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 1z02_1_F DATA FIRST_RESID 16 DATA SEQUENCE ISDARANNAK TQSQYQPYKD AAWGFINHWY PALFTHELEE DQVQGIQICG DATA SEQUENCE VPIVLRRVNG KVFALKDQCL HRGVRLSEKP TCFTKSTISC WYHGFTFDLE DATA SEQUENCE TGKLVTIVAN PEDKLIGTTG VTTYPVHEVN GMIFVFVRED DFPDEDVPPL DATA SEQUENCE AHDLPFRFPE RSEQFPHPLW PSSPSVLDDN AVVHGMHRTG FGNWRIACEN DATA SEQUENCE GFDNAHILVH KDNTIVHAMD WVLPLGLLPT SDDCIAVVED DDGPKGMMQW DATA SEQUENCE LFTDKWAPVL ENQELGLKVE GLKGRHYRTS VVLPGVLMVE NWPEEHVVQY DATA SEQUENCE EWYVPITDDT HEYWEILVRV CPTDEDRKKF QYRYDHMYKP LCLHGFNDSD DATA SEQUENCE LYAREAMQNF YYDGTGWDDE QLVATDISPI TWRKLASRWN RGIAKPGRGV DATA SEQUENCE AGAVKDTSLI FKQTADGKRP GYKVEQI 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 16 I HA 0.000 nan 4.170 nan 0.000 0.288 16 I C 0.000 176.132 176.117 0.024 0.000 1.063 16 I CA 0.000 61.317 61.300 0.029 0.000 1.566 16 I CB 0.000 38.020 38.000 0.034 0.000 1.214 17 S N 2.788 118.503 115.700 0.025 0.000 2.565 17 S HA 0.205 4.675 4.470 -0.000 0.000 0.276 17 S C 0.683 175.298 174.600 0.025 0.000 1.326 17 S CA -0.138 58.075 58.200 0.022 0.000 1.045 17 S CB 0.881 64.093 63.200 0.020 0.000 0.918 17 S HN 0.563 nan 8.310 nan 0.000 0.505 18 D N 3.325 123.738 120.400 0.021 0.000 2.348 18 D HA 0.117 4.757 4.640 -0.000 0.000 0.216 18 D C 1.612 177.927 176.300 0.024 0.000 0.970 18 D CA 0.879 54.892 54.000 0.022 0.000 0.889 18 D CB -0.169 40.641 40.800 0.017 0.000 0.912 18 D HN 0.567 nan 8.370 nan 0.000 0.524 19 A N 0.876 123.710 122.820 0.024 0.000 2.208 19 A HA -0.024 4.296 4.320 -0.000 0.000 0.209 19 A C 1.118 178.721 177.584 0.032 0.000 1.161 19 A CA -0.159 51.893 52.037 0.025 0.000 0.782 19 A CB -0.421 18.592 19.000 0.021 0.000 0.816 19 A HN 0.245 nan 8.150 nan 0.000 0.477 20 R N -1.210 119.313 120.500 0.039 0.000 2.694 20 R HA 0.505 4.844 4.340 -0.000 0.000 0.268 20 R C 0.895 177.230 176.300 0.059 0.000 1.061 20 R CA 0.337 56.467 56.100 0.051 0.000 1.133 20 R CB 0.529 30.864 30.300 0.059 0.000 1.020 20 R HN -0.027 nan 8.270 nan 0.000 0.475 21 A N 2.712 125.575 122.820 0.071 0.000 1.968 21 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 21 A C 0.763 178.407 177.584 0.101 0.000 1.169 21 A CA 1.177 53.262 52.037 0.080 0.000 0.638 21 A CB -0.866 18.186 19.000 0.087 0.000 0.812 21 A HN 0.959 nan 8.150 nan 0.000 0.446 22 N N 1.214 119.988 118.700 0.123 0.000 3.034 22 N HA 0.123 4.863 4.740 -0.000 0.000 0.265 22 N C -0.295 175.272 175.510 0.095 0.000 1.166 22 N CA -0.362 52.781 53.050 0.155 0.000 1.081 22 N CB -0.162 38.470 38.487 0.242 0.000 1.378 22 N HN 0.672 nan 8.380 nan 0.000 0.520 23 N N 0.411 119.145 118.700 0.058 0.000 2.379 23 N HA 0.174 4.913 4.740 -0.000 0.000 0.260 23 N C 1.059 176.566 175.510 -0.004 0.000 1.254 23 N CA -0.684 52.383 53.050 0.028 0.000 0.958 23 N CB 0.809 39.310 38.487 0.023 0.000 1.208 23 N HN 0.260 nan 8.380 nan 0.000 0.532 24 A N 0.579 123.393 122.820 -0.011 0.000 1.903 24 A HA -0.265 4.054 4.320 -0.000 0.000 0.219 24 A C 2.201 179.747 177.584 -0.062 0.000 1.191 24 A CA 1.522 53.539 52.037 -0.033 0.000 0.638 24 A CB -0.777 18.210 19.000 -0.020 0.000 0.823 24 A HN 0.779 nan 8.150 nan 0.000 0.451 25 K N -0.740 119.633 120.400 -0.045 0.000 2.026 25 K HA -0.126 4.194 4.320 -0.000 0.000 0.208 25 K C 2.092 178.640 176.600 -0.086 0.000 1.048 25 K CA 2.134 58.389 56.287 -0.052 0.000 0.929 25 K CB -0.878 31.608 32.500 -0.024 0.000 0.713 25 K HN 0.489 nan 8.250 nan 0.000 0.439 26 T N 2.032 116.544 114.554 -0.070 0.000 2.684 26 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 26 T C 1.969 176.450 174.700 -0.365 0.000 1.036 26 T CA 1.512 63.563 62.100 -0.081 0.000 1.148 26 T CB -0.138 68.754 68.868 0.040 0.000 0.863 26 T HN 0.401 nan 8.240 nan 0.000 0.436 27 Q N 1.030 120.571 119.800 -0.431 0.000 2.135 27 Q HA -0.112 4.228 4.340 -0.000 0.000 0.204 27 Q C 2.717 178.296 176.000 -0.703 0.000 0.981 27 Q CA 1.694 56.992 55.803 -0.841 0.000 0.856 27 Q CB -0.367 28.189 28.738 -0.303 0.000 0.902 27 Q HN 0.675 nan 8.270 nan 0.000 0.425 28 S N 0.392 115.887 115.700 -0.342 0.000 2.447 28 S HA -0.164 4.306 4.470 -0.000 0.000 0.233 28 S C 1.706 176.194 174.600 -0.186 0.000 1.006 28 S CA 0.816 58.893 58.200 -0.205 0.000 0.957 28 S CB -0.119 63.012 63.200 -0.116 0.000 0.773 28 S HN 0.344 nan 8.310 nan 0.000 0.507 29 Q N 0.199 119.864 119.800 -0.225 0.000 2.488 29 Q HA 0.009 4.349 4.340 -0.000 0.000 0.211 29 Q C 0.116 176.117 176.000 0.001 0.000 0.967 29 Q CA 0.788 56.536 55.803 -0.092 0.000 0.926 29 Q CB -0.112 28.606 28.738 -0.032 0.000 0.992 29 Q HN 1.077 nan 8.270 nan 0.000 0.506 30 Y N -3.290 117.012 120.300 0.003 0.000 2.696 30 Y HA 0.395 4.945 4.550 -0.000 0.000 0.255 30 Y C 1.218 177.142 175.900 0.040 0.000 1.103 30 Y CA -0.725 57.378 58.100 0.005 0.000 1.126 30 Y CB -0.410 38.021 38.460 -0.048 0.000 1.197 30 Y HN -0.173 nan 8.280 nan 0.000 0.574 31 Q N 2.439 122.288 119.800 0.082 0.000 2.084 31 Q HA -0.010 4.330 4.340 -0.000 0.000 0.202 31 Q C -0.971 175.081 176.000 0.087 0.000 0.978 31 Q CA 2.105 57.943 55.803 0.058 0.000 0.844 31 Q CB -1.028 27.711 28.738 0.002 0.000 0.898 31 Q HN 0.361 nan 8.270 nan 0.000 0.426 32 P HA -0.160 nan 4.420 nan 0.000 0.216 32 P C 0.581 178.003 177.300 0.203 0.000 1.150 32 P CA 1.156 64.344 63.100 0.147 0.000 0.837 32 P CB -0.251 31.538 31.700 0.149 0.000 0.786 33 Y N 1.011 121.365 120.300 0.089 0.000 2.242 33 Y HA -0.158 4.392 4.550 -0.000 0.000 0.291 33 Y C 1.943 177.665 175.900 -0.297 0.000 1.137 33 Y CA 1.653 59.749 58.100 -0.008 0.000 1.181 33 Y CB -0.318 38.109 38.460 -0.055 0.000 0.989 33 Y HN -0.178 nan 8.280 nan 0.000 0.527 34 K N -0.326 120.001 120.400 -0.121 0.000 2.209 34 K HA -0.150 4.170 4.320 -0.000 0.000 0.204 34 K C 0.962 177.325 176.600 -0.395 0.000 1.048 34 K CA 1.438 57.457 56.287 -0.447 0.000 0.940 34 K CB -0.081 32.324 32.500 -0.159 0.000 0.729 34 K HN 0.330 nan 8.250 nan 0.000 0.451 35 D N 0.107 120.395 120.400 -0.186 0.000 2.340 35 D HA 0.005 4.645 4.640 -0.000 0.000 0.220 35 D C 0.332 176.573 176.300 -0.100 0.000 1.039 35 D CA 0.335 54.271 54.000 -0.108 0.000 0.866 35 D CB 0.397 41.187 40.800 -0.018 0.000 0.913 35 D HN 0.101 nan 8.370 nan 0.000 0.523 36 A N 0.348 123.035 122.820 -0.221 0.000 3.181 36 A HA 0.563 4.883 4.320 -0.000 0.000 0.293 36 A C 1.725 179.230 177.584 -0.132 0.000 1.346 36 A CA 0.051 51.956 52.037 -0.219 0.000 1.018 36 A CB -0.184 18.483 19.000 -0.555 0.000 1.093 36 A HN 0.078 nan 8.150 nan 0.000 0.629 37 A N -0.456 122.323 122.820 -0.069 0.000 1.972 37 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 37 A C 1.445 179.089 177.584 0.099 0.000 1.169 37 A CA 1.142 53.157 52.037 -0.036 0.000 0.635 37 A CB -0.564 18.398 19.000 -0.063 0.000 0.810 37 A HN 0.797 nan 8.150 nan 0.000 0.446 38 W N -0.644 120.689 121.300 0.055 0.000 3.256 38 W HA 0.411 5.071 4.660 -0.000 0.000 0.269 38 W C 1.233 177.686 176.519 -0.109 0.000 1.310 38 W CA 1.156 58.511 57.345 0.017 0.000 1.673 38 W CB -0.195 29.256 29.460 -0.015 0.000 1.115 38 W HN 0.666 nan 8.180 nan 0.000 0.686 39 G N -0.336 108.483 108.800 0.032 0.000 2.612 39 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.686 39 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.686 39 G C -0.995 173.749 174.900 -0.261 0.000 1.274 39 G CA -1.378 43.468 45.100 -0.423 0.000 0.849 39 G HN -0.051 nan 8.290 nan 0.000 0.595 40 F N 0.258 120.146 119.950 -0.103 0.000 2.411 40 F HA 0.597 5.124 4.527 -0.000 0.000 0.355 40 F C 1.226 177.093 175.800 0.111 0.000 1.117 40 F CA -0.642 57.377 58.000 0.031 0.000 1.139 40 F CB 1.263 40.224 39.000 -0.066 0.000 1.120 40 F HN 0.541 nan 8.300 nan 0.000 0.493 41 I N 3.613 124.355 120.570 0.287 0.000 2.783 41 I HA 0.281 4.450 4.170 -0.000 0.000 0.312 41 I C -0.090 176.027 176.117 -0.000 0.000 0.988 41 I CA -0.396 60.969 61.300 0.109 0.000 1.182 41 I CB 0.972 38.980 38.000 0.014 0.000 1.368 41 I HN 0.817 nan 8.210 nan 0.000 0.511 42 N N 2.308 120.771 118.700 -0.394 0.000 2.862 42 N HA -0.177 4.563 4.740 -0.000 0.000 0.246 42 N C -1.347 173.571 175.510 -0.987 0.000 1.101 42 N CA 0.220 52.698 53.050 -0.954 0.000 0.679 42 N CB -1.293 36.749 38.487 -0.740 0.000 0.986 42 N HN 0.572 nan 8.380 nan 0.000 0.557 43 H N -1.771 116.794 119.070 -0.842 0.000 2.980 43 H HA 0.462 5.018 4.556 -0.000 0.000 0.367 43 H C -0.987 174.065 175.328 -0.459 0.000 1.206 43 H CA -0.440 55.354 56.048 -0.424 0.000 1.126 43 H CB 0.759 30.359 29.762 -0.271 0.000 1.838 43 H HN 0.149 nan 8.280 nan 0.000 0.552 44 W N 1.820 123.125 121.300 0.007 0.000 2.316 44 W HA 0.414 5.074 4.660 -0.000 0.000 0.311 44 W C -0.856 175.523 176.519 -0.234 0.000 1.217 44 W CA 0.013 57.381 57.345 0.038 0.000 1.199 44 W CB 0.474 29.963 29.460 0.048 0.000 1.202 44 W HN 0.383 nan 8.180 nan 0.000 0.528 45 Y N 3.071 123.513 120.300 0.236 0.000 2.553 45 Y HA 0.393 4.943 4.550 -0.000 0.000 0.347 45 Y C -1.972 173.768 175.900 -0.266 0.000 1.019 45 Y CA -2.983 55.089 58.100 -0.047 0.000 1.032 45 Y CB 1.913 40.285 38.460 -0.147 0.000 1.284 45 Y HN 0.136 nan 8.280 nan 0.000 0.466 46 P HA 0.199 nan 4.420 nan 0.000 0.281 46 P C -0.531 176.207 177.300 -0.936 0.000 1.252 46 P CA 0.211 62.384 63.100 -1.546 0.000 0.778 46 P CB 1.939 31.825 31.700 -3.023 0.000 0.895 47 A N 4.710 127.205 122.820 -0.540 0.000 1.944 47 A HA 0.359 4.679 4.320 -0.000 0.000 0.207 47 A C 0.712 178.338 177.584 0.071 0.000 1.265 47 A CA 0.858 52.832 52.037 -0.105 0.000 0.712 47 A CB -0.028 18.934 19.000 -0.064 0.000 0.915 47 A HN 0.532 nan 8.150 nan 0.000 0.470 48 L N -2.009 119.196 121.223 -0.031 0.000 2.622 48 L HA 0.438 4.778 4.340 -0.000 0.000 0.258 48 L C -1.332 175.500 176.870 -0.063 0.000 0.996 48 L CA -0.842 54.015 54.840 0.029 0.000 0.858 48 L CB 1.924 43.998 42.059 0.025 0.000 1.449 48 L HN 0.282 nan 8.230 nan 0.000 0.411 49 F N -0.086 119.866 119.950 0.004 0.000 2.410 49 F HA 0.118 4.645 4.527 -0.000 0.000 0.334 49 F C 1.747 177.399 175.800 -0.246 0.000 1.134 49 F CA 0.084 57.973 58.000 -0.186 0.000 1.227 49 F CB 1.258 39.939 39.000 -0.532 0.000 1.194 49 F HN 0.544 nan 8.300 nan 0.000 0.571 50 T N -0.033 114.557 114.554 0.061 0.000 2.737 50 T HA -0.278 4.072 4.350 -0.000 0.000 0.269 50 T C 1.699 176.431 174.700 0.053 0.000 1.040 50 T CA 2.167 64.295 62.100 0.047 0.000 1.142 50 T CB -0.624 68.292 68.868 0.080 0.000 0.861 50 T HN 0.695 nan 8.240 nan 0.000 0.456 51 H N 0.963 120.115 119.070 0.136 0.000 2.545 51 H HA 0.140 4.696 4.556 -0.000 0.000 0.282 51 H C 1.628 177.013 175.328 0.096 0.000 1.020 51 H CA 1.030 57.131 56.048 0.088 0.000 1.243 51 H CB -0.481 29.305 29.762 0.041 0.000 1.377 51 H HN 0.411 nan 8.280 nan 0.000 0.581 52 E N -0.205 120.005 120.200 0.016 0.000 2.489 52 E HA 0.133 4.483 4.350 -0.000 0.000 0.193 52 E C -0.468 176.178 176.600 0.077 0.000 1.057 52 E CA 0.005 56.464 56.400 0.098 0.000 0.866 52 E CB 0.450 30.193 29.700 0.073 0.000 0.916 52 E HN 0.280 nan 8.360 nan 0.000 0.500 53 L N 1.561 122.825 121.223 0.067 0.000 2.529 53 L HA 0.224 4.564 4.340 -0.000 0.000 0.258 53 L C -0.725 176.185 176.870 0.067 0.000 1.032 53 L CA -0.166 54.711 54.840 0.061 