 304 V HN 0.690 nan 8.190 nan 0.000 0.452 305 A N 0.108 122.955 122.820 0.045 0.000 1.873 305 A HA -0.321 3.995 4.320 -0.006 0.000 0.218 305 A C 2.343 180.073 177.584 0.244 0.000 1.193 305 A CA 2.524 54.711 52.037 0.251 0.000 0.629 305 A CB -0.533 18.757 19.000 0.483 0.000 0.826 305 A HN 0.529 nan 8.150 nan 0.000 0.447 306 K N -0.520 119.755 120.400 -0.209 0.000 2.097 306 K HA -0.104 4.212 4.320 -0.006 0.000 0.205 306 K C 2.330 178.897 176.600 -0.054 0.000 1.050 306 K CA 1.422 57.485 56.287 -0.372 0.000 0.938 306 K CB -0.215 31.834 32.500 -0.752 0.000 0.718 306 K HN 0.439 nan 8.250 nan 0.000 0.442 307 S N -0.333 115.329 115.700 -0.064 0.000 2.382 307 S HA -0.135 4.331 4.470 -0.006 0.000 0.228 307 S C 1.736 176.298 174.600 -0.064 0.000 1.027 307 S CA 2.011 60.185 58.200 -0.043 0.000 0.991 307 S CB -0.430 62.747 63.200 -0.039 0.000 0.823 307 S HN 0.443 nan 8.310 nan 0.000 0.469 308 T N 1.102 115.574 114.554 -0.135 0.000 2.737 308 T HA 0.034 4.380 4.350 -0.006 0.000 0.265 308 T C 1.255 175.759 174.700 -0.326 0.000 1.038 308 T CA 1.539 63.417 62.100 -0.369 0.000 1.144 308 T CB -0.449 67.923 68.868 -0.827 0.000 0.866 308 T HN 0.479 nan 8.240 nan 0.000 0.434 309 F N 1.528 121.512 119.950 0.057 0.000 2.367 309 F HA 0.063 4.585 4.527 -0.008 0.000 0.298 309 F C 2.205 178.079 175.800 0.123 0.000 1.094 309 F CA 0.333 58.428 58.000 0.157 0.000 1.409 309 F CB -0.446 38.724 39.000 0.283 0.000 1.064 309 F HN 0.059 nan 8.300 nan 0.000 0.528 310 D N 0.141 120.668 120.400 0.211 0.000 2.144 310 D HA -0.155 4.481 4.640 -0.006 0.000 0.199 310 D C 2.267 178.624 176.300 0.095 0.000 0.984 310 D CA 0.991 55.068 54.000 0.128 0.000 0.834 310 D CB -0.411 40.427 40.800 0.064 0.000 0.955 310 D HN 0.211 nan 8.370 nan 0.000 0.465 311 L N -0.066 121.183 121.223 0.044 0.000 2.068 311 L HA 0.003 4.340 4.340 -0.006 0.000 0.204 311 L C 1.981 178.869 176.870 0.031 0.000 1.076 311 L CA 1.383 56.230 54.840 0.011 0.000 0.753 311 L CB -0.223 41.808 42.059 -0.047 0.000 0.910 311 L HN -0.018 nan 8.230 nan 0.000 0.439 312 L N -2.198 119.045 121.223 0.033 0.000 2.307 312 L HA 0.057 4.393 4.340 -0.006 0.000 0.211 312 L C 0.660 177.639 176.870 0.182 0.000 1.099 312 L CA 0.451 55.312 54.840 0.035 0.000 0.816 312 L CB 0.110 42.127 42.059 -0.070 0.000 0.952 312 L HN 0.176 nan 8.230 nan 0.000 0.455 313 F N 0.246 120.278 119.950 0.137 0.000 2.577 313 F HA 0.237 4.760 4.527 -0.007 0.000 0.359 313 F C -1.983 173.906 175.800 0.148 0.000 1.535 313 F CA -1.559 56.548 58.000 0.179 0.000 1.093 313 F CB 1.080 40.259 39.000 0.298 0.000 1.613 313 F HN -0.114 nan 8.300 nan 0.000 0.558 314 P HA -0.159 nan 4.420 nan 0.000 0.220 314 P C 0.961 178.331 177.300 0.117 0.000 1.148 314 P CA 1.319 64.522 63.100 0.172 0.000 0.803 314 P CB 0.263 32.043 31.700 0.134 0.000 0.782 315 E N -0.540 119.780 120.200 0.200 0.000 2.265 315 E HA -0.102 4.244 4.350 -0.006 0.000 0.196 315 E C 1.873 178.421 176.600 -0.087 0.000 0.996 315 E CA 0.621 57.091 56.400 0.116 0.000 0.832 315 E CB -0.987 28.880 29.700 0.278 0.000 0.756 315 E HN 0.254 nan 8.360 nan 0.000 0.491 316 L N -0.559 120.466 121.223 -0.329 0.000 2.191 316 L HA -0.071 4.265 4.340 -0.006 0.000 0.212 316 L C 1.385 178.114 176.870 -0.234 0.000 1.103 316 L CA 0.816 55.389 54.840 -0.444 0.000 0.769 316 L CB -0.638 41.033 42.059 -0.646 0.000 0.908 316 L HN 0.408 nan 8.230 nan 0.000 0.438 317 G N 0.755 109.473 108.800 -0.137 0.000 2.221 317 G HA2 -0.285 3.671 3.960 -0.006 0.000 0.265 317 G HA3 -0.285 3.671 3.960 -0.006 0.000 0.265 317 G C 0.168 175.002 174.900 -0.110 0.000 1.041 317 G CA -0.118 44.931 45.100 -0.086 0.000 0.807 317 G HN 0.247 nan 8.290 nan 0.000 0.502 318 L N -0.340 120.793 121.223 -0.150 0.000 2.426 318 L HA 0.497 4.834 4.340 -0.006 0.000 0.271 318 L C 1.238 178.098 176.870 -0.017 0.000 1.169 318 L CA -0.457 54.271 54.840 -0.186 0.000 0.836 318 L CB 0.921 42.761 42.059 -0.366 0.000 1.112 318 L HN 0.262 nan 8.230 nan 0.000 0.465 319 V N -0.425 119.487 119.914 -0.003 0.000 3.103 319 V HA 0.350 4.466 4.120 -0.006 0.000 0.318 319 V C 0.875 177.071 176.094 0.171 0.000 1.114 319 V CA -0.764 61.576 62.300 0.067 0.000 1.020 319 V CB 1.622 33.458 31.823 0.022 0.000 1.085 319 V HN 0.790 nan 8.190 nan 0.000 0.446 320 E N 0.906 121.186 120.200 0.133 0.000 2.130 320 E HA -0.208 4.138 4.350 -0.006 0.000 0.196 320 E C 1.752 178.462 176.600 0.184 0.000 0.998 320 E CA 1.893 58.383 56.400 0.149 0.000 0.806 320 E CB 0.022 29.756 29.700 0.057 0.000 0.738 320 E HN 0.923 nan 8.360 nan 0.000 0.459 321 E N 0.949 121.213 120.200 0.106 0.000 2.427 321 E HA -0.140 4.206 4.350 -0.006 0.000 0.196 321 E C 0.969 177.609 176.600 0.067 0.000 1.028 321 E CA 0.612 57.057 56.400 0.075 0.000 0.864 321 E CB -0.069 29.653 29.700 0.038 0.000 0.813 321 E HN 0.253 nan 8.360 nan 0.000 0.514 322 D N 0.536 120.965 120.400 0.048 0.000 2.224 322 D HA -0.076 4.561 4.640 -0.006 0.000 0.205 322 D C -0.062 176.214 176.300 -0.040 0.000 0.965 322 D CA 0.680 54.643 54.000 -0.061 0.000 0.852 322 D CB -0.166 40.469 40.800 -0.275 0.000 0.947 322 D HN 0.265 nan 8.370 nan 0.000 0.494 323 Y N 0.603 120.938 120.300 0.060 0.000 2.365 323 Y HA 0.297 4.843 4.550 -0.008 0.000 0.340 323 Y C 0.466 176.401 175.900 0.058 0.000 1.016 323 Y CA -0.337 57.837 58.100 0.123 0.000 1.196 323 Y CB 0.673 39.208 38.460 0.125 0.000 1.167 323 Y HN -0.292 nan 8.280 nan 0.000 0.509 324 L N 4.314 125.619 121.223 0.136 0.000 2.341 324 L HA 0.471 4.807 4.340 -0.006 0.000 0.278 324 L C -0.453 176.405 176.870 -0.020 0.000 1.005 324 L CA -0.805 54.032 54.840 -0.005 0.000 0.818 324 L CB 1.797 43.747 42.059 -0.183 0.000 1.259 324 L HN 0.554 nan 8.230 nan 0.000 0.418 325 E N 5.306 125.494 120.200 -0.022 0.000 2.174 325 E HA 0.635 4.981 4.350 -0.006 0.000 0.282 325 E C -0.596 175.962 176.600 -0.069 0.000 0.992 325 E CA -0.385 55.994 56.400 -0.036 0.000 0.803 325 E CB 1.886 31.581 29.700 -0.008 0.000 1.090 325 E HN 0.517 nan 8.360 nan 0.000 0.396 326 M N -0.819 118.732 119.600 -0.082 0.000 2.880 326 M HA 0.454 4.930 4.480 -0.006 0.000 0.269 326 M C -0.455 175.818 176.300 -0.044 0.000 1.248 326 M CA -1.111 54.145 55.300 -0.073 0.000 0.821 326 M CB 1.528 34.061 32.600 -0.113 0.000 1.650 326 M HN 0.354 nan 8.290 nan 0.000 0.479 327 S N 0.006 115.694 115.700 -0.019 0.000 2.596 327 S HA 0.125 4.591 4.470 -0.006 0.000 0.260 327 S C 0.341 174.973 174.600 0.053 0.000 1.336 327 S CA -0.034 58.182 58.200 0.027 0.000 0.993 327 S CB 0.588 63.808 63.200 0.033 0.000 0.923 327 S HN 0.976 nan 8.310 nan 0.000 0.567 328 W N 2.207 123.471 121.300 -0.060 0.000 2.335 328 W HA 0.038 4.685 4.660 -0.023 0.000 0.311 328 W C 2.158 178.613 176.519 -0.107 0.000 1.213 328 W CA 1.886 59.181 57.345 -0.082 0.000 1.274 328 W CB -1.092 28.286 29.460 -0.136 0.000 1.148 328 W HN 0.846 nan 8.180 nan 0.000 0.498 329 G N 0.077 108.715 108.800 -0.270 0.000 2.440 329 G HA2 -0.308 3.648 3.960 -0.006 0.000 0.218 329 G HA3 -0.308 3.648 3.960 -0.006 0.000 0.218 329 G C 1.323 176.046 174.900 -0.295 0.000 1.154 329 G CA 1.203 45.998 45.100 -0.510 0.000 0.767 329 G HN 0.442 nan 8.290 nan 0.000 0.552 330 E N 0.574 120.696 120.200 -0.129 0.000 2.077 330 E HA -0.149 4.197 4.350 -0.006 0.000 0.193 330 E C 2.937 179.534 176.600 -0.006 0.000 0.989 330 E CA 1.362 57.734 56.400 -0.047 0.000 0.800 330 E CB -0.107 29.571 29.700 -0.037 0.000 0.746 330 E HN 0.591 nan 8.360 nan 0.000 0.452 331 S N 0.248 115.933 115.700 -0.024 0.000 2.382 331 S HA -0.149 4.318 4.470 -0.006 0.000 0.228 331 S C 1.826 176.551 174.600 0.209 0.000 1.027 331 S CA 0.734 59.010 58.200 0.126 0.000 0.991 331 S CB -0.367 62.954 63.200 0.200 0.000 0.823 331 S HN 0.110 nan 8.310 nan 0.000 0.469 332 F N 2.446 122.187 119.950 -0.349 0.000 2.206 332 F HA 0.350 4.877 4.527 0.000 0.000 0.298 332 F C 2.819 178.525 175.800 -0.157 0.000 1.090 332 F CA -0.212 57.565 58.000 -0.371 0.000 1.323 332 F CB -1.193 37.297 39.000 -0.850 0.000 1.028 332 F HN 0.332 nan 8.300 nan 0.000 0.492 333 A N -1.098 121.758 122.820 0.060 0.000 1.898 333 A HA -0.242 4.074 4.320 -0.006 0.000 0.216 333 A C 2.115 179.749 177.584 0.084 0.000 1.181 333 A CA 1.430 53.514 52.037 0.077 0.000 0.620 333 A CB -1.385 17.663 19.000 0.080 0.000 0.819 333 A HN 0.440 nan 8.150 nan 0.000 0.442 334 Y N 0.496 120.785 120.300 -0.018 0.000 2.163 334 Y HA -0.093 4.453 4.550 -0.006 0.000 0.288 334 Y C 1.898 177.773 175.900 -0.041 0.000 1.136 334 Y CA 1.736 59.821 58.100 -0.024 0.000 1.147 334 Y CB -0.311 38.140 38.460 -0.016 0.000 0.987 334 Y HN 0.192 nan 8.280 nan 0.000 0.509 335 L N -0.193 121.001 121.223 -0.048 0.000 2.191 335 L HA -0.158 4.178 4.340 -0.006 0.000 0.212 335 L C 2.446 179.174 176.870 -0.235 0.000 1.103 335 L CA 1.023 55.758 54.840 -0.175 0.000 0.769 335 L CB -0.723 41.289 42.059 -0.078 0.000 0.908 335 L HN 0.344 nan 8.230 nan 0.000 0.438 336 A N -0.466 122.259 122.820 -0.158 0.000 2.238 336 A HA 0.272 4.588 4.320 -0.006 0.000 0.208 336 A C 1.751 179.282 177.584 -0.088 0.000 1.177 336 A CA 0.693 52.647 52.037 -0.139 0.000 0.804 336 A CB -0.447 18.532 19.000 -0.033 0.000 0.823 336 A HN 0.503 nan 8.150 nan 0.000 0.482 337 G N -1.044 107.667 108.800 -0.148 0.000 2.143 337 G HA2 -0.224 3.732 3.960 -0.006 0.000 0.248 337 G HA3 -0.224 3.732 3.960 -0.006 0.000 0.248 337 G C 0.114 174.975 174.900 -0.064 0.000 0.991 337 G CA 0.399 45.423 45.100 -0.127 0.000 0.689 337 G HN 0.445 nan 8.290 nan 0.000 0.522 338 L N -0.129 121.081 121.223 -0.022 0.000 2.453 338 L HA 0.340 4.676 4.340 -0.006 0.000 0.261 338 L C 1.766 178.636 176.870 -0.001 0.000 1.179 338 L CA -0.861 53.979 54.840 0.000 0.000 0.813 338 L CB 0.430 42.513 42.059 0.040 0.000 1.110 338 L HN 0.008 nan 8.230 nan 0.000 0.466 339 E N 0.480 120.675 120.200 -0.008 0.000 2.072 339 E HA -0.047 4.299 4.350 -0.006 0.000 0.190 339 E C 0.587 177.208 176.600 0.034 0.000 0.982 339 E CA 1.186 57.587 56.400 0.002 0.000 0.803 339 E CB 0.110 29.800 29.700 -0.017 0.000 0.755 339 E HN 0.829 nan 8.360 nan 0.000 0.453 340 T N -4.072 110.508 114.554 0.043 0.000 2.792 340 T HA 0.311 4.657 4.350 -0.006 0.000 0.303 340 T C 1.023 175.772 174.700 0.082 0.000 1.310 340 T CA -0.559 61.577 62.100 0.059 0.000 1.007 340 T CB 1.356 70.255 68.868 0.053 0.000 1.335 340 T HN -0.241 nan 8.240 nan 0.000 0.504 341 V N 1.389 121.360 119.914 0.096 0.000 2.469 341 V HA -0.144 3.972 4.120 -0.006 0.000 0.251 341 V C 2.895 179.134 176.094 0.241 0.000 1.064 341 V CA 2.527 64.912 62.300 0.141 0.000 1.066 341 V CB -1.048 30.834 31.823 0.100 0.000 0.667 341 V HN 1.008 nan 8.190 nan 0.000 0.461 342 S N -0.706 115.118 115.700 0.206 0.000 2.400 342 S HA -0.277 4.190 4.470 -0.006 0.000 0.232 342 S C 1.940 176.556 174.600 0.026 0.000 1.025 342 S CA 1.408 59.714 58.200 0.176 0.000 0.993 342 S CB -0.284 62.983 63.200 0.110 0.000 0.808 342 S HN 0.599 nan 8.310 nan 0.000 0.478 343 Q N 0.750 120.576 119.800 0.044 0.000 2.437 343 Q HA 0.180 4.516 4.340 -0.006 0.000 0.210 343 Q C 1.801 177.810 176.000 0.016 0.000 0.972 343 Q CA 0.438 56.247 55.803 0.011 0.000 0.903 343 Q CB -0.394 28.355 28.738 0.019 0.000 0.967 343 Q HN 0.490 nan 8.270 nan 0.000 0.486 344 L N -0.168 121.096 121.223 0.068 0.000 2.187 344 L HA -0.180 4.156 4.340 -0.006 0.000 0.213 344 L C 1.477 178.342 176.870 -0.007 0.000 1.100 344 L CA 0.837 55.735 54.840 0.097 0.000 0.765 344 L CB -0.169 42.031 42.059 0.234 0.000 0.904 344 L HN 0.240 nan 8.230 nan 0.000 0.437 345 N N -0.261 118.343 118.700 -0.159 0.000 2.322 345 N HA -0.046 4.690 4.740 -0.006 0.000 0.194 345 N C 0.048 175.425 175.510 -0.221 0.000 1.126 345 N CA 0.098 52.960 53.050 -0.314 0.000 0.845 345 N CB -0.019 37.972 38.487 -0.827 0.000 0.976 345 N HN 0.068 nan 8.380 nan 0.000 0.475 346 N N 0.681 119.295 118.700 -0.144 0.000 2.558 346 N HA 0.108 4.845 4.740 -0.006 0.000 0.242 346 N C 0.926 176.351 175.510 -0.142 0.000 0.979 346 N CA -0.304 52.675 53.050 -0.120 0.000 0.931 346 N CB 0.556 39.009 38.487 -0.056 0.000 1.122 346 N HN 0.229 nan 8.380 nan 0.000 0.508 347 R N 1.995 122.321 120.500 -0.290 0.000 2.115 347 R HA -0.019 4.317 4.340 -0.006 0.000 0.230 347 R C 0.233 176.328 176.300 -0.343 0.000 1.111 347 R CA 1.296 57.149 56.100 -0.411 0.000 0.976 347 R CB -0.304 29.580 30.300 -0.693 0.000 0.870 347 R HN 0.246 nan 8.270 nan 0.000 0.445 348 F N 1.235 121.190 119.950 0.009 0.000 2.693 348 F HA 0.316 4.841 4.527 -0.004 0.000 0.303 348 F C 0.669 176.479 175.800 0.016 0.000 1.097 348 F CA -1.154 56.855 58.000 0.015 0.000 1.330 348 F CB -0.046 38.962 39.000 0.013 0.000 1.067 348 F HN -0.073 nan 8.300 nan 0.000 0.565 349 L N 1.221 122.518 121.223 0.124 0.000 2.485 349 L HA 0.041 4.377 4.340 -0.006 0.000 0.279 349 L C 1.238 178.176 176.870 0.113 0.000 1.124 349 L CA -0.102 54.792 54.840 0.090 0.000 0.888 349 L CB 0.479 42.565 42.059 0.045 0.000 1.217 349 L HN 0.001 nan 8.230 nan 0.000 0.464 350 K N 3.885 124.355 120.400 0.117 0.000 1.968 350 K HA 0.018 4.334 4.320 -0.006 0.000 0.215 350 K C 0.580 177.321 176.600 0.234 0.000 1.040 350 K CA 2.252 58.625 56.287 0.143 0.000 0.959 350 K CB -0.130 32.434 32.500 0.108 0.000 0.740 350 K HN 0.668 nan 8.250 nan 0.000 0.443 351 F N -1.581 118.358 119.950 -0.017 0.000 2.381 351 F HA -0.274 4.248 4.527 -0.008 0.000 0.650 351 F C -1.474 174.295 175.800 -0.052 0.000 0.688 351 F CA 0.620 58.592 58.000 -0.046 0.000 0.875 351 F CB -0.731 38.234 39.000 -0.058 0.000 2.821 351 F HN 0.302 nan 8.300 nan 0.000 0.241 352 D N 1.653 122.345 120.400 0.486 0.000 2.374 352 D HA 0.369 5.005 4.640 -0.006 0.000 0.239 352 D C -0.721 175.654 176.300 0.124 0.000 0.991 352 D CA -0.324 53.815 54.000 0.233 0.000 0.960 352 D CB 1.348 42.311 40.800 0.272 0.000 1.284 352 D HN 0.398 nan 8.370 nan 0.000 0.512 353 E N 0.236 120.470 120.200 0.058 0.000 2.542 353 E HA 0.176 4.523 4.350 -0.006 0.000 0.224 353 E C -0.192 176.401 176.600 -0.013 0.000 1.110 353 E CA -0.347 56.069 56.400 0.027 0.000 1.350 353 E CB 0.495 30.201 29.700 0.010 0.000 1.302 353 E HN 0.281 nan 8.360 nan 0.000 0.435 354 R N 0.579 121.069 120.500 -0.017 0.000 2.368 354 R HA 0.553 4.889 4.340 -0.006 0.000 0.302 354 R C 0.081 176.273 176.300 -0.180 0.000 1.002 354 R CA -0.482 55.547 56.100 -0.117 0.000 0.929 354 R CB 1.568 31.815 30.300 -0.087 0.000 1.073 354 R HN 0.035 nan 8.270 nan 0.000 0.464 355 A N 3.400 125.907 122.820 -0.521 0.000 2.407 355 A HA 0.500 4.816 4.320 -0.006 0.000 0.248 355 A C -0.358 176.670 177.584 -0.927 0.000 1.082 355 A CA -0.083 51.492 52.037 -0.770 0.000 0.785 355 A CB 0.065 18.426 19.000 -1.065 0.000 1.020 355 A HN 0.683 nan 8.150 nan 0.000 0.489 356 F N -0.683 118.843 119.950 -0.707 0.000 2.668 356 F HA 0.799 5.323 4.527 -0.006 0.000 0.309 356 F C -0.872 174.828 175.800 -0.168 0.000 1.117 356 F CA -1.063 56.676 58.000 -0.434 0.000 0.951 356 F CB 1.632 40.493 39.000 -0.231 0.000 1.323 356 F HN 0.556 nan 8.300 nan 0.000 0.451 357 K N 1.059 121.573 120.400 0.191 0.000 2.426 357 K HA 0.644 4.960 4.320 -0.006 0.000 0.251 357 K C -1.704 175.002 176.600 0.176 0.000 0.941 357 K CA -0.453 55.913 56.287 0.132 0.000 0.808 357 K CB 2.508 35.116 32.500 0.180 0.000 1.265 357 K HN 1.036 nan 8.250 nan 0.000 0.432 358 T N 1.580 116.163 114.554 0.049 0.000 