0.000 0.899 53 L CB 1.161 43.250 42.059 0.050 0.000 1.174 53 L HN -0.176 nan 8.230 nan 0.000 0.458 54 E N 0.931 121.171 120.200 0.067 0.000 2.359 54 E HA 0.236 4.586 4.350 -0.000 0.000 0.255 54 E C -0.547 176.089 176.600 0.059 0.000 1.191 54 E CA -0.821 55.617 56.400 0.064 0.000 0.952 54 E CB 0.729 30.464 29.700 0.059 0.000 1.152 54 E HN 0.422 nan 8.360 nan 0.000 0.496 55 E N 1.007 121.241 120.200 0.056 0.000 2.529 55 E HA -0.139 4.211 4.350 -0.000 0.000 0.259 55 E C -0.666 175.964 176.600 0.051 0.000 0.966 55 E CA 0.591 57.025 56.400 0.057 0.000 0.937 55 E CB -0.010 29.721 29.700 0.051 0.000 0.923 55 E HN 0.441 nan 8.360 nan 0.000 0.468 56 D N 1.498 121.931 120.400 0.056 0.000 2.978 56 D HA -0.234 4.406 4.640 -0.000 0.000 0.205 56 D C -0.445 175.877 176.300 0.036 0.000 1.093 56 D CA 1.290 55.316 54.000 0.043 0.000 1.006 56 D CB -0.951 39.866 40.800 0.029 0.000 1.116 56 D HN 0.695 nan 8.370 nan 0.000 0.419 57 Q N 0.209 120.035 119.800 0.044 0.000 2.299 57 Q HA 0.458 4.798 4.340 -0.000 0.000 0.246 57 Q C -0.726 175.300 176.000 0.042 0.000 0.935 57 Q CA -0.322 55.502 55.803 0.036 0.000 0.887 57 Q CB 1.334 30.096 28.738 0.040 0.000 1.223 57 Q HN 0.019 nan 8.270 nan 0.000 0.439 58 V N 3.301 123.232 119.914 0.029 0.000 2.604 58 V HA 0.405 4.525 4.120 -0.000 0.000 0.305 58 V C -0.929 175.175 176.094 0.017 0.000 1.043 58 V CA -0.659 61.661 62.300 0.034 0.000 0.888 58 V CB 1.777 33.620 31.823 0.032 0.000 0.995 58 V HN 0.817 nan 8.190 nan 0.000 0.429 59 Q N 2.329 122.139 119.800 0.015 0.000 2.315 59 Q HA 0.716 5.056 4.340 -0.000 0.000 0.273 59 Q C -0.497 175.482 176.000 -0.036 0.000 1.053 59 Q CA -0.135 55.659 55.803 -0.015 0.000 0.817 59 Q CB 2.289 31.018 28.738 -0.016 0.000 1.326 59 Q HN 0.926 nan 8.270 nan 0.000 0.423 60 G N 3.256 112.016 108.800 -0.066 0.000 2.388 60 G HA2 0.734 4.693 3.960 -0.000 0.000 0.330 60 G HA3 0.734 4.693 3.960 -0.000 0.000 0.330 60 G C -0.630 174.146 174.900 -0.206 0.000 1.142 60 G CA -0.470 44.575 45.100 -0.091 0.000 0.908 60 G HN 0.799 nan 8.290 nan 0.000 0.473 61 I N -2.016 118.403 120.570 -0.252 0.000 3.493 61 I HA 0.796 4.966 4.170 -0.000 0.000 0.315 61 I C -1.326 174.628 176.117 -0.272 0.000 1.202 61 I CA -1.351 59.669 61.300 -0.467 0.000 0.943 61 I CB 2.453 40.073 38.000 -0.635 0.000 1.349 61 I HN 0.479 nan 8.210 nan 0.000 0.480 62 Q N 1.426 121.098 119.800 -0.213 0.000 2.281 62 Q HA 0.668 5.007 4.340 -0.000 0.000 0.263 62 Q C -2.203 173.812 176.000 0.024 0.000 0.989 62 Q CA -0.507 55.259 55.803 -0.061 0.000 0.852 62 Q CB 2.743 31.477 28.738 -0.007 0.000 1.337 62 Q HN 0.714 nan 8.270 nan 0.000 0.418 63 I N 2.510 123.029 120.570 -0.086 0.000 2.569 63 I HA 0.306 4.476 4.170 -0.000 0.000 0.290 63 I C -0.103 175.883 176.117 -0.218 0.000 1.088 63 I CA -0.867 60.321 61.300 -0.187 0.000 1.047 63 I CB 2.098 39.912 38.000 -0.310 0.000 1.237 63 I HN 0.907 nan 8.210 nan 0.000 0.421 64 C N 4.980 124.147 119.300 -0.221 0.000 4.356 64 C HA -0.159 4.300 4.460 -0.000 0.000 0.296 64 C C 1.608 176.659 174.990 0.101 0.000 1.424 64 C CA 0.718 59.676 59.018 -0.100 0.000 2.000 64 C CB -2.520 25.103 27.740 -0.195 0.000 1.262 64 C HN 1.355 nan 8.230 nan 0.000 0.789 65 G N -1.967 106.954 108.800 0.203 0.000 2.212 65 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.266 65 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.266 65 G C 0.013 174.952 174.900 0.065 0.000 0.978 65 G CA 0.323 45.596 45.100 0.288 0.000 0.632 65 G HN 1.354 nan 8.290 nan 0.000 0.537 66 V N 3.427 123.324 119.914 -0.027 0.000 2.406 66 V HA 0.460 4.580 4.120 -0.000 0.000 0.272 66 V C -1.500 174.529 176.094 -0.110 0.000 1.043 66 V CA -1.380 60.869 62.300 -0.085 0.000 0.915 66 V CB 1.525 33.247 31.823 -0.169 0.000 0.988 66 V HN 0.231 nan 8.190 nan 0.000 0.466 67 P HA 0.436 nan 4.420 nan 0.000 0.287 67 P C -0.855 176.390 177.300 -0.092 0.000 1.294 67 P CA -0.032 63.029 63.100 -0.065 0.000 0.776 67 P CB 1.048 32.735 31.700 -0.021 0.000 0.889 68 I N 3.240 123.733 120.570 -0.128 0.000 2.545 68 I HA 0.402 4.572 4.170 -0.000 0.000 0.292 68 I C -0.113 175.971 176.117 -0.056 0.000 1.040 68 I CA -1.222 60.004 61.300 -0.124 0.000 1.068 68 I CB 2.744 40.588 38.000 -0.260 0.000 1.251 68 I HN 0.070 nan 8.210 nan 0.000 0.424 69 V N 7.425 127.349 119.914 0.017 0.000 2.555 69 V HA 0.621 4.741 4.120 -0.000 0.000 0.302 69 V C -1.059 175.080 176.094 0.074 0.000 1.038 69 V CA -0.350 61.971 62.300 0.036 0.000 0.887 69 V CB 1.872 33.732 31.823 0.063 0.000 0.991 69 V HN 0.518 nan 8.190 nan 0.000 0.434 70 L N 6.611 127.872 121.223 0.063 0.000 2.354 70 L HA 0.765 5.105 4.340 -0.000 0.000 0.269 70 L C -0.161 176.774 176.870 0.107 0.000 1.005 70 L CA -0.377 54.522 54.840 0.099 0.000 0.819 70 L CB 1.869 43.969 42.059 0.068 0.000 1.311 70 L HN 0.706 nan 8.230 nan 0.000 0.423 71 R N 1.432 122.026 120.500 0.158 0.000 2.651 71 R HA 0.547 4.887 4.340 -0.000 0.000 0.278 71 R C -1.363 175.061 176.300 0.208 0.000 1.010 71 R CA -0.814 55.378 56.100 0.152 0.000 0.896 71 R CB 1.909 32.292 30.300 0.139 0.000 1.211 71 R HN 0.704 nan 8.270 nan 0.000 0.456 72 R N 3.626 124.219 120.500 0.156 0.000 2.295 72 R HA 0.479 4.819 4.340 -0.000 0.000 0.324 72 R C -1.547 174.854 176.300 0.168 0.000 0.968 72 R CA -0.451 55.749 56.100 0.165 0.000 0.837 72 R CB 1.500 31.863 30.300 0.104 0.000 1.133 72 R HN 0.321 nan 8.270 nan 0.000 0.450 73 V N 5.443 125.498 119.914 0.236 0.000 2.577 73 V HA 0.226 4.346 4.120 -0.000 0.000 0.303 73 V C -0.382 175.821 176.094 0.182 0.000 1.042 73 V CA -1.007 61.401 62.300 0.180 