2.896 358 T HA 0.577 4.923 4.350 -0.006 0.000 0.297 358 T C -1.563 173.167 174.700 0.050 0.000 1.108 358 T CA -0.628 61.472 62.100 0.000 0.000 1.004 358 T CB 1.289 70.020 68.868 -0.228 0.000 1.159 358 T HN 0.583 nan 8.240 nan 0.000 0.499 359 K N 1.379 121.870 120.400 0.152 0.000 2.482 359 K HA 0.800 5.116 4.320 -0.006 0.000 0.257 359 K C -1.727 175.076 176.600 0.338 0.000 0.969 359 K CA -0.970 55.425 56.287 0.179 0.000 0.842 359 K CB 2.699 35.193 32.500 -0.009 0.000 1.359 359 K HN 0.402 nan 8.250 nan 0.000 0.441 360 V N 1.048 121.168 119.914 0.344 0.000 2.925 360 V HA 0.468 4.584 4.120 -0.006 0.000 0.311 360 V C -1.707 174.578 176.094 0.318 0.000 1.104 360 V CA -0.507 61.943 62.300 0.249 0.000 0.954 360 V CB 2.175 34.110 31.823 0.187 0.000 1.022 360 V HN 0.725 nan 8.190 nan 0.000 0.427 361 D N 3.759 124.247 120.400 0.147 0.000 2.527 361 D HA 0.559 5.195 4.640 -0.006 0.000 0.233 361 D C -1.325 174.917 176.300 -0.097 0.000 1.063 361 D CA -0.278 53.776 54.000 0.091 0.000 0.880 361 D CB 2.273 43.159 40.800 0.142 0.000 1.457 361 D HN 0.263 nan 8.370 nan 0.000 0.475 362 L N 1.011 122.129 121.223 -0.176 0.000 2.342 362 L HA 0.524 4.861 4.340 -0.006 0.000 0.271 362 L C 0.724 177.447 176.870 -0.246 0.000 1.008 362 L CA -0.593 54.055 54.840 -0.320 0.000 0.818 362 L CB 1.395 43.153 42.059 -0.502 0.000 1.296 362 L HN 0.513 nan 8.230 nan 0.000 0.427 363 T N -1.739 112.659 114.554 -0.259 0.000 2.924 363 T HA 0.612 4.958 4.350 -0.006 0.000 0.291 363 T C 0.338 174.941 174.700 -0.162 0.000 1.045 363 T CA -0.661 61.336 62.100 -0.172 0.000 1.015 363 T CB 2.679 71.468 68.868 -0.132 0.000 1.103 363 T HN 0.632 nan 8.240 nan 0.000 0.496 364 K N -0.068 120.270 120.400 -0.105 0.000 2.474 364 K HA 0.250 4.566 4.320 -0.006 0.000 0.202 364 K C 0.157 176.730 176.600 -0.044 0.000 1.248 364 K CA 0.032 56.277 56.287 -0.071 0.000 0.946 364 K CB 0.850 33.318 32.500 -0.053 0.000 1.102 364 K HN 0.663 nan 8.250 nan 0.000 0.541 365 E N 1.415 121.591 120.200 -0.039 0.000 2.244 365 E HA 0.293 4.639 4.350 -0.006 0.000 0.266 365 E C -2.778 173.808 176.600 -0.024 0.000 0.914 365 E CA -2.500 53.893 56.400 -0.011 0.000 0.794 365 E CB 1.578 31.283 29.700 0.007 0.000 1.210 365 E HN -0.181 nan 8.360 nan 0.000 0.414 366 P HA -0.020 nan 4.420 nan 0.000 0.267 366 P C -0.729 176.555 177.300 -0.028 0.000 1.200 366 P CA 0.219 63.289 63.100 -0.050 0.000 0.772 366 P CB 0.430 32.189 31.700 0.100 0.000 0.855 367 L N 5.186 126.351 121.223 -0.095 0.000 2.367 367 L HA 0.294 4.630 4.340 -0.006 0.000 0.275 367 L C -1.705 175.157 176.870 -0.014 0.000 1.129 367 L CA -1.912 52.826 54.840 -0.169 0.000 0.839 367 L CB 0.424 42.198 42.059 -0.476 0.000 1.133 367 L HN 0.248 nan 8.230 nan 0.000 0.453 368 P HA 0.020 nan 4.420 nan 0.000 0.274 368 P C 0.455 177.777 177.300 0.037 0.000 1.237 368 P CA -0.365 62.756 63.100 0.034 0.000 0.793 368 P CB 1.207 32.873 31.700 -0.058 0.000 0.977 369 S N 2.037 117.754 115.700 0.029 0.000 2.387 369 S HA -0.208 4.258 4.470 -0.006 0.000 0.230 369 S C 1.617 176.274 174.600 0.095 0.000 1.035 369 S CA 1.885 60.108 58.200 0.039 0.000 1.014 369 S CB -0.838 62.226 63.200 -0.227 0.000 0.836 369 S HN 0.630 nan 8.310 nan 0.000 0.466 370 K N 0.558 120.948 120.400 -0.016 0.000 2.280 370 K HA 0.098 4.414 4.320 -0.006 0.000 0.202 370 K C 2.079 178.684 176.600 0.007 0.000 1.047 370 K CA 1.153 57.454 56.287 0.024 0.000 0.942 370 K CB -0.471 32.034 32.500 0.008 0.000 0.739 370 K HN 0.366 nan 8.250 nan 0.000 0.457 371 A N 1.282 123.886 122.820 -0.360 0.000 1.872 371 A HA -0.012 4.304 4.320 -0.006 0.000 0.214 371 A C 1.775 179.305 177.584 -0.090 0.000 1.187 371 A CA 0.862 52.545 52.037 -0.591 0.000 0.614 371 A CB -0.651 17.558 19.000 -1.318 0.000 0.826 371 A HN 0.301 nan 8.150 nan 0.000 0.442 372 F N -1.739 118.245 119.950 0.057 0.000 2.146 372 F HA -0.099 4.424 4.527 -0.006 0.000 0.298 372 F C 2.178 178.060 175.800 0.137 0.000 1.096 372 F CA 1.183 59.255 58.000 0.120 0.000 1.275 372 F CB -0.996 38.085 39.000 0.135 0.000 1.008 372 F HN 0.390 nan 8.300 nan 0.000 0.480 373 Y N 0.640 121.068 120.300 0.214 0.000 2.097 373 Y HA -0.173 4.373 4.550 -0.006 0.000 0.282 373 Y C 2.604 178.547 175.900 0.071 0.000 1.152 373 Y CA 1.777 59.952 58.100 0.124 0.000 1.136 373 Y CB -0.886 37.625 38.460 0.086 0.000 0.975 373 Y HN 0.021 nan 8.280 nan 0.000 0.498 374 G N -0.277 108.679 108.800 0.262 0.000 2.422 374 G HA2 -0.270 3.687 3.960 -0.006 0.000 0.218 374 G HA3 -0.270 3.687 3.960 -0.006 0.000 0.218 374 G C 1.537 176.279 174.900 -0.263 0.000 1.146 374 G CA 0.994 46.037 45.100 -0.095 0.000 0.769 374 G HN 0.399 nan 8.290 nan 0.000 0.547 375 L N 0.453 121.710 121.223 0.056 0.000 2.027 375 L HA 0.131 4.468 4.340 -0.006 0.000 0.206 375 L C 2.755 179.667 176.870 0.070 0.000 1.074 375 L CA 1.283 56.189 54.840 0.111 0.000 0.745 375 L CB -0.516 41.709 42.059 0.276 0.000 0.898 375 L HN 0.201 nan 8.230 nan 0.000 0.433 376 L N -0.999 120.247 121.223 0.038 0.000 2.083 376 L HA -0.208 4.129 4.340 -0.006 0.000 0.209 376 L C 2.458 179.280 176.870 -0.079 0.000 1.083 376 L CA 1.230 56.049 54.840 -0.036 0.000 0.752 376 L CB -0.556 41.442 42.059 -0.102 0.000 0.899 376 L HN 0.345 nan 8.230 nan 0.000 0.433 377 E N -0.027 120.089 120.200 -0.140 0.000 2.077 377 E HA -0.212 4.134 4.350 -0.006 0.000 0.193 377 E C 2.365 178.961 176.600 -0.008 0.000 0.989 377 E CA 1.030 57.363 56.400 -0.112 0.000 0.800 377 E CB 0.003 29.631 29.700 -0.118 0.000 0.746 377 E HN 0.432 nan 8.360 nan 0.000 0.452 378 R N 0.302 120.808 120.500 0.011 0.000 2.092 378 R HA -0.056 4.280 4.340 -0.006 0.000 0.231 378 R C 2.481 179.057 176.300 0.460 0.000 1.119 378 R CA 0.727 56.941 56.100 0.190 0.000 0.970 378 R CB -0.259 30.045 30.300 0.007 0.000 0.864 378 R HN 0.172 nan 8.270 nan 0.000 0.440 379 L N 0.852 122.281 121.223 0.344 0.000 2.083 379 L HA -0.174 4.162 4.340 -0.006 0.000 0.209 379 L C 2.646 179.576 176.870 0.100 0.000 1.083 379 L CA 1.499 56.505 54.840 0.276 0.000 0.752 379 L CB -0.511 41.644 42.059 0.160 0.000 0.899 379 L HN 0.280 nan 8.230 nan 0.000 0.433 380 S N -0.373 115.364 115.700 0.063 0.000 2.442 380 S HA -0.180 4.287 4.470 -0.006 0.000 0.236 380 S C 1.765 176.385 174.600 0.034 0.000 1.007 380 S CA 0.919 59.134 58.200 0.026 0.000 0.965 380 S CB -0.229 62.967 63.200 -0.007 0.000 0.773 380 S HN 0.433 nan 8.310 nan 0.000 0.504 381 K N 0.212 120.650 120.400 0.065 0.000 2.393 381 K HA 0.240 4.557 4.320 -0.006 0.000 0.193 381 K C 0.124 176.713 176.600 -0.018 0.000 1.026 381 K CA 0.338 56.657 56.287 0.053 0.000 1.064 381 K CB 0.296 32.861 32.500 0.107 0.000 0.833 381 K HN 0.287 nan 8.250 nan 0.000 0.521 382 E N 0.558 120.688 120.200 -0.117 0.000 2.761 382 E HA 0.168 4.514 4.350 -0.006 0.000 0.266 382 E C -2.512 173.930 176.600 -0.263 0.000 1.097 382 E CA -2.311 53.885 56.400 -0.341 0.000 0.773 382 E CB 1.092 30.134 29.700 -1.096 0.000 1.453 382 E HN -0.196 nan 8.360 nan 0.000 0.388 383 P HA -0.020 nan 4.420 nan 0.000 0.225 383 P C 0.196 177.505 177.300 0.015 0.000 1.148 383 P CA 0.760 63.870 63.100 0.016 0.000 0.779 383 P CB 0.316 32.044 31.700 0.046 0.000 0.780 384 N N -1.080 117.575 118.700 -0.076 0.000 2.467 384 N HA 0.052 4.788 4.740 -0.006 0.000 0.184 384 N C 1.038 176.498 175.510 -0.084 0.000 1.106 384 N CA 0.384 53.373 53.050 -0.101 0.000 0.892 384 N CB -0.261 38.036 38.487 -0.317 0.000 0.969 384 N HN 0.092 nan 8.380 nan 0.000 0.454 385 G N -0.279 108.377 108.800 -0.239 0.000 2.412 385 G HA2 0.562 4.518 3.960 -0.006 0.000 0.318 385 G HA3 0.562 4.518 3.960 -0.006 0.000 0.318 385 G C -0.682 174.369 174.900 0.251 0.000 1.146 