0.000 0.872 73 V CB 1.734 33.645 31.823 0.147 0.000 0.998 73 V HN 0.999 nan 8.190 nan 0.000 0.423 74 N N 3.842 122.612 118.700 0.116 0.000 2.740 74 N HA -0.220 4.520 4.740 -0.000 0.000 0.248 74 N C 1.226 176.791 175.510 0.092 0.000 1.062 74 N CA 1.562 54.670 53.050 0.096 0.000 0.704 74 N CB -1.058 37.489 38.487 0.101 0.000 0.968 74 N HN 1.598 nan 8.380 nan 0.000 0.547 75 G N -0.927 107.924 108.800 0.085 0.000 2.245 75 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.264 75 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.264 75 G C 0.072 175.003 174.900 0.051 0.000 0.985 75 G CA 1.047 46.185 45.100 0.063 0.000 0.625 75 G HN 0.664 nan 8.290 nan 0.000 0.536 76 K N 0.615 121.059 120.400 0.074 0.000 2.156 76 K HA 0.604 4.924 4.320 -0.000 0.000 0.271 76 K C 0.056 176.631 176.600 -0.041 0.000 0.995 76 K CA -0.670 55.602 56.287 -0.025 0.000 0.890 76 K CB 1.440 33.901 32.500 -0.066 0.000 1.073 76 K HN 0.017 nan 8.250 nan 0.000 0.454 77 V N 5.384 125.202 119.914 -0.161 0.000 2.465 77 V HA 0.376 4.496 4.120 -0.000 0.000 0.279 77 V C -0.558 175.363 176.094 -0.287 0.000 1.045 77 V CA -0.442 61.811 62.300 -0.079 0.000 0.938 77 V CB 0.459 32.274 31.823 -0.013 0.000 0.986 77 V HN 0.582 nan 8.190 nan 0.000 0.467 78 F N 2.166 122.164 119.950 0.081 0.000 2.538 78 F HA 0.832 5.359 4.527 -0.000 0.000 0.325 78 F C 0.320 176.184 175.800 0.106 0.000 1.066 78 F CA -0.678 57.378 58.000 0.094 0.000 0.946 78 F CB 2.046 41.096 39.000 0.084 0.000 1.199 78 F HN 0.541 nan 8.300 nan 0.000 0.473 79 A N 2.866 125.868 122.820 0.304 0.000 2.398 79 A HA 0.875 5.195 4.320 -0.000 0.000 0.301 79 A C -1.739 176.035 177.584 0.317 0.000 1.041 79 A CA -0.459 51.739 52.037 0.269 0.000 0.711 79 A CB 1.008 20.157 19.000 0.249 0.000 1.240 79 A HN 0.597 nan 8.150 nan 0.000 0.420 80 L N 0.611 122.003 121.223 0.281 0.000 2.303 80 L HA 0.561 4.900 4.340 -0.000 0.000 0.256 80 L C 0.274 177.327 176.870 0.305 0.000 1.034 80 L CA -0.604 54.376 54.840 0.233 0.000 0.832 80 L CB 1.636 43.752 42.059 0.095 0.000 1.403 80 L HN 0.749 nan 8.230 nan 0.000 0.419 81 K N 0.770 121.336 120.400 0.276 0.000 2.379 81 K HA 0.041 4.361 4.320 -0.000 0.000 0.284 81 K C -0.485 176.143 176.600 0.047 0.000 1.044 81 K CA -0.204 56.227 56.287 0.240 0.000 0.974 81 K CB 0.426 33.030 32.500 0.172 0.000 0.962 81 K HN 0.502 nan 8.250 nan 0.000 0.474 82 D N 4.517 124.937 120.400 0.032 0.000 2.767 82 D HA -0.013 4.627 4.640 -0.000 0.000 0.231 82 D C -0.993 175.311 176.300 0.007 0.000 1.105 82 D CA 0.489 54.500 54.000 0.018 0.000 1.024 82 D CB -0.115 40.694 40.800 0.015 0.000 1.123 82 D HN 0.475 nan 8.370 nan 0.000 0.470 83 Q N 1.975 121.757 119.800 -0.031 0.000 2.334 83 Q HA 0.173 4.513 4.340 -0.000 0.000 0.249 83 Q C -1.391 174.560 176.000 -0.081 0.000 0.909 83 Q CA -0.709 55.072 55.803 -0.036 0.000 0.823 83 Q CB 0.907 29.628 28.738 -0.028 0.000 1.353 83 Q HN 0.298 nan 8.270 nan 0.000 0.433 84 C N 5.085 124.364 119.300 -0.035 0.000 2.648 84 C HA 0.160 4.620 4.460 -0.000 0.000 0.419 84 C C 1.808 176.798 174.990 0.000 0.000 1.352 84 C CA -0.289 58.741 59.018 0.020 0.000 1.816 84 C CB -0.832 26.938 27.740 0.050 0.000 2.598 84 C HN 0.911 nan 8.230 nan 0.000 0.598 85 L N 4.124 125.403 121.223 0.094 0.000 2.465 85 L HA 0.075 4.415 4.340 -0.000 0.000 0.224 85 L C 2.227 179.102 176.870 0.009 0.000 1.145 85 L CA 1.512 56.403 54.840 0.085 0.000 0.834 85 L CB -1.313 40.865 42.059 0.199 0.000 0.944 85 L HN 0.911 nan 8.230 nan 0.000 0.451 86 H N 1.602 120.437 119.070 -0.392 0.000 2.260 86 H HA 0.091 4.646 4.556 -0.000 0.000 0.304 86 H C 0.889 176.022 175.328 -0.325 0.000 1.059 86 H CA 1.380 57.023 56.048 -0.676 0.000 1.305 86 H CB 0.374 29.238 29.762 -1.496 0.000 1.388 86 H HN 0.299 nan 8.280 nan 0.000 0.496 87 R N -0.694 119.575 120.500 -0.384 0.000 2.668 87 R HA 0.156 4.495 4.340 -0.000 0.000 0.435 87 R C 0.458 176.673 176.300 -0.142 0.000 1.059 87 R CA 0.405 56.313 56.100 -0.319 0.000 1.073 87 R CB 1.421 31.465 30.300 -0.427 0.000 1.401 87 R HN 0.635 nan 8.270 nan 0.000 0.590 88 G N 1.089 109.828 108.800 -0.102 0.000 2.166 88 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.260 88 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.260 88 G C 0.390 175.267 174.900 -0.038 0.000 0.986 88 G CA 0.372 45.439 45.100 -0.056 0.000 0.683 88 G HN 0.180 nan 8.290 nan 0.000 0.527 89 V N 0.429 120.306 119.914 -0.063 0.000 2.843 89 V HA 0.222 4.342 4.120 -0.000 0.000 0.305 89 V C 1.405 177.505 176.094 0.009 0.000 1.065 89 V CA -0.047 62.209 62.300 -0.072 0.000 1.116 89 V CB 1.097 32.745 31.823 -0.290 0.000 0.968 89 V HN 0.398 nan 8.190 nan 0.000 0.487 90 R N 3.400 123.972 120.500 0.120 0.000 2.248 90 R HA 0.268 4.608 4.340 -0.000 0.000 0.328 90 R C 1.054 177.544 176.300 0.316 0.000 1.067 90 R CA -0.307 55.894 56.100 0.167 0.000 0.924 90 R CB 0.411 30.804 30.300 0.155 0.000 1.013 90 R HN 0.639 nan 8.270 nan 0.000 0.454 91 L N 1.700 123.062 121.223 0.231 0.000 2.127 91 L HA -0.242 4.098 4.340 -0.000 0.000 0.211 91 L C 2.273 179.349 176.870 0.345 0.000 1.089 91 L CA 1.619 56.651 54.840 0.320 0.000 0.757 91 L CB -0.513 41.676 42.059 0.217 0.000 0.899 91 L HN 0.650 nan 8.230 nan 0.000 0.434 92 S N -1.096 114.727 115.700 0.206 0.000 2.515 92 S HA -0.118 4.352 4.470 -0.000 0.000 0.231 92 S C 1.573 176.199 174.600 0.043 0.000 0.987 92 S CA 0.534 58.796 58.200 0.104 0.000 0.936 92 S CB -0.234 62.993 63.200 0.046 0.000 0.766 92 S HN 0.478 nan 8.310 nan 0.000 0.528 93 E N 0.967 121.223 120.200 0.094 0.000 2.268 93 E HA 0.016 4.366 4.350 -0.000 0.000 0.195 93 E C 0.618 176.943 176.600 -0.457 0.000 0.995 93 E CA 0.739 57.068 56.400 -0.118 0.000 0.836 93 E CB 0.070 29.774 29.700 0.006 0.000 0.763 93 E HN 0.539 nan 8.360 nan 0.000 0.491 94 K N 0.578 120.619 120.400 -0.598 0.000 2.984 94 K HA 0.192 4.512 4.320 -0.000 0.000 0.211 94 K C -2.938 173.527 176.600 -0.225 0.000 1.174 94 K CA -1.721 54.183 56.287 -0.639 0.000 0.978 94 K CB 1.162 32.900 32.500 -1.271 0.000 1.212 94 K HN -0.259 nan 8.250 nan 0.000 0.589 95 P HA -0.075 nan 4.420 nan 0.000 0.255 95 P C -1.147 176.134 177.300 -0.032 0.000 1.161 95 P CA 0.566 63.657 63.100 -0.016 0.000 0.768 95 P CB 0.611 32.292 31.700 -0.032 0.000 0.746 96 T N 3.912 118.468 114.554 0.003 0.000 2.965 96 T HA 0.395 4.744 4.350 -0.000 0.000 0.306 96 T C -0.893 173.689 174.700 -0.196 0.000 0.991 96 T CA -0.224 61.802 62.100 -0.122 0.000 1.001 96 T CB 0.377 69.243 68.868 -0.003 0.000 0.984 96 T HN 0.263 nan 8.240 nan 0.000 0.446 97 C N 2.986 122.088 119.300 -0.330 0.000 2.432 97 C HA 0.454 4.914 4.460 -0.000 0.000 0.334 97 C C 0.881 175.678 174.990 -0.321 0.000 1.155 97 C CA -0.839 58.044 59.018 -0.225 0.000 1.335 97 C CB -0.316 27.380 27.740 -0.073 0.000 1.964 97 C HN 1.019 nan 8.230 nan 0.000 0.444 98 F N 1.369 121.340 119.950 0.035 0.000 2.698 98 F HA 0.128 4.655 4.527 -0.000 0.000 0.295 98 F C 1.715 177.522 175.800 0.011 0.000 1.124 98 F CA 0.437 58.451 58.000 0.022 0.000 1.426 98 F CB 0.211 39.221 39.000 0.016 0.000 1.120 98 F HN 0.649 nan 8.300 nan 0.000 0.583 99 T N -4.043 110.602 114.554 0.151 0.000 2.865 99 T HA 0.314 4.664 4.350 -0.000 0.000 0.294 99 T C 0.583 175.303 174.700 0.034 0.000 1.119 99 T CA -0.937 61.213 62.100 0.083 0.000 1.007 99 T CB 2.072 70.981 68.868 0.068 0.000 1.225 99 T HN -0.303 nan 8.240 nan 0.000 0.515 100 K N 0.787 121.197 120.400 0.017 0.000 2.439 100 K HA 0.031 4.350 4.320 -0.000 0.000 0.197 100 K C 1.833 178.398 176.600 -0.058 0.000 1.041 100 K CA 1.183 57.468 56.287 -0.004 0.000 0.970 100 K CB -0.193 32.313 32.500 0.010 0.000 0.773 100 K HN 0.780 nan 8.250 nan 0.000 0.479 101 S N -0.600 115.062 115.700 -0.062 0.000 2.568 101 S HA 0.064 4.533 4.470 -0.000 0.000 0.232 101 S C 0.582 175.115 174.600 -0.111 0.000 0.975 101 S CA -0.401 57.722 58.200 -0.130 0.000 0.949 101 S CB 0.013 63.162 63.200 -0.085 0.000 0.829 101 S HN 0.217 nan 8.310 nan 0.000 0.479 102 T N -1.068 113.458 114.554 -0.047 0.000 2.812 102 T HA 0.757 5.107 4.350 -0.000 0.000 0.294 102 T C -1.076 173.657 174.700 0.054 0.000 1.159 102 T CA -0.875 61.233 62.100 0.013 0.000 1.008 102 T CB 1.595 70.492 68.868 0.050 0.000 1.289 102 T HN 0.339 nan 8.240 nan 0.000 0.514 103 I N 0.496 121.141 120.570 0.125 0.000 2.692 103 I HA 0.616 4.786 4.170 -0.000 0.000 0.293 103 I C -1.290 174.972 176.117 0.242 0.000 1.200 103 I CA -0.452 60.941 61.300 0.156 0.000 1.036 103 I CB 2.157 40.257 38.000 0.166 0.000 1.258 103 I HN 0.856 nan 8.210 nan 0.000 0.421 104 S N 5.395 121.229 115.700 0.223 0.000 2.568 104 S HA 0.395 4.865 4.470 -0.000 0.000 0.302 104 S C -0.858 173.929 174.600 0.311 0.000 1.082 104 S CA -0.518 57.848 58.200 0.275 0.000 1.009 104 S CB 1.759 65.165 63.200 0.343 0.000 1.069 104 S HN 0.738 nan 8.310 nan 0.000 0.500 105 C N 4.650 124.141 119.300 0.319 0.000 2.593 105 C HA 0.326 4.786 4.460 -0.000 0.000 0.409 105 C C 1.660 176.771 174.990 0.202 0.000 1.304 105 C CA -0.699 58.453 59.018 0.223 0.000 2.007 105 C CB -0.804 27.046 27.740 0.183 0.000 2.614 105 C HN 1.026 nan 8.230 nan 0.000 0.585 106 W N 4.576 125.984 121.300 0.179 0.000 3.077 106 W HA 0.035 4.695 4.660 -0.000 0.000 0.245 106 W C 1.219 177.843 176.519 0.176 0.000 1.316 106 W CA -0.080 57.350 57.345 0.143 0.000 1.537 106 W CB -1.320 28.181 29.460 0.068 0.000 1.131 106 W HN 0.933 nan 8.180 nan 0.000 0.695 107 Y N 1.203 121.296 120.300 -0.345 0.000 2.226 107 Y HA -0.089 4.461 4.550 -0.000 0.000 0.281 107 Y C 1.778 177.472 175.900 -0.344 0.000 1.107 107 Y CA 1.599 59.443 58.100 -0.427 0.000 1.109 107 Y CB -0.300 37.768 38.460 -0.654 0.000 1.047 107 Y HN -0.120 nan 8.280 nan 0.000 0.494 108 H N -1.128 117.981 119.070 0.065 0.000 2.705 108 H HA 0.277 4.833 4.556 -0.000 0.000 0.269 108 H C 1.029 176.430 175.328 0.123 0.000 0.998 108 H CA 0.582 56.642 56.048 0.021 0.000 1.193 108 H CB 1.147 30.857 29.762 -0.087 0.000 1.485 108 H HN 0.601 nan 8.280 nan 0.000 0.521 109 G N 0.328 109.286 108.800 0.263 0.000 2.131 109 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.223 109 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.223 109 G C -0.278 174.736 174.900 0.191 0.000 0.990 109 G CA -0.577 44.663 45.100 0.234 0.000 0.671 109 G HN 0.155 nan 8.290 nan 0.000 0.521 110 F N 2.157 122.079 119.950 -0.048 0.000 2.602 110 F HA 0.408 4.935 4.527 -0.000 0.000 0.385 110 F C 1.266 176.814 175.800 -0.420 0.000 1.063 110 F CA 0.872 58.726 58.000 -0.244 0.000 1.233 110 F CB 0.781 39.710 39.000 -0.120 0.000 1.067 110 F HN -0.001 nan 8.300 nan 0.000 0.564 111 T N 5.603 119.843 114.554 -0.525 0.000 2.829 111 T HA 0.620 4.970 4.350 -0.000 0.000 0.280 111 T C -0.834 173.440 174.700 -0.709 0.000 0.999 111 T CA -0.419 61.430 62.100 -0.419 0.000 0.983 111 T CB 0.668 69.451 68.868 -0.141 0.000 0.968 111 T HN 0.136 nan 8.240 nan 0.000 0.446 112 F N 0.935 120.933 119.950 0.080 0.000 2.546 112 F HA 0.442 4.969 4.527 -0.000 0.000 0.320 112 F C 0.414 176.225 175.800 0.019 0.000 1.076 112 F CA -1.417 56.614 58.000 0.051 0.000 0.928 112 F CB 1.161 40.204 39.000 0.073 0.000 1.189 112 F HN 0.421 nan 8.300 nan 0.000 