385 G CA -0.476 44.493 45.100 -0.218 0.000 0.882 385 G HN 0.183 nan 8.290 nan 0.000 0.501 386 F N -0.455 119.602 119.950 0.180 0.000 2.741 386 F HA 0.750 5.273 4.527 -0.007 0.000 0.313 386 F C -0.960 174.954 175.800 0.189 0.000 1.153 386 F CA -1.725 56.368 58.000 0.155 0.000 0.931 386 F CB 1.313 40.435 39.000 0.203 0.000 1.335 386 F HN 0.637 nan 8.300 nan 0.000 0.460 387 I N 0.276 120.981 120.570 0.226 0.000 2.785 387 I HA 0.982 5.148 4.170 -0.006 0.000 0.302 387 I C -1.201 175.013 176.117 0.161 0.000 1.069 387 I CA -1.315 60.047 61.300 0.103 0.000 1.045 387 I CB 2.106 40.174 38.000 0.113 0.000 1.236 387 I HN 0.992 nan 8.210 nan 0.000 0.429 388 A N 6.350 129.234 122.820 0.107 0.000 2.330 388 A HA 0.850 5.166 4.320 -0.006 0.000 0.313 388 A C -0.988 176.664 177.584 0.114 0.000 1.124 388 A CA -0.597 51.559 52.037 0.198 0.000 0.774 388 A CB 1.167 20.392 19.000 0.376 0.000 1.198 388 A HN 0.736 nan 8.150 nan 0.000 0.465 389 L N 3.088 124.352 121.223 0.070 0.000 2.356 389 L HA 0.528 4.864 4.340 -0.006 0.000 0.277 389 L C -0.565 176.464 176.870 0.265 0.000 0.996 389 L CA -0.695 54.163 54.840 0.030 0.000 0.822 389 L CB 1.844 43.647 42.059 -0.426 0.000 1.256 389 L HN 0.652 nan 8.230 nan 0.000 0.413 390 N N 1.495 120.450 118.700 0.425 0.000 2.258 390 N HA 0.476 5.213 4.740 -0.006 0.000 0.299 390 N C -0.504 175.331 175.510 0.542 0.000 1.047 390 N CA -0.397 52.975 53.050 0.537 0.000 0.814 390 N CB 2.944 41.661 38.487 0.383 0.000 1.413 390 N HN 0.746 nan 8.380 nan 0.000 0.478 391 G N 0.829 109.935 108.800 0.509 0.000 2.400 391 G HA2 0.498 4.454 3.960 -0.006 0.000 0.301 391 G HA3 0.498 4.454 3.960 -0.006 0.000 0.301 391 G C -0.295 174.929 174.900 0.539 0.000 1.154 391 G CA -0.090 45.185 45.100 0.291 0.000 0.852 391 G HN 0.281 nan 8.290 nan 0.000 0.511 392 F N 0.726 120.723 119.950 0.078 0.000 2.589 392 F HA 0.733 5.257 4.527 -0.005 0.000 0.207 392 F C 1.548 177.400 175.800 0.086 0.000 1.028 392 F CA 0.002 58.076 58.000 0.123 0.000 1.009 392 F CB -0.462 38.588 39.000 0.082 0.000 2.173 392 F HN 0.957 nan 8.300 nan 0.000 0.637 393 G N -0.535 108.438 108.800 0.287 0.000 2.681 393 G HA2 0.357 4.314 3.960 -0.006 0.000 0.220 393 G HA3 0.357 4.314 3.960 -0.006 0.000 0.220 393 G C 0.410 175.364 174.900 0.091 0.000 1.353 393 G CA -0.096 45.092 45.100 0.146 0.000 0.872 393 G HN 1.806 nan 8.290 nan 0.000 0.557 394 G N -1.818 107.015 108.800 0.056 0.000 2.596 394 G HA2 -0.166 3.790 3.960 -0.006 0.000 0.295 394 G HA3 -0.166 3.790 3.960 -0.006 0.000 0.295 394 G C 1.162 176.055 174.900 -0.011 0.000 1.240 394 G CA 1.435 46.545 45.100 0.017 0.000 0.985 394 G HN 1.551 nan 8.290 nan 0.000 0.555 395 Q N -0.398 119.367 119.800 -0.058 0.000 2.364 395 Q HA 0.070 4.406 4.340 -0.006 0.000 0.207 395 Q C 2.904 178.877 176.000 -0.045 0.000 0.970 395 Q CA 1.251 57.010 55.803 -0.074 0.000 0.888 395 Q CB -0.200 28.463 28.738 -0.124 0.000 0.951 395 Q HN 0.613 nan 8.270 nan 0.000 0.469 396 M N -0.493 119.089 119.600 -0.028 0.000 2.374 396 M HA -0.053 4.423 4.480 -0.006 0.000 0.264 396 M C 1.600 177.956 176.300 0.094 0.000 1.067 396 M CA 1.007 56.314 55.300 0.011 0.000 1.103 396 M CB -0.466 32.104 32.600 -0.049 0.000 1.402 396 M HN -0.055 nan 8.290 nan 0.000 0.444 397 S N -0.281 115.467 115.700 0.080 0.000 2.575 397 S HA 0.080 4.546 4.470 -0.006 0.000 0.215 397 S C 1.577 176.205 174.600 0.047 0.000 0.966 397 S CA 0.319 58.570 58.200 0.085 0.000 0.911 397 S CB 0.234 63.482 63.200 0.080 0.000 0.780 397 S HN 0.450 nan 8.310 nan 0.000 0.514 398 K N 0.443 120.852 120.400 0.015 0.000 2.354 398 K HA 0.295 4.611 4.320 -0.006 0.000 0.194 398 K C -0.083 176.496 176.600 -0.035 0.000 1.038 398 K CA 0.202 56.481 56.287 -0.014 0.000 1.052 398 K CB 0.461 32.938 32.500 -0.038 0.000 0.861 398 K HN 0.285 nan 8.250 nan 0.000 0.535 399 I N 2.442 122.997 120.570 -0.025 0.000 2.395 399 I HA -0.012 4.154 4.170 -0.006 0.000 0.289 399 I C 0.624 176.777 176.117 0.060 0.000 1.023 399 I CA -0.478 60.793 61.300 -0.047 0.000 1.350 399 I CB 1.375 39.350 38.000 -0.041 0.000 1.409 399 I HN 0.054 nan 8.210 nan 0.000 0.507 400 S N 3.269 119.018 115.700 0.083 0.000 2.579 400 S HA 0.014 4.480 4.470 -0.006 0.000 0.275 400 S C 1.286 176.010 174.600 0.207 0.000 1.345 400 S CA -0.198 58.086 58.200 0.141 0.000 1.031 400 S CB 1.229 64.519 63.200 0.150 0.000 0.892 400 S HN 0.789 nan 8.310 nan 0.000 0.529 401 S N 0.237 116.038 115.700 0.169 0.000 2.469 401 S HA -0.148 4.318 4.470 -0.006 0.000 0.238 401 S C 0.912 175.649 174.600 0.227 0.000 0.998 401 S CA 0.957 59.257 58.200 0.166 0.000 0.957 401 S CB -0.606 62.659 63.200 0.109 0.000 0.764 401 S HN 0.929 nan 8.310 nan 0.000 0.514 402 D N -0.578 119.982 120.400 0.266 0.000 2.479 402 D HA 0.084 4.720 4.640 -0.006 0.000 0.218 402 D C 1.005 177.588 176.300 0.472 0.000 1.177 402 D CA -0.647 53.569 54.000 0.359 0.000 0.830 402 D CB -0.754 40.177 40.800 0.218 0.000 1.014 402 D HN 0.332 nan 8.370 nan 0.000 0.503 403 F N 2.887 122.998 119.950 0.268 0.000 2.095 403 F HA -0.058 4.465 4.527 -0.007 0.000 0.298 403 F C 0.783 176.794 175.800 0.351 0.000 1.104 403 F CA 1.771 59.924 58.000 0.254 0.000 1.232 403 F CB -0.228 38.863 39.000 0.151 0.000 0.987 403 F HN 0.044 nan 8.300 nan 0.000 0.475 404 T N -4.404 110.233 114.554 0.139 0.000 2.864 404 T HA 0.400 4.746 4.350 -0.006 0.000 0.289 404 T C -2.106 172.463 174.700 -0.217 0.000 1.082 404 T CA -1.698 60.229 62.100 -0.287 0.000 1.009 404 T CB 1.378 70.053 68.868 -0.322 0.000 1.234 404 T HN -0.330 nan 8.240 nan 0.000 0.526 405 P HA 0.049 nan 4.420 nan 0.000 0.219 405 P C 0.175 177.575 177.300 0.167 0.000 1.146 405 P CA 0.445 63.308 63.100 -0.395 0.000 0.808 405 P CB -0.159 31.146 31.700 -0.658 0.000 0.779 406 F N 2.338 122.323 119.950 0.057 0.000 2.533 406 F HA 0.128 4.652 4.527 -0.005 0.000 0.378 406 F C -1.573 174.247 175.800 0.032 0.000 1.070 406 F CA -1.986 56.074 58.000 0.100 0.000 1.172 406 F CB 0.673 39.720 39.000 0.077 0.000 1.085 406 F HN -0.001 nan 8.300 nan 0.000 0.552 407 P HA -0.010 nan 4.420 nan 0.000 0.264 407 P C -0.449 176.610 177.300 -0.402 0.000 1.259 407 P CA 0.469 63.346 63.100 -0.371 0.000 0.841 407 P CB 0.213 31.692 31.700 -0.368 0.000 1.232 408 H N 1.250 120.047 119.070 -0.455 0.000 2.982 408 H HA 0.287 4.839 4.556 -0.007 0.000 0.261 408 H C 1.017 176.500 175.328 0.258 0.000 1.603 408 H CA 0.035 55.990 56.048 -0.156 0.000 1.398 408 H CB 0.477 30.056 29.762 -0.305 0.000 1.693 408 H HN 0.040 nan 8.280 nan 0.000 0.535 409 R N 0.466 121.132 120.500 0.276 0.000 2.495 409 R HA 0.156 4.492 4.340 -0.006 0.000 0.109 409 R C 0.565 177.000 176.300 0.225 0.000 1.362 409 R CA -0.811 55.462 56.100 0.287 0.000 1.165 409 R CB -0.523 29.903 30.300 0.210 0.000 1.003 409 R HN 0.296 nan 8.270 nan 0.000 0.412 410 S N -0.070 115.720 115.700 0.151 0.000 2.558 410 S HA 0.240 4.706 4.470 -0.006 0.000 0.293 410 S C 1.079 175.738 174.600 0.098 0.000 1.292 410 S CA 1.425 59.692 58.200 0.112 0.000 1.063 410 S CB -0.105 63.142 63.200 0.079 0.000 0.831 410 S HN 0.685 nan 8.310 nan 0.000 0.499 411 G N 3.287 112.135 108.800 0.079 0.000 2.241 411 G HA2 -0.227 3.729 3.960 -0.006 0.000 0.244 411 G HA3 -0.227 3.729 3.960 -0.006 0.000 0.244 411 G C 0.213 175.128 174.900 0.026 0.000 0.998 411 G CA 0.247 45.376 45.100 0.048 0.000 0.621 411 G HN 0.943 nan 8.290 nan 0.000 0.519 412 T N 1.303 115.888 114.554 0.051 0.000 2.794 412 T HA 0.539 4.885 4.350 -0.006 0.000 0.296 412 T C 1.424 176.076 174.700 -0.080 0.000 0.949 412 T CA 0.178 62.246 62.100 -0.054 0.000 1.101 412 T CB 1.695 70.541 68.868 -0.036 0.000 0.905 412 T HN 0.418 nan 8.240 nan 0.000 0.516 413 R N 2.018 122.417 120.500 -0.169 0.000 2.072 413 R HA 0.353 4.690 4.340 -0.006 0.000 0.214 413 R C 0.227 176.411 176.300 -0.193 0.000 1.168 413 R CA 0.459 56.481 56.100 -0.130 0.000 1.020 413 R CB 0.118 30.343 30.300 -0.124 0.000 0.914 413 R HN 0.432 nan 8.270 nan 0.000 0.449 414 L N 0.370 121.419 121.223 -0.290 0.000 2.350 414 L HA 0.535 4.871 4.340 -0.006 0.000 0.260 414 L C -0.839 175.766 176.870 -0.443 0.000 1.015 414 L CA -0.896 53.807 54.840 -0.228 0.000 0.821 414 L CB 2.278 44.334 42.059 -0.005 0.000 1.370 414 L HN 0.020 nan 8.230 nan 0.000 0.416 415 M N 1.996 121.409 119.600 -0.311 0.000 2.294 415 M HA 0.632 5.108 4.480 -0.006 0.000 0.335 415 M C -1.709 174.536 176.300 -0.093 0.000 1.079 415 M CA -0.573 54.562 55.300 -0.276 0.000 0.982 415 M CB 1.782 34.208 32.600 -0.290 0.000 1.651 415 M HN 0.335 nan 8.290 nan 0.000 0.437 416 V N 4.254 124.083 119.914 -0.142 0.000 2.407 416 V HA 0.437 4.553 4.120 -0.006 0.000 0.291 416 V C -0.725 175.118 176.094 -0.419 0.000 1.018 416 V CA -0.681 61.493 62.300 -0.210 0.000 0.842 416 V CB 1.603 33.299 31.823 -0.211 0.000 0.996 416 V HN 0.864 nan 8.190 nan 0.000 0.426 417 E N 3.641 123.642 120.200 -0.331 0.000 2.179 417 E HA 0.585 4.932 4.350 -0.006 0.000 0.275 417 E C -1.830 174.526 176.600 -0.407 0.000 0.945 417 E CA -0.639 55.597 56.400 -0.273 0.000 0.792 417 E CB 1.482 31.226 29.700 0.072 0.000 1.125 417 E HN 0.643 nan 8.360 nan 0.000 0.397 418 Y N 3.522 123.870 120.300 0.080 0.000 2.328 418 Y HA 0.484 5.031 4.550 -0.006 0.000 0.336 418 Y C -0.447 175.437 175.900 -0.027 0.000 0.960 418 Y CA -0.918 57.208 58.100 0.045 0.000 1.134 418 Y CB 0.951 39.465 38.460 0.089 0.000 1.166 418 Y HN 0.338 nan 8.280 nan 0.000 0.464 419 I N 3.348 123.879 120.570 -0.063 0.000 2.545 419 I HA 0.563 4.729 4.170 -0.006 0.000 0.292 419 I C -1.010 175.077 176.117 -0.049 0.000 1.040 419 I CA -0.893 60.262 61.300 -0.242 0.000 1.068 419 I CB 2.218 39.667 38.000 -0.918 0.000 1.251 419 I HN 0.411 nan 8.210 nan 0.000 0.424 420 V N 5.106 125.110 119.914 0.149 0.000 2.588 420 V HA 0.947 5.063 4.120 -0.006 0.000 0.304 420 V C -0.901 175.337 176.094 0.240 0.000 1.042 420 V CA -0.192 62.220 62.300 0.186 0.000 0.877 420 V CB 1.595 33.603 31.823 0.308 0.000 0.996 420 V HN 0.916 nan 8.190 nan 0.000 0.425 421 A N 6.118 129.023 122.820 0.142 0.000 2.449 421 A HA 1.004 5.320 4.320 -0.006 0.000 0.302 421 A C -1.481 176.115 177.584 0.019 0.000 1.048 421 A CA -0.514 51.566 52.037 0.071 0.000 0.708 421 A CB 1.449 20.507 19.000 0.098 0.000 1.274 421 A HN 1.624 nan 8.150 nan 0.000 0.410 422 W N 1.645 122.831 121.300 -0.190 0.000 3.118 422 W HA 0.691 5.348 4.660 -0.005 0.000 0.328 422 W C -0.620 175.882 176.519 -0.028 0.000 1.239 422 W CA -0.693 56.537 57.345 -0.193 0.000 1.176 422 W CB 0.624 29.919 29.460 -0.277 0.000 1.433 422 W HN 0.841 nan 8.180 nan 0.000 0.562 423 N N -0.080 118.717 118.700 0.162 0.000 2.530 423 N HA 0.278 5.014 4.740 -0.006 0.000 0.283 423 N C 0.642 176.271 175.510 0.199 0.000 1.238 423 N CA -0.501 52.600 53.050 0.085 0.000 0.971 423 N CB 0.660 39.183 38.487 0.061 0.000 1.195 423 N HN 0.741 nan 8.380 nan 0.000 0.583 424 Q N -0.618 119.252 119.800 0.118 0.000 2.112 424 Q HA -0.197 4.139 4.340 -0.006 0.000 0.206 424 Q C 1.532 177.622 176.000 0.151 0.000 0.987 424 Q CA 2.322 58.204 55.803 0.132 0.000 0.858 424 Q CB -0.361 28.419 28.738 0.070 0.000 0.905 424 Q HN 0.844 nan 8.270 nan 0.000 0.420 425 S N 0.126 115.901 115.700 0.124 0.000 2.507 425 S HA -0.117 4.349 4.470 -0.006 0.000 0.235 425 S C 1.145 175.825 174.600 0.134 0.000 0.988 425 S CA 0.935 59.198 58.200 0.104 0.000 0.944 425 S CB 0.010 63.255 63.200 0.076 0.000 0.762 425 S HN 0.358 nan 8.310 nan 0.000 0.526 426 E N 0.038 120.369 120.200 0.218 0.000 2.501 426 E HA 0.179 4.525 4.350 -0.006 0.000 0.201 426 E C 1.477 178.213 176.600 0.227 0.000 1.016 426 E CA -0.296 56.258 56.400 0.257 0.000 0.920 426 E CB 0.052 29.994 29.700 0.404 0.000 1.023 426 E HN 0.332 nan 8.360 nan 0.000 0.474 427 Q N 1.201 121.139 119.800 0.231 0.000 2.197 427 Q HA -0.192 4.145 4.340 -0.006 0.000 0.207 427 Q C 1.520 177.517 176.000 -0.004 0.000 0.984 427 Q CA 1.308 57.213 55.803 0.169 0.000 0.869 427 Q CB -0.011 28.841 28.738 0.190 0.000 0.906 427 Q HN 0.301 nan 8.270 nan 0.000 0.426 428 K N 0.339 120.728 120.400 -0.019 0.000 2.160 428 K HA -0.156 4.160 4.320 -0.006 0.000 0.206 428 K C 1.637 178.121 176.600 -0.194 0.000 1.047 428 K CA 1.176 57.415 56.287 -0.080 0.000 0.930 428 K CB -0.025 32.439 32.500 -0.060 0.000 0.720 428 K HN 0.107 nan 8.250 nan 0.000 0.450 429 K N 0.739 120.957 120.400 -0.304 0.000 2.417 429 K HA 0.013 4.329 4.320 -0.006 0.000 0.196 429 K C 1.486 177.587 176.600 -0.832 0.000 1.023 429 K CA 0.016 55.917 56.287 -0.642 0.000 1.122 429 K CB 0.315 32.234 32.500 -0.968 0.000 0.850 429 K HN 0.088 nan 8.250 nan 0.000 0.521 430 K N 1.174 121.246 120.400 -0.546 0.000 2.020 430 K HA -0.228 4.088 4.320 -0.006 0.000 0.212 430 K C 2.164 178.528 176.600 -0.394 0.000 1.050 430 K CA 2.095 58.026 56.287 -0.594 0.000 0.929 430 K CB -0.197 32.094 32.500 -0.347 0.000 0.714 430 K HN 0.036 nan 8.250 nan 0.000 0.443 431 T N 0.260 114.657 114.554 -0.263 0.000 2.833 431 T HA -0.171 4.175 4.350 -0.006 0.000 0.269 431 T C 1.746 176.345 174.700 -0.168 0.000 1.054 431 T CA 1.813 63.816 62.100 -0.161 0.000 1.135 431 T CB -0.178 68.625 68.868 -0.109 0.000 0.869 431 T HN 0.467 nan 8.240 nan 0.000 0.466 432 E N -1.036 118.989 120.200 -0.293 0.000 2.072 432 E HA -0.101 4.246 4.350 -0.006 0.000 0.191 432 E C 1.816 178.313 176.600 -0.170 0.000 0.985 432 E CA 1.070 57.306 56.400 -0.273 0.000 0.801 432 E CB -0.221 29.228 29.700 -0.419 0.000 0.750 432 E HN 0.578 nan 8.360 nan 0.000 0.452 433 F N 1.139 120.995 119.950 -0.157 0.000 2.102 433 F HA -0.153 4.371 4.527 -0.006 0.000 0.298 433 F C 2.267 178.112 175.800 0.075 0.000 1.105 433 F CA 0.949 58.897 58.000 -0.087 0.000 1.239 433 F CB -0.684 38.119 39.000 -0.327 0.000 0.991 433 F HN 0.062 nan 8.300 nan 0.000 0.474 434 L N -0.433 120.882 121.223 0.153 0.000 2.131 434 L HA -0.211 4.125 4.340 -0.006 0.000 0.210 434 L C 2.105 179.056 176.870 0.135 0.000 1.092 434 L CA 1.698 56.627 54.840 0.149 0.000 0.759 434 L CB -0.729 41.372 42.059 0.069 0.000 0.903 434 L HN 0.127 nan 8.230 nan 0.000 0.435 435 D N -0.499 119.962 120.400 0.101 0.000 2.117 435 D HA -0.262 4.374 4.640 -0.006 0.000 0.198 435 D C 1.997 178.373 176.300 0.127 0.000 0.982 435 D CA 1.040 55.088 54.000 0.080 0.000 0.828 435 D CB -0.120 40.705 40.800 0.042 0.000 0.967 435 D HN 0.314 nan 8.370 nan 0.000 0.464 436 W N 0.421 121.740 121.300 0.032 0.000 2.335 436 W HA -0.179 4.477 4.660 -0.007 0.000 0.311 436 W C 1.937 178.492 176.519 0.060 0.000 1.213 436 W CA 1.230 58.607 57.345 0.053 0.000 1.274 436 W CB -0.592 28.928 29.460 0.099 0.000 1.148 436 W HN 0.133 nan 8.180 nan 0.000 0.498 437 L N 1.324 122.675 121.223 0.214 0.000 2.046 437 L HA -0.156 4.180 4.340 -0.006 0.000 0.208 437 L C 2.449 179.244 176.870 -0.126 0.000 1.077 437 L CA 2.669 57.502 54.840 -0.012 0.000 0.747 437 L CB -1.306 40.896 42.059 0.238 0.000 0.896 437 L HN 0.267 nan 8.230 nan 0.000 0.432 438 E N -0.535 119.644 120.200 -0.034 0.000 2.085 438 E HA -0.267 4.079 4.350 -0.006 0.000 0.194 438 E C 2.070 178.637 176.600 -0.054 0.000 0.994 438 E CA 1.440 57.828 56.400 -0.021 0.000 0.801 438 E CB -0.024 29.681 29.700 0.008 0.000 0.743 438 E HN 0.514 nan 8.360 nan 0.000 0.453 439 K N -0.006 120.317 120.400 -0.127 0.000 2.148 439 K HA -0.071 4.245 4.320 -0.006 0.000 0.204 439 K C 2.167 178.640 