0.465 113 D N 1.896 122.395 120.400 0.165 0.000 2.343 113 D HA 0.206 4.846 4.640 -0.000 0.000 0.255 113 D C 0.999 177.323 176.300 0.039 0.000 1.187 113 D CA 0.120 54.155 54.000 0.058 0.000 0.875 113 D CB 0.896 41.718 40.800 0.037 0.000 1.136 113 D HN 0.528 nan 8.370 nan 0.000 0.469 114 L N 2.829 124.003 121.223 -0.083 0.000 2.042 114 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 114 L C 2.124 178.961 176.870 -0.054 0.000 1.076 114 L CA 1.218 55.951 54.840 -0.179 0.000 0.749 114 L CB -0.384 41.278 42.059 -0.661 0.000 0.893 114 L HN 0.550 nan 8.230 nan 0.000 0.432 115 E N 0.114 120.271 120.200 -0.071 0.000 2.028 115 E HA -0.188 4.161 4.350 -0.000 0.000 0.191 115 E C 2.066 178.737 176.600 0.119 0.000 0.988 115 E CA 2.135 58.613 56.400 0.130 0.000 0.799 115 E CB -0.000 29.756 29.700 0.094 0.000 0.755 115 E HN 0.481 nan 8.360 nan 0.000 0.447 116 T N -4.570 110.026 114.554 0.070 0.000 3.015 116 T HA 0.321 4.671 4.350 -0.000 0.000 0.250 116 T C 1.594 176.329 174.700 0.058 0.000 1.057 116 T CA 0.608 62.744 62.100 0.059 0.000 1.066 116 T CB 0.450 69.346 68.868 0.046 0.000 0.959 116 T HN 0.374 nan 8.240 nan 0.000 0.488 117 G N 1.696 110.547 108.800 0.085 0.000 2.176 117 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.253 117 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.253 117 G C 0.031 175.051 174.900 0.200 0.000 0.979 117 G CA 0.329 45.495 45.100 0.111 0.000 0.641 117 G HN 0.858 nan 8.290 nan 0.000 0.530 118 K N 0.251 120.741 120.400 0.150 0.000 2.414 118 K HA 0.350 4.670 4.320 -0.000 0.000 0.272 118 K C 0.424 177.132 176.600 0.180 0.000 0.993 118 K CA -0.653 55.720 56.287 0.144 0.000 0.964 118 K CB 0.248 32.786 32.500 0.065 0.000 0.925 118 K HN 0.287 nan 8.250 nan 0.000 0.487 119 L N 6.914 128.218 121.223 0.135 0.000 2.433 119 L HA 0.043 4.383 4.340 -0.000 0.000 0.284 119 L C 0.686 177.471 176.870 -0.143 0.000 1.120 119 L CA 0.201 54.998 54.840 -0.072 0.000 0.879 119 L CB 0.695 42.715 42.059 -0.065 0.000 1.232 119 L HN 0.593 nan 8.230 nan 0.000 0.454 120 V N 1.601 121.416 119.914 -0.166 0.000 2.951 120 V HA 0.249 4.369 4.120 -0.000 0.000 0.255 120 V C 0.896 176.884 176.094 -0.177 0.000 1.088 120 V CA 1.205 63.425 62.300 -0.132 0.000 1.109 120 V CB -0.682 31.089 31.823 -0.087 0.000 0.724 120 V HN 0.897 nan 8.190 nan 0.000 0.471 121 T N -1.056 113.340 114.554 -0.264 0.000 2.636 121 T HA 0.529 4.878 4.350 -0.000 0.000 0.298 121 T C -2.164 172.304 174.700 -0.388 0.000 1.849 121 T CA -0.368 61.565 62.100 -0.278 0.000 0.963 121 T CB 1.192 69.942 68.868 -0.197 0.000 1.907 121 T HN 0.218 nan 8.240 nan 0.000 0.496 122 I N 2.710 123.066 120.570 -0.356 0.000 2.497 122 I HA 0.319 4.489 4.170 -0.000 0.000 0.284 122 I C 1.538 177.530 176.117 -0.209 0.000 1.060 122 I CA -0.881 60.198 61.300 -0.370 0.000 1.071 122 I CB 2.013 39.691 38.000 -0.538 0.000 1.216 122 I HN 0.520 nan 8.210 nan 0.000 0.442 123 V N 4.515 124.345 119.914 -0.140 0.000 2.252 123 V HA -0.371 3.749 4.120 -0.000 0.000 0.255 123 V C 2.046 178.072 176.094 -0.113 0.000 1.071 123 V CA 2.796 65.012 62.300 -0.140 0.000 1.050 123 V CB -0.517 31.247 31.823 -0.098 0.000 0.654 123 V HN 0.930 nan 8.190 nan 0.000 0.448 124 A N -0.929 121.853 122.820 -0.064 0.000 2.462 124 A HA 0.287 4.606 4.320 -0.000 0.000 0.261 124 A C 0.793 178.333 177.584 -0.072 0.000 1.323 124 A CA 0.342 52.350 52.037 -0.050 0.000 0.913 124 A CB -0.325 18.677 19.000 0.003 0.000 1.028 124 A HN 0.518 nan 8.150 nan 0.000 0.511 125 N N -0.235 118.395 118.700 -0.116 0.000 2.805 125 N HA 0.116 4.856 4.740 -0.000 0.000 0.216 125 N C -2.537 172.873 175.510 -0.167 0.000 1.447 125 N CA -0.830 52.141 53.050 -0.132 0.000 0.785 125 N CB 0.966 39.364 38.487 -0.148 0.000 1.458 125 N HN 0.005 nan 8.380 nan 0.000 0.547 126 P HA -0.043 nan 4.420 nan 0.000 0.228 126 P C 0.089 177.309 177.300 -0.134 0.000 1.151 126 P CA 1.124 64.135 63.100 -0.147 0.000 0.770 126 P CB 0.521 32.148 31.700 -0.122 0.000 0.786 127 E N -0.674 119.456 120.200 -0.118 0.000 2.548 127 E HA 0.061 4.411 4.350 -0.000 0.000 0.206 127 E C 0.390 176.928 176.600 -0.104 0.000 1.005 127 E CA -0.369 55.971 56.400 -0.100 0.000 0.951 127 E CB 0.184 29.838 29.700 -0.076 0.000 1.035 127 E HN 0.280 nan 8.360 nan 0.000 0.470 128 D N 2.090 122.410 120.400 -0.134 0.000 2.443 128 D HA -0.061 4.579 4.640 -0.000 0.000 0.239 128 D C 1.078 177.308 176.300 -0.116 0.000 1.136 128 D CA 0.349 54.272 54.000 -0.129 0.000 0.879 128 D CB 1.047 41.741 40.800 -0.176 0.000 1.195 128 D HN 0.108 nan 8.370 nan 0.000 0.443 129 K N 2.723 123.072 120.400 -0.084 0.000 2.362 129 K HA -0.159 4.161 4.320 -0.000 0.000 0.200 129 K C 1.897 178.457 176.600 -0.067 0.000 1.046 129 K CA 0.589 56.837 56.287 -0.065 0.000 0.952 129 K CB -0.054 32.420 32.500 -0.044 0.000 0.753 129 K HN 0.258 nan 8.250 nan 0.000 0.466 130 L N 1.730 122.903 121.223 -0.083 0.000 2.201 130 L HA 0.135 4.475 4.340 -0.000 0.000 0.212 130 L C 0.566 177.375 176.870 -0.101 0.000 1.105 130 L CA 0.912 55.711 54.840 -0.069 0.000 0.775 130 L CB -0.130 41.895 42.059 -0.058 0.000 0.913 130 L HN 0.180 nan 8.230 nan 0.000 0.440 131 I N 0.621 121.095 120.570 -0.160 0.000 2.752 131 I HA 0.068 4.238 4.170 -0.000 0.000 0.289 131 I C 1.645 177.702 176.117 -0.100 0.000 1.197 131 I CA 0.959 62.156 61.300 -0.172 0.000 1.432 131 I CB -0.284 37.598 38.000 -0.196 0.000 1.359 131 I HN 0.487 nan 8.210 nan 0.000 0.571 132 G N 3.954 112.707 108.800 -0.078 0.000 2.234 132 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.260 132 