176.600 -0.212 0.000 1.050 439 K CA 1.009 57.210 56.287 -0.143 0.000 0.942 439 K CB 0.095 32.508 32.500 -0.144 0.000 0.724 439 K HN 0.060 nan 8.250 nan 0.000 0.446 440 V N 0.657 120.312 119.914 -0.432 0.000 2.295 440 V HA -0.266 3.851 4.120 -0.006 0.000 0.246 440 V C 2.014 177.912 176.094 -0.328 0.000 1.049 440 V CA 1.634 63.653 62.300 -0.467 0.000 1.024 440 V CB -0.511 30.808 31.823 -0.839 0.000 0.648 440 V HN 0.251 nan 8.190 nan 0.000 0.447 441 Y N 1.236 121.262 120.300 -0.457 0.000 2.181 441 Y HA -0.258 4.288 4.550 -0.007 0.000 0.288 441 Y C 2.566 178.339 175.900 -0.212 0.000 1.146 441 Y CA 2.227 60.099 58.100 -0.381 0.000 1.164 441 Y CB -0.162 38.163 38.460 -0.225 0.000 0.982 441 Y HN 0.392 nan 8.280 nan 0.000 0.515 442 E N -0.342 119.813 120.200 -0.075 0.000 2.072 442 E HA -0.240 4.107 4.350 -0.006 0.000 0.191 442 E C 2.026 178.554 176.600 -0.119 0.000 0.985 442 E CA 1.437 57.777 56.400 -0.101 0.000 0.801 442 E CB -0.904 28.778 29.700 -0.029 0.000 0.750 442 E HN 0.443 nan 8.360 nan 0.000 0.452 443 F N 0.411 120.248 119.950 -0.189 0.000 2.161 443 F HA -0.135 4.388 4.527 -0.007 0.000 0.300 443 F C 1.776 177.517 175.800 -0.097 0.000 1.089 443 F CA 1.416 59.341 58.000 -0.125 0.000 1.282 443 F CB -0.101 38.842 39.000 -0.094 0.000 1.010 443 F HN 0.078 nan 8.300 nan 0.000 0.485 444 M N 0.209 119.591 119.600 -0.364 0.000 2.558 444 M HA -0.059 4.417 4.480 -0.006 0.000 0.255 444 M C 2.065 178.119 176.300 -0.411 0.000 1.113 444 M CA 0.769 55.863 55.300 -0.342 0.000 1.097 444 M CB -1.042 31.450 32.600 -0.181 0.000 1.426 444 M HN 0.225 nan 8.290 nan 0.000 0.488 445 K N 1.203 121.315 120.400 -0.480 0.000 2.052 445 K HA -0.195 4.121 4.320 -0.006 0.000 0.215 445 K C -0.971 175.352 176.600 -0.462 0.000 1.053 445 K CA 1.853 57.874 56.287 -0.442 0.000 0.934 445 K CB -0.824 31.460 32.500 -0.361 0.000 0.717 445 K HN 0.155 nan 8.250 nan 0.000 0.450 446 P HA -0.091 nan 4.420 nan 0.000 0.223 446 P C 0.470 177.370 177.300 -0.666 0.000 1.151 446 P CA 1.096 63.760 63.100 -0.726 0.000 0.787 446 P CB 0.059 31.157 31.700 -1.004 0.000 0.788 447 F N -1.409 118.384 119.950 -0.261 0.000 2.714 447 F HA 0.072 4.595 4.527 -0.006 0.000 0.294 447 F C 1.568 177.256 175.800 -0.187 0.000 1.120 447 F CA -0.167 57.700 58.000 -0.223 0.000 1.398 447 F CB -0.976 37.858 39.000 -0.277 0.000 1.120 447 F HN -0.222 nan 8.300 nan 0.000 0.589 448 V N -2.133 117.738 119.914 -0.071 0.000 3.438 448 V HA 0.595 4.711 4.120 -0.006 0.000 0.298 448 V C 0.598 176.628 176.094 -0.108 0.000 1.148 448 V CA -1.180 61.070 62.300 -0.083 0.000 0.994 448 V CB 0.653 32.422 31.823 -0.091 0.000 1.236 448 V HN 0.110 nan 8.190 nan 0.000 0.455 449 S N 0.503 116.136 115.700 -0.111 0.000 2.558 449 S HA 0.310 4.776 4.470 -0.006 0.000 0.287 449 S C -0.346 174.192 174.600 -0.102 0.000 1.321 449 S CA -0.207 57.929 58.200 -0.105 0.000 1.048 449 S CB -0.376 62.750 63.200 -0.123 0.000 0.844 449 S HN 0.836 nan 8.310 nan 0.000 0.512 450 K N 1.041 121.390 120.400 -0.086 0.000 2.482 450 K HA 0.445 4.761 4.320 -0.006 0.000 0.257 450 K C -0.823 175.740 176.600 -0.062 0.000 0.969 450 K CA -1.175 55.062 56.287 -0.084 0.000 0.842 450 K CB 1.010 33.453 32.500 -0.095 0.000 1.359 450 K HN 0.610 nan 8.250 nan 0.000 0.441 451 N N 1.017 119.682 118.700 -0.059 0.000 2.696 451 N HA -0.108 4.629 4.740 -0.006 0.000 0.256 451 N C -2.569 172.918 175.510 -0.038 0.000 1.031 451 N CA 0.485 53.507 53.050 -0.047 0.000 0.730 451 N CB -1.425 37.035 38.487 -0.043 0.000 0.894 451 N HN 0.503 nan 8.380 nan 0.000 0.544 452 P HA 0.322 nan 4.420 nan 0.000 0.285 452 P C 0.035 177.306 177.300 -0.048 0.000 1.280 452 P CA -0.736 62.335 63.100 -0.048 0.000 0.862 452 P CB 1.107 32.772 31.700 -0.058 0.000 1.153 453 R N 1.191 121.664 120.500 -0.045 0.000 2.404 453 R HA 0.216 4.553 4.340 -0.006 0.000 0.315 453 R C -0.054 176.234 176.300 -0.019 0.000 1.032 453 R CA -0.181 55.895 56.100 -0.041 0.000 0.992 453 R CB -0.611 29.674 30.300 -0.025 0.000 0.959 453 R HN 0.414 nan 8.270 nan 0.000 0.428 454 L N 3.299 124.489 121.223 -0.055 0.000 2.464 454 L HA 0.434 4.770 4.340 -0.006 0.000 0.264 454 L C 1.067 177.928 176.870 -0.015 0.000 1.199 454 L CA -0.090 54.702 54.840 -0.080 0.000 0.818 454 L CB 1.053 42.941 42.059 -0.284 0.000 1.102 454 L HN 0.817 nan 8.230 nan 0.000 0.473 455 G N -0.227 108.623 108.800 0.084 0.000 2.866 455 G HA2 0.510 4.466 3.960 -0.006 0.000 0.289 455 G HA3 0.510 4.466 3.960 -0.006 0.000 0.289 455 G C -2.386 172.778 174.900 0.439 0.000 1.396 455 G CA -0.227 45.043 45.100 0.284 0.000 0.848 455 G HN 0.335 nan 8.290 nan 0.000 0.515 456 Y N 0.261 120.725 120.300 0.275 0.000 2.354 456 Y HA 0.483 5.028 4.550 -0.007 0.000 0.330 456 Y C 0.582 176.421 175.900 -0.103 0.000 1.011 456 Y CA -1.274 56.926 58.100 0.166 0.000 1.099 456 Y CB 1.805 40.349 38.460 0.140 0.000 1.179 456 Y HN 0.464 nan 8.280 nan 0.000 0.442 457 V N 5.141 124.840 119.914 -0.359 0.000 2.594 457 V HA -0.188 3.928 4.120 -0.006 0.000 0.253 457 V C 1.365 177.121 176.094 -0.564 0.000 1.069 457 V CA 2.313 64.139 62.300 -0.790 0.000 1.082 457 V CB -0.267 31.319 31.823 -0.395 0.000 0.680 457 V HN 0.833 nan 8.190 nan 0.000 0.469 458 N N -0.410 117.803 118.700 -0.810 0.000 2.520 458 N HA -0.052 4.684 4.740 -0.006 0.000 0.185 458 N C 0.871 176.095 175.510 -0.478 0.000 1.068 458 N CA 0.874 53.529 53.050 -0.658 0.000 0.911 458 N CB -0.297 37.745 38.487 -0.742 0.000 0.961 458 N HN 0.666 nan 8.380 nan 0.000 0.446 459 H N -0.246 118.524 119.070 -0.499 0.000 2.476 459 H HA 0.150 4.702 4.556 -0.007 0.000 0.256 459 H C -0.092 175.274 175.328 0.064 0.000 1.321 459 H CA -0.800 55.252 56.048 0.007 0.000 1.056 459 H CB 0.220 30.134 29.762 0.253 0.000 1.643 459 H HN 0.049 nan 8.280 nan 0.000 0.541 460 I N 2.394 122.954 120.570 -0.017 0.000 2.906 460 I HA -0.180 3.986 4.170 -0.006 0.000 0.302 460 I C 0.242 176.448 176.117 0.148 0.000 1.220 460 I CA 0.856 62.152 61.300 -0.006 0.000 1.441 460 I CB 0.247 38.185 38.000 -0.103 0.000 1.336 460 I HN 0.332 nan 8.210 nan 0.000 0.565 461 D N 6.865 127.384 120.400 0.198 0.000 2.473 461 D HA 0.210 4.846 4.640 -0.006 0.000 0.253 461 D C 0.419 176.758 176.300 0.064 0.000 1.233 461 D CA -0.348 53.737 54.000 0.141 0.000 0.908 461 D CB 0.921 41.812 40.800 0.152 0.000 1.170 461 D HN 0.510 nan 8.370 nan 0.000 0.558 462 L N 2.255 123.483 121.223 0.008 0.000 2.551 462 L HA -0.000 4.336 4.340 -0.006 0.000 0.228 462 L C 1.094 177.940 176.870 -0.041 0.000 1.153 462 L CA 0.300 55.103 54.840 -0.063 0.000 0.851 462 L CB 0.069 42.093 42.059 -0.059 0.000 0.959 462 L HN 0.311 nan 8.230 nan 0.000 0.451 463 D N 0.257 120.654 120.400 -0.005 0.000 2.263 463 D HA -0.134 4.502 4.640 -0.006 0.000 0.208 463 D C 1.900 178.220 176.300 0.033 0.000 0.971 463 D CA 1.049 55.051 54.000 0.003 0.000 0.867 463 D CB 0.062 40.848 40.800 -0.023 0.000 0.929 463 D HN 0.205 nan 8.370 nan 0.000 0.492 464 L N -0.654 120.600 121.223 0.052 0.000 2.552 464 L HA 0.247 4.584 4.340 -0.006 0.000 0.227 464 L C 1.468 178.479 176.870 0.235 0.000 1.146 464 L CA 0.477 55.409 54.840 0.152 0.000 0.858 464 L CB -0.839 41.349 42.059 0.215 0.000 0.969 464 L HN 0.077 nan 8.230 nan 0.000 0.451 465 G N -1.850 106.969 108.800 0.032 0.000 2.373 465 G HA2 0.381 4.337 3.960 -0.006 0.000 0.634 465 G HA3 0.381 4.337 3.960 -0.006 0.000 0.634 465 G C -0.406 174.204 174.900 -0.485 0.000 1.267 465 G CA -0.554 44.550 45.100 0.006 0.000 1.008 465 G HN 0.528 nan 8.290 nan 0.000 0.497 466 G N -1.284 107.298 108.800 -0.363 0.000 2.596 466 G HA2 0.607 4.563 3.960 -0.006 0.000 0.296 466 G HA3 0.607 4.563 3.960 -0.006 0.000 0.296 466 G C -1.019 173.789 174.900 -0.154 0.000 1.513 466 G CA -0.563 44.256 45.100 -0.468 0.000 0.851 466 G HN 0.963 nan 8.290 nan 0.000 0.548 467 I N 1.867 122.324 120.570 -0.190 0.000 2.371 467 I HA 0.218 4.384 4.170 -0.006 0.000 0.290 467 I C -0.348 175.491 176.117 -0.462 0.000 1.028 467 I CA -0.500 60.564 61.300 -0.394 0.000 1.345 467 I CB 1.509 38.961 38.000 -0.914 0.000 1.407 467 I HN 0.469 nan 8.210 nan 0.000 0.501 468 D N 6.039 126.247 120.400 -0.321 0.000 2.411 468 D HA 0.073 4.709 4.640 -0.006 0.000 0.225 468 D C 0.629 176.813 176.300 -0.193 0.000 1.156 468 D CA -0.283 53.607 54.000 -0.183 0.000 0.874 468 D CB 0.370 41.122 40.800 -0.079 0.000 1.034 468 D HN 0.365 nan 8.370 nan 0.000 0.502 469 W N 2.194 123.506 121.300 0.020 0.000 2.721 469 W HA 0.120 4.776 4.660 -0.006 0.000 0.245 469 W C 2.164 178.689 176.519 0.010 0.000 1.276 469 W CA 0.099 57.453 57.345 0.015 0.000 1.342 469 W CB 0.459 29.921 29.460 0.004 0.000 1.135 469 W HN 0.575 nan 8.180 nan 0.000 0.654 470 G N -0.530 108.366 108.800 0.161 0.000 3.042 470 G HA2 -0.092 3.864 3.960 -0.006 0.000 0.212 470 G HA3 -0.092 3.864 3.960 -0.006 0.000 0.212 470 G C 0.230 175.164 174.900 0.057 0.000 1.166 470 G CA -0.271 44.890 45.100 0.101 0.000 0.767 470 G HN -0.042 nan 8.290 nan 0.000 0.546 471 N N 0.603 119.323 118.700 0.034 0.000 2.457 471 N HA 0.212 4.948 4.740 -0.006 0.000 0.250 471 N C 0.870 176.388 175.510 0.014 0.000 0.982 471 N CA -0.362 52.693 53.050 0.008 0.000 0.941 471 N CB 1.449 39.922 38.487 -0.023 0.000 1.120 471 N HN -0.178 nan 8.380 nan 0.000 0.505 472 K N 0.994 121.407 120.400 0.022 0.000 2.057 472 K HA -0.085 4.231 4.320 -0.006 0.000 0.207 472 K C 1.732 178.343 176.600 0.018 0.000 1.049 472 K CA 1.374 57.678 56.287 0.028 0.000 0.931 472 K CB -0.645 31.869 32.500 0.024 0.000 0.714 472 K HN 0.489 nan 8.250 nan 0.000 0.440 473 T N -0.057 114.500 114.554 0.006 0.000 2.904 473 T HA -0.045 4.301 4.350 -0.006 0.000 0.267 473 T C 1.770 176.465 174.700 -0.009 0.000 1.059 473 T CA 0.808 62.909 62.100 0.001 0.000 1.137 473 T CB -0.159 68.708 68.868 -0.002 0.000 0.879 473 T HN -0.051 nan 8.240 nan 0.000 0.467 474 V N 1.025 120.923 119.914 -0.025 0.000 2.307 474 V HA -0.091 4.025 4.120 -0.006 0.000 0.245 474 V C 2.717 178.772 176.094 -0.065 0.000 1.045 474 V CA 1.473 63.740 62.300 -0.055 0.000 1.024 474 V CB -0.540 31.229 31.823 -0.091 0.000 0.651 474 V HN 0.348 nan 8.190 nan 0.000 0.449 475 V N 0.684 120.573 119.914 -0.041 0.000 2.332 475 V HA -0.270 3.847 4.120 -0.006 0.000 0.248 475 V C 2.357 178.486 176.094 0.059 0.000 1.055 475 V CA 2.126 64.441 62.300 0.025 0.000 1.038 475 V CB -0.908 30.995 31.823 0.133 0.000 0.651 475 V HN 0.568 nan 8.190 nan 0.000 0.450 476 N N 0.625 119.349 118.700 0.040 0.000 2.149 476 N HA -0.156 4.580 4.740 -0.006 0.000 0.188 476 N C 1.484 177.012 175.510 0.030 0.000 1.019 476 N CA 1.473 54.546 53.050 0.038 0.000 0.857 476 N CB -0.451 38.051 38.487 0.025 0.000 0.997 476 N HN 0.458 nan 8.380 nan 0.000 0.426 477 N N 0.110 118.816 118.700 0.010 0.000 2.321 477 N HA 0.256 4.993 4.740 -0.006 0.000 0.242 477 N C 0.799 176.304 175.510 -0.008 0.000 1.141 477 N CA -0.077 52.974 53.050 0.000 0.000 0.864 477 N CB 0.113 38.592 38.487 -0.014 0.000 1.100 477 N HN 0.085 nan 8.380 nan 0.000 0.510 478 A N 0.303 123.129 122.820 0.011 0.000 1.908 478 A HA -0.130 4.187 4.320 -0.006 0.000 0.218 478 A C 2.055 179.661 177.584 0.037 0.000 1.181 478 A CA 1.048 53.086 52.037 0.001 0.000 0.627 478 A CB -0.517 18.531 19.000 0.079 0.000 0.818 478 A HN 0.422 nan 8.150 nan 0.000 0.445 479 I N -0.731 119.880 120.570 0.068 0.000 2.142 479 I HA -0.279 3.887 4.170 -0.006 0.000 0.240 479 I C 2.631 178.768 176.117 0.034 0.000 1.078 479 I CA 1.926 63.282 61.300 0.093 0.000 1.343 479 I CB -0.435 37.618 38.000 0.090 0.000 1.046 479 I HN 0.589 nan 8.210 nan 0.000 0.405 480 E N 1.688 121.880 120.200 -0.013 0.000 2.058 480 E HA -0.241 4.105 4.350 -0.006 0.000 0.194 480 E C 2.330 178.834 176.600 -0.161 0.000 0.997 480 E CA 1.553 57.914 56.400 -0.065 0.000 0.801 480 E CB -0.102 29.569 29.700 -0.049 0.000 0.746 480 E HN 0.449 nan 8.360 nan 0.000 0.450 481 I N 1.326 121.799 120.570 -0.161 0.000 2.208 481 I HA -0.270 3.896 4.170 -0.006 0.000 0.245 481 I C 2.679 178.426 176.117 -0.616 0.000 1.097 481 I CA 1.510 62.661 61.300 -0.249 0.000 1.363 481 I CB -0.339 37.589 38.000 -0.120 0.000 1.051 481 I HN 0.228 nan 8.210 nan 0.000 0.413 482 S N 0.453 115.831 115.700 -0.537 0.000 2.515 482 S HA -0.139 4.327 4.470 -0.006 0.000 0.231 482 S C 2.036 175.987 174.600 -1.083 0.000 0.987 482 S CA 0.416 58.051 58.200 -0.941 0.000 0.936 482 S CB -0.438 62.740 63.200 -0.035 0.000 0.766 482 S HN 0.377 nan 8.310 nan 0.000 0.528 483 R N 1.106 121.216 120.500 -0.649 0.000 2.189 483 R HA -0.035 4.301 4.340 -0.006 0.000 0.223 483 R C 2.462 178.376 176.300 -0.644 0.000 1.092 483 R CA 1.122 56.860 56.100 -0.604 0.000 0.989 483 R CB -0.537 29.590 30.300 -0.288 0.000 0.876 483 R HN 0.543 nan 8.270 nan 0.000 0.457 484 S N 0.206 115.485 115.700 -0.703 0.000 2.353 484 S HA -0.183 4.283 4.470 -0.006 0.000 0.222 484 S C 1.588 175.972 174.600 -0.360 0.000 1.035 484 S CA 1.722 59.648 58.200 -0.456 0.000 1.025 484 S CB -0.267 62.727 63.200 -0.342 0.000 0.902 484 S HN 0.643 nan 8.310 nan 0.000 0.440 485 W N 0.742 121.882 121.300 -0.267 0.000 2.576 485 W HA 0.478 5.135 4.660 -0.006 0.000 0.275 485 W C 2.289 178.414 176.519 -0.656 0.000 1.241 485 W CA 0.249 57.292 57.345 -0.502 0.000 1.328 485 W CB -1.185 28.056 29.460 -0.365 0.000 1.092 485 W HN 0.222 nan 8.180 nan 0.000 0.586 486 G N 1.413 109.867 108.800 -0.578 0.000 2.446 486 G HA2 -0.287 3.670 3.960 -0.006 0.000 0.217 486 G HA3 -0.287 3.670 3.960 -0.006 0.000 0.217 486 G C 1.425 176.057 174.900 -0.446 0.000 1.168 486 G CA 1.360 46.152 45.100 -0.512 0.000 0.771 486 G HN 0.431 nan 8.290 nan 0.000 0.551 487 E N 0.106 119.986 120.200 -0.533 0.000 2.208 487 E HA -0.048 4.298 4.350 -0.006 0.000 0.193 487 E C 2.629 179.151 176.600 -0.129 0.000 0.988 487 E CA 0.687 56.949 56.400 -0.230 0.000 0.828 487 E CB -0.041 29.541 29.700 -0.197 0.000 0.763 487 E HN 0.413 nan 8.360 nan 0.000 0.478 488 S N -0.127 115.436 115.700 -0.228 0.000 2.368 488 S HA -0.157 4.309 4.470 -0.006 0.000 0.225 488 S C 1.693 176.271 174.600 -0.037 0.000 1.030 488 S CA 1.073 59.175 58.200 -0.162 0.000 0.999 488 S CB -0.086 62.948 63.200 -0.276 0.000 0.844 488 S HN 0.272 nan 8.310 nan 0.000 0.459 489 Y N -0.423 119.793 120.300 -0.140 0.000 2.365 489 Y HA 0.292 4.839 4.550 -0.006 0.000 0.293 489 Y C 1.363 176.893 175.900 -0.617 0.000 1.119 489 Y CA 0.107 57.935 58.100 -0.452 0.000 1.203 489 Y CB -0.368 37.479 38.460 -1.022 0.000 1.026 489 Y HN 0.333 nan 8.280 nan 0.000 0.549 490 F N -2.670 117.409 119.950 0.215 0.000 2.817 490 F HA 0.319 4.842 4.527 -0.007 0.000 0.333 490 F C 1.021 176.864 175.800 0.071 0.000 1.085 490 F CA -0.871 57.212 58.000 0.139 0.000 1.170 490 F CB -0.215 38.984 39.000 0.331 0.000 1.066 490 F HN -0.207 nan 8.300 nan 0.000 0.564 491 L N -0.126 121.195 121.223 0.164 0.000 6.032 491 L HA -0.477 3.859 4.340 -0.006 0.000 0.053 491 L C 2.032 179.013 176.870 0.186 0.000 2.286 491 L CA 1.621 56.531 54.840 0.116 0.000 1.682 491 L CB -1.381 40.712 42.059 0.056 0.000 2.737 491 L HN 0.279 nan 8.230 nan 0.000 0.986 492 S N -0.724 115.069 115.700 0.154 0.000 2.607 492 S HA 0.000 4.467 4.470 -0.006 0.000 0.224 492 S C 1.102 175.834 174.600 0.220 0.000 0.969 492 S CA 0.964 59.262 58.200 0.163 0.000 0.927 492 S CB -0.328 62.936 63.200 0.107 0.000 0.772 492 S HN 0.559 nan 