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.260 132 G C 0.915 175.806 174.900 -0.014 0.000 0.987 132 G CA 0.699 45.775 45.100 -0.040 0.000 0.625 132 G HN 0.742 nan 8.290 nan 0.000 0.532 133 T N -2.818 111.729 114.554 -0.012 0.000 3.129 133 T HA 0.486 4.836 4.350 -0.000 0.000 0.251 133 T C 0.790 175.507 174.700 0.029 0.000 1.117 133 T CA 1.801 63.904 62.100 0.005 0.000 1.034 133 T CB 0.658 69.526 68.868 0.001 0.000 0.968 133 T HN 1.307 nan 8.240 nan 0.000 0.526 134 T N -1.540 113.043 114.554 0.049 0.000 2.661 134 T HA 0.608 4.958 4.350 -0.000 0.000 0.305 134 T C -1.221 173.557 174.700 0.130 0.000 1.535 134 T CA 0.142 62.291 62.100 0.081 0.000 1.000 134 T CB 1.135 70.062 68.868 0.099 0.000 1.811 134 T HN 0.819 nan 8.240 nan 0.000 0.471 135 G N -0.253 108.645 108.800 0.164 0.000 2.320 135 G HA2 0.518 4.478 3.960 -0.000 0.000 0.296 135 G HA3 0.518 4.478 3.960 -0.000 0.000 0.296 135 G C -1.042 173.915 174.900 0.094 0.000 1.306 135 G CA 0.162 45.407 45.100 0.242 0.000 0.836 135 G HN 1.581 nan 8.290 nan 0.000 0.517 136 V N -1.902 117.989 119.914 -0.039 0.000 2.834 136 V HA 0.853 4.973 4.120 -0.000 0.000 0.313 136 V C 0.594 176.618 176.094 -0.118 0.000 1.060 136 V CA -0.402 61.798 62.300 -0.166 0.000 0.989 136 V CB 1.179 32.754 31.823 -0.414 0.000 1.041 136 V HN 0.977 nan 8.190 nan 0.000 0.459 137 T N 3.203 117.676 114.554 -0.136 0.000 2.932 137 T HA 0.390 4.739 4.350 -0.000 0.000 0.312 137 T C 0.455 174.909 174.700 -0.410 0.000 1.071 137 T CA 0.584 62.530 62.100 -0.257 0.000 1.128 137 T CB 0.329 69.020 68.868 -0.295 0.000 0.984 137 T HN 1.236 nan 8.240 nan 0.000 0.549 138 T N 0.056 114.327 114.554 -0.472 0.000 2.918 138 T HA 0.650 5.000 4.350 -0.000 0.000 0.286 138 T C -1.278 173.030 174.700 -0.652 0.000 1.026 138 T CA -0.872 61.007 62.100 -0.369 0.000 1.031 138 T CB 0.818 69.633 68.868 -0.089 0.000 1.046 138 T HN 0.493 nan 8.240 nan 0.000 0.479 139 Y N 0.674 121.018 120.300 0.074 0.000 2.338 139 Y HA 0.468 5.018 4.550 -0.000 0.000 0.333 139 Y C -2.558 173.388 175.900 0.077 0.000 0.968 139 Y CA -2.603 55.531 58.100 0.057 0.000 1.123 139 Y CB 1.799 40.270 38.460 0.018 0.000 1.165 139 Y HN 0.503 nan 8.280 nan 0.000 0.452 140 P HA 0.032 nan 4.420 nan 0.000 0.266 140 P C -0.829 176.637 177.300 0.277 0.000 1.195 140 P CA 0.123 63.318 63.100 0.158 0.000 0.768 140 P CB 0.736 32.464 31.700 0.046 0.000 0.838 141 V N 3.724 123.826 119.914 0.314 0.000 2.680 141 V HA 0.382 4.502 4.120 -0.000 0.000 0.309 141 V C -0.378 175.938 176.094 0.370 0.000 1.052 141 V CA -0.320 62.198 62.300 0.362 0.000 0.908 141 V CB 1.883 33.785 31.823 0.132 0.000 1.001 141 V HN 0.599 nan 8.190 nan 0.000 0.431 142 H N 3.415 122.648 119.070 0.272 0.000 3.092 142 H HA 0.401 4.957 4.556 -0.000 0.000 0.308 142 H C -0.860 174.517 175.328 0.082 0.000 1.047 142 H CA -0.379 55.687 56.048 0.029 0.000 1.466 142 H CB 1.417 30.962 29.762 -0.361 0.000 1.597 142 H HN 0.818 nan 8.280 nan 0.000 0.512 143 E N 4.299 124.633 120.200 0.224 0.000 2.156 143 E HA 0.508 4.858 4.350 -0.000 0.000 0.279 143 E C -1.359 175.370 176.600 0.214 0.000 0.965 143 E CA -0.753 55.758 56.400 0.185 0.000 0.789 143 E CB 1.473 31.213 29.700 0.067 0.000 1.098 143 E HN 0.281 nan 8.360 nan 0.000 0.397 144 V N 5.492 125.536 119.914 0.216 0.000 2.817 144 V HA 0.217 4.336 4.120 -0.000 0.000 0.303 144 V C -1.166 175.009 176.094 0.136 0.000 1.151 144 V CA -0.715 61.687 62.300 0.170 0.000 0.929 144 V CB 1.806 33.734 31.823 0.174 0.000 1.030 144 V HN 0.949 nan 8.190 nan 0.000 0.427 145 N N 4.741 123.501 118.700 0.100 0.000 2.698 145 N HA -0.208 4.532 4.740 -0.000 0.000 0.258 145 N C 1.073 176.642 175.510 0.100 0.000 0.978 145 N CA 1.920 55.024 53.050 0.091 0.000 0.777 145 N CB -0.962 37.579 38.487 0.090 0.000 0.907 145 N HN 1.891 nan 8.380 nan 0.000 0.543 146 G N -1.905 106.952 108.800 0.096 0.000 2.176 146 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.253 146 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.253 146 G C -0.016 174.973 174.900 0.149 0.000 0.979 146 G CA 0.533 45.704 45.100 0.119 0.000 0.641 146 G HN 0.359 nan 8.290 nan 0.000 0.530 147 M N 0.461 120.098 119.600 0.062 0.000 2.321 147 M HA 0.558 5.038 4.480 -0.000 0.000 0.315 147 M C -0.217 175.938 176.300 -0.241 0.000 1.052 147 M CA -0.681 54.516 55.300 -0.172 0.000 0.936 147 M CB 1.860 34.230 32.600 -0.384 0.000 1.639 147 M HN 0.057 nan 8.290 nan 0.000 0.433 148 I N 3.541 123.894 120.570 -0.363 0.000 2.330 148 I HA 0.336 4.506 4.170 -0.000 0.000 0.286 148 I C -0.955 174.948 176.117 -0.358 0.000 1.025 148 I CA -0.304 60.874 61.300 -0.203 0.000 1.197 148 I CB 0.480 38.425 38.000 -0.091 0.000 1.358 148 I HN 0.468 nan 8.210 nan 0.000 0.467 149 F N 5.453 125.361 119.950 -0.071 0.000 2.397 149 F HA 0.569 5.096 4.527 -0.000 0.000 0.331 149 F C 0.259 176.225 175.800 0.277 0.000 1.090 149 F CA -0.687 57.304 58.000 -0.015 0.000 1.065 149 F CB 1.543 40.498 39.000 -0.076 0.000 1.184 149 F HN 0.000 nan 8.300 nan 0.000 0.499 150 V N 2.895 123.095 119.914 0.476 0.000 2.709 150 V HA 0.248 4.368 4.120 -0.000 0.000 0.308 150 V C -1.054 175.161 176.094 0.202 0.000 1.062 150 V CA -0.953 61.559 62.300 0.354 0.000 0.901 150 V CB 2.038 33.939 31.823 0.129 0.000 1.003 150 V HN 0.524 nan 8.190 nan 0.000 0.425 151 F N 5.236 124.944 119.950 -0.403 0.000 2.423 151 F HA 0.465 4.992 4.527 -0.000 0.000 0.356 151 F C 0.199 175.852 175.800 -0.246 0.000 1.170 151 F CA -0.419 57.098 58.000 -0.804 0.000 1.163 151 F CB 0.661 38.791 39.000 -1.451 0.000 1.318 151 F HN 0.281 nan 8.300 nan 0.000 0.569 152 