8.310 nan 0.000 0.533 493 N N 0.685 119.566 118.700 0.300 0.000 2.515 493 N HA 0.031 4.767 4.740 -0.006 0.000 0.185 493 N C 0.912 176.674 175.510 0.419 0.000 1.109 493 N CA 0.444 53.739 53.050 0.409 0.000 0.903 493 N CB -0.571 38.215 38.487 0.498 0.000 0.969 493 N HN 0.516 nan 8.380 nan 0.000 0.450 494 Y N 1.968 122.416 120.300 0.248 0.000 2.128 494 Y HA -0.205 4.341 4.550 -0.007 0.000 0.284 494 Y C 2.015 178.014 175.900 0.166 0.000 1.154 494 Y CA 1.568 59.796 58.100 0.214 0.000 1.149 494 Y CB -0.107 38.474 38.460 0.202 0.000 0.976 494 Y HN -0.017 nan 8.280 nan 0.000 0.505 495 E N -0.203 120.100 120.200 0.170 0.000 2.058 495 E HA -0.228 4.118 4.350 -0.006 0.000 0.194 495 E C 2.405 179.014 176.600 0.015 0.000 0.997 495 E CA 1.621 58.054 56.400 0.055 0.000 0.801 495 E CB -0.328 29.413 29.700 0.069 0.000 0.746 495 E HN 0.339 nan 8.360 nan 0.000 0.450 496 R N 0.080 120.603 120.500 0.038 0.000 2.096 496 R HA -0.079 4.258 4.340 -0.006 0.000 0.235 496 R C 2.209 178.594 176.300 0.142 0.000 1.127 496 R CA 0.926 57.015 56.100 -0.019 0.000 0.968 496 R CB -0.235 29.882 30.300 -0.305 0.000 0.861 496 R HN 0.190 nan 8.270 nan 0.000 0.440 497 L N 0.337 121.709 121.223 0.248 0.000 2.046 497 L HA -0.199 4.137 4.340 -0.006 0.000 0.208 497 L C 2.359 179.326 176.870 0.162 0.000 1.077 497 L CA 1.259 56.250 54.840 0.251 0.000 0.747 497 L CB -0.321 41.787 42.059 0.082 0.000 0.896 497 L HN 0.254 nan 8.230 nan 0.000 0.432 498 I N -0.626 119.913 120.570 -0.052 0.000 2.286 498 I HA -0.285 3.881 4.170 -0.006 0.000 0.248 498 I C 2.728 178.867 176.117 0.037 0.000 1.115 498 I CA 1.232 62.493 61.300 -0.065 0.000 1.392 498 I CB -0.287 37.624 38.000 -0.149 0.000 1.065 498 I HN 0.220 nan 8.210 nan 0.000 0.418 499 R N 0.660 121.185 120.500 0.043 0.000 2.075 499 R HA -0.085 4.251 4.340 -0.006 0.000 0.232 499 R C 2.465 178.821 176.300 0.093 0.000 1.126 499 R CA 1.383 57.512 56.100 0.047 0.000 0.963 499 R CB -0.434 29.874 30.300 0.012 0.000 0.858 499 R HN 0.341 nan 8.270 nan 0.000 0.435 500 A N 1.679 124.587 122.820 0.146 0.000 1.902 500 A HA -0.224 4.092 4.320 -0.006 0.000 0.217 500 A C 2.084 179.858 177.584 0.318 0.000 1.181 500 A CA 1.664 53.815 52.037 0.191 0.000 0.623 500 A CB -0.290 18.796 19.000 0.144 0.000 0.818 500 A HN 0.122 nan 8.150 nan 0.000 0.443 501 K N -0.228 120.423 120.400 0.419 0.000 2.026 501 K HA -0.100 4.216 4.320 -0.006 0.000 0.208 501 K C 1.865 178.549 176.600 0.139 0.000 1.048 501 K CA 2.385 58.846 56.287 0.291 0.000 0.929 501 K CB -0.926 31.610 32.500 0.060 0.000 0.713 501 K HN 0.368 nan 8.250 nan 0.000 0.439 502 T N 1.406 116.020 114.554 0.099 0.000 2.788 502 T HA -0.115 4.231 4.350 -0.006 0.000 0.268 502 T C 1.539 176.281 174.700 0.070 0.000 1.044 502 T CA 1.273 63.410 62.100 0.061 0.000 1.139 502 T CB -0.265 68.630 68.868 0.045 0.000 0.867 502 T HN 0.188 nan 8.240 nan 0.000 0.454 503 L N 0.618 121.895 121.223 0.090 0.000 2.027 503 L HA 0.172 4.509 4.340 -0.006 0.000 0.206 503 L C 2.008 178.935 176.870 0.094 0.000 1.074 503 L CA 1.580 56.468 54.840 0.081 0.000 0.745 503 L CB -0.603 41.503 42.059 0.077 0.000 0.898 503 L HN 0.161 nan 8.230 nan 0.000 0.433 504 I N -1.123 119.529 120.570 0.136 0.000 3.035 504 I HA 0.067 4.233 4.170 -0.006 0.000 0.271 504 I C 0.165 176.367 176.117 0.141 0.000 1.190 504 I CA 0.601 61.987 61.300 0.144 0.000 1.472 504 I CB 0.030 38.147 38.000 0.195 0.000 1.116 504 I HN 0.376 nan 8.210 nan 0.000 0.443 505 D N -0.174 120.302 120.400 0.127 0.000 2.849 505 D HA 0.221 4.858 4.640 -0.006 0.000 0.314 505 D C -1.894 174.428 176.300 0.037 0.000 1.210 505 D CA -1.461 52.602 54.000 0.106 0.000 0.756 505 D CB 0.637 41.520 40.800 0.138 0.000 1.222 505 D HN 0.062 nan 8.370 nan 0.000 0.521 506 P HA -0.091 nan 4.420 nan 0.000 0.219 506 P C 0.660 177.950 177.300 -0.017 0.000 1.146 506 P CA 0.742 63.849 63.100 0.012 0.000 0.808 506 P CB 0.440 32.154 31.700 0.022 0.000 0.779 507 N N -0.677 118.009 118.700 -0.023 0.000 2.336 507 N HA -0.024 4.712 4.740 -0.006 0.000 0.189 507 N C 0.324 175.768 175.510 -0.110 0.000 1.113 507 N CA 0.099 53.118 53.050 -0.050 0.000 0.858 507 N CB -0.967 37.498 38.487 -0.037 0.000 0.970 507 N HN 0.002 nan 8.380 nan 0.000 0.471 508 N N 0.177 118.795 118.700 -0.137 0.000 2.740 508 N HA -0.144 4.592 4.740 -0.006 0.000 0.248 508 N C 0.632 175.975 175.510 -0.278 0.000 1.062 508 N CA 0.157 53.049 53.050 -0.263 0.000 0.704 508 N CB -1.330 36.901 38.487 -0.427 0.000 0.968 508 N HN -0.051 nan 8.380 nan 0.000 0.547 509 V N -1.065 118.720 119.914 -0.215 0.000 2.515 509 V HA -0.070 4.047 4.120 -0.006 0.000 0.250 509 V C 0.922 176.666 176.094 -0.584 0.000 1.058 509 V CA 1.533 63.600 62.300 -0.389 0.000 1.064 509 V CB -0.415 31.138 31.823 -0.451 0.000 0.675 509 V HN 0.349 nan 8.190 nan 0.000 0.461 510 F N 1.853 121.707 119.950 -0.159 0.000 2.308 510 F HA 0.488 5.012 4.527 -0.006 0.000 0.370 510 F C 0.241 175.885 175.800 -0.261 0.000 1.100 510 F CA -0.803 57.107 58.000 -0.150 0.000 1.108 510 F CB 0.331 39.264 39.000 -0.112 0.000 1.293 510 F HN 0.279 nan 8.300 nan 0.000 0.478 511 N N 0.976 119.594 118.700 -0.136 0.000 2.494 511 N HA 0.773 5.509 4.740 -0.006 0.000 0.270 511 N C -1.254 174.253 175.510 -0.006 0.000 1.285 511 N CA -0.915 51.960 53.050 -0.292 0.000 0.812 511 N CB 2.140 40.162 38.487 -0.775 0.000 1.557 511 N HN 0.524 nan 8.380 nan 0.000 0.487 512 H N -4.129 115.025 119.070 0.140 0.000 2.902 512 H HA 0.476 5.029 4.556 -0.006 0.000 0.297 512 H C -2.774 172.733 175.328 0.298 0.000 1.406 512 H CA -1.504 54.641 56.048 0.162 0.000 1.134 512 H CB 0.332 30.107 29.762 0.022 0.000 1.833 512 H HN 0.279 nan 8.280 nan 0.000 0.527 513 P HA -0.093 nan 4.420 nan 0.000 0.221 513 P C 0.201 177.473 177.300 -0.047 0.000 1.145 513 P CA 1.552 64.692 63.100 0.066 0.000 0.795 513 P CB 0.248 31.916 31.700 -0.053 0.000 0.775 514 Q N -1.209 118.644 119.800 0.087 0.000 2.115 514 Q HA 0.148 4.485 4.340 -0.006 0.000 0.249 514 Q C -0.158 175.935 176.000 0.155 0.000 0.830 514 Q CA -0.219 55.578 55.803 -0.010 0.000 1.104 514 Q CB 0.556 29.151 28.738 -0.238 0.000 1.207 514 Q HN 0.187 nan 8.270 nan 0.000 0.464 515 S N -0.194 115.325 115.700 -0.301 0.000 2.585 515 S HA 0.279 4.745 4.470 -0.006 0.000 0.273 515 S C 0.548 175.251 174.600 0.172 0.000 1.339 515 S CA -0.653 57.362 58.200 -0.307 0.000 1.028 515 S CB 0.999 63.872 63.200 -0.545 0.000 0.906 515 S HN 0.139 nan 8.310 nan 0.000 0.528 516 I N 2.854 123.453 120.570 0.050 0.000 2.668 516 I HA 0.193 4.359 4.170 -0.006 0.000 0.285 516 I C -2.160 173.990 176.117 0.055 0.000 1.168 516 I CA -2.045 59.309 61.300 0.091 0.000 1.424 516 I CB -0.664 37.272 38.000 -0.107 0.000 1.377 516 I HN 0.457 nan 8.210 nan 0.000 0.560 517 P HA 0.292 nan 4.420 nan 0.000 0.279 517 P C -2.527 174.811 177.300 0.064 0.000 1.239 517 P CA -1.358 61.891 63.100 0.248 0.000 0.789 517 P CB 0.169 32.091 31.700 0.370 0.000 0.933 518 P HA 0.294 nan 4.420 nan 0.000 0.278 518 P C -0.226 177.102 177.300 0.046 0.000 1.258 518 P CA -0.346 62.759 63.100 0.008 0.000 0.811 518 P CB 0.603 32.286 31.700 -0.028 0.000 1.063 519 M N 0.720 120.342 119.600 0.037 0.000 2.241 519 M HA 0.392 4.868 4.480 -0.006 0.000 0.335 519 M C 0.922 177.247 176.300 0.042 0.000 1.122 519 M CA -0.407 54.919 55.300 0.043 0.000 1.164 519 M CB 0.711 33.330 32.600 0.032 0.000 1.459 519 M HN 0.399 nan 8.290 nan 0.000 0.461 520 A N 0.000 122.848 122.820 0.047 0.000 2.254 520 A HA 0.000 4.316 4.320 -0.006 0.000 0.244 520 A CA 0.000 52.063 52.037 0.044 0.000 0.836 520 A CB 0.000 19.027 19.000 0.046 0.000 0.831 520 A HN 0.000 nan 8.150 nan 0.000 0.486