V N 7.631 127.284 119.914 -0.434 0.000 2.439 152 V HA 0.316 4.436 4.120 -0.000 0.000 0.271 152 V C 0.051 175.853 176.094 -0.487 0.000 1.040 152 V CA -0.157 61.945 62.300 -0.331 0.000 1.002 152 V CB 0.068 31.741 31.823 -0.250 0.000 1.000 152 V HN 0.763 nan 8.190 nan 0.000 0.477 153 R N 2.990 123.386 120.500 -0.175 0.000 2.836 153 R HA 0.699 5.039 4.340 -0.000 0.000 0.269 153 R C -0.766 175.556 176.300 0.037 0.000 1.010 153 R CA -1.038 54.920 56.100 -0.236 0.000 0.930 153 R CB 1.892 32.067 30.300 -0.209 0.000 1.218 153 R HN 0.528 nan 8.270 nan 0.000 0.473 154 E N 0.539 120.756 120.200 0.028 0.000 2.392 154 E HA 0.001 4.351 4.350 -0.000 0.000 0.259 154 E C -0.140 176.530 176.600 0.117 0.000 1.108 154 E CA -0.484 55.969 56.400 0.088 0.000 0.916 154 E CB 0.603 30.364 29.700 0.103 0.000 0.989 154 E HN 0.529 nan 8.360 nan 0.000 0.432 155 D N 1.430 121.877 120.400 0.078 0.000 2.221 155 D HA -0.163 4.477 4.640 -0.000 0.000 0.204 155 D C 0.919 177.252 176.300 0.054 0.000 0.982 155 D CA 1.310 55.336 54.000 0.043 0.000 0.857 155 D CB -0.137 40.678 40.800 0.025 0.000 0.934 155 D HN 0.473 nan 8.370 nan 0.000 0.475 156 D N -0.955 119.495 120.400 0.083 0.000 2.368 156 D HA -0.066 4.574 4.640 -0.000 0.000 0.218 156 D C 0.035 176.393 176.300 0.096 0.000 1.112 156 D CA -0.624 53.416 54.000 0.067 0.000 0.834 156 D CB -1.032 39.794 40.800 0.042 0.000 0.953 156 D HN 0.053 nan 8.370 nan 0.000 0.505 157 F N 3.677 123.641 119.950 0.024 0.000 2.466 157 F HA 0.255 4.782 4.527 -0.000 0.000 0.363 157 F C -1.863 173.961 175.800 0.040 0.000 1.109 157 F CA -2.364 55.665 58.000 0.049 0.000 1.161 157 F CB 0.424 39.480 39.000 0.093 0.000 1.117 157 F HN -0.186 nan 8.300 nan 0.000 0.539 158 P HA -0.055 nan 4.420 nan 0.000 0.265 158 P C -0.026 177.196 177.300 -0.130 0.000 1.187 158 P CA 0.103 63.071 63.100 -0.219 0.000 0.766 158 P CB 0.893 32.433 31.700 -0.266 0.000 0.820 159 D N 2.007 122.389 120.400 -0.030 0.000 2.123 159 D HA -0.195 4.445 4.640 -0.000 0.000 0.196 159 D C 1.763 178.048 176.300 -0.025 0.000 0.992 159 D CA 1.676 55.681 54.000 0.009 0.000 0.833 159 D CB -0.323 40.480 40.800 0.006 0.000 0.954 159 D HN 0.668 nan 8.370 nan 0.000 0.455 160 E N 0.414 120.578 120.200 -0.060 0.000 2.333 160 E HA -0.162 4.188 4.350 -0.000 0.000 0.198 160 E C 0.614 177.170 176.600 -0.073 0.000 1.007 160 E CA 1.021 57.385 56.400 -0.059 0.000 0.845 160 E CB -0.047 29.616 29.700 -0.061 0.000 0.766 160 E HN 0.093 nan 8.360 nan 0.000 0.507 161 D N 0.737 121.056 120.400 -0.135 0.000 2.339 161 D HA 0.059 4.699 4.640 -0.000 0.000 0.217 161 D C -0.203 176.164 176.300 0.113 0.000 1.050 161 D CA 0.048 53.971 54.000 -0.128 0.000 0.856 161 D CB 0.524 41.011 40.800 -0.521 0.000 0.922 161 D HN 0.008 nan 8.370 nan 0.000 0.518 162 V N 4.390 124.346 119.914 0.070 0.000 2.450 162 V HA 0.094 4.214 4.120 -0.000 0.000 0.281 162 V C -1.521 174.465 176.094 -0.181 0.000 1.019 162 V CA -0.821 61.352 62.300 -0.211 0.000 1.062 162 V CB 0.355 31.961 31.823 -0.361 0.000 0.979 162 V HN 0.086 nan 8.190 nan 0.000 0.477 163 P HA 0.398 nan 4.420 nan 0.000 0.278 163 P C -2.762 174.552 177.300 0.023 0.000 1.266 163 P CA -1.957 61.120 63.100 -0.038 0.000 0.807 163 P CB 0.517 32.278 31.700 0.102 0.000 1.094 164 P HA 0.035 nan 4.420 nan 0.000 0.275 164 P C 1.048 178.119 177.300 -0.380 0.000 1.228 164 P CA -0.364 62.567 63.100 -0.282 0.000 0.786 164 P CB 0.697 32.139 31.700 -0.429 0.000 0.927 165 L N 3.861 124.607 121.223 -0.795 0.000 2.081 165 L HA -0.232 4.108 4.340 -0.000 0.000 0.212 165 L C 2.357 178.791 176.870 -0.727 0.000 1.080 165 L CA 2.562 56.570 54.840 -1.388 0.000 0.754 165 L CB -1.593 39.410 42.059 -1.760 0.000 0.893 165 L HN 0.487 nan 8.230 nan 0.000 0.433 166 A N -1.404 121.106 122.820 -0.516 0.000 1.986 166 A HA -0.293 4.027 4.320 -0.000 0.000 0.220 166 A C 2.132 179.651 177.584 -0.109 0.000 1.171 166 A CA 2.000 53.855 52.037 -0.304 0.000 0.640 166 A CB -1.213 17.667 19.000 -0.199 0.000 0.811 166 A HN 0.784 nan 8.150 nan 0.000 0.451 167 H N -1.447 117.518 119.070 -0.174 0.000 2.521 167 H HA -0.066 4.490 4.556 -0.000 0.000 0.286 167 H C 0.279 175.564 175.328 -0.073 0.000 1.034 167 H CA 0.715 56.707 56.048 -0.094 0.000 1.278 167 H CB 0.220 29.974 29.762 -0.012 0.000 1.386 167 H HN 0.401 nan 8.280 nan 0.000 0.567 168 D N 0.270 120.695 120.400 0.042 0.000 2.559 168 D HA 0.232 4.871 4.640 -0.000 0.000 0.234 168 D C -0.341 175.896 176.300 -0.105 0.000 1.226 168 D CA 0.133 54.161 54.000 0.046 0.000 0.830 168 D CB 0.636 41.578 40.800 0.237 0.000 1.028 168 D HN 0.201 nan 8.370 nan 0.000 0.492 169 L N 0.257 121.346 121.223 -0.223 0.000 2.354 169 L HA 0.482 4.822 4.340 -0.000 0.000 0.264 169 L C -2.279 174.371 176.870 -0.366 0.000 1.008 169 L CA -2.278 52.379 54.840 -0.305 0.000 0.819 169 L CB 2.481 44.309 42.059 -0.386 0.000 1.339 169 L HN -0.307 nan 8.230 nan 0.000 0.420 170 P HA -0.043 nan 4.420 nan 0.000 0.270 170 P C -0.790 176.295 177.300 -0.358 0.000 1.221 170 P CA 0.062 62.923 63.100 -0.398 0.000 0.788 170 P CB 0.264 31.888 31.700 -0.126 0.000 0.904 171 F N 0.459 120.341 119.950 -0.115 0.000 2.602 171 F HA 0.073 4.600 4.527 -0.000 0.000 0.367 171 F C 1.706 177.375 175.800 -0.219 0.000 1.126 171 F CA 0.421 58.321 58.000 -0.167 0.000 1.321 171 F CB 0.081 38.950 39.000 -0.219 0.000 1.094 171 F HN 0.034 nan 8.300 nan 0.000 0.594 172 R N 2.465 122.912 120.500 -0.088 0.000 2.486 172 R HA 0.624 4.964 4.340 -0.000 0.000 0.286 172 R C -1.410 174.708 176.300 -0.303 0.000 0.999 172 R CA -0.777 55.265 56.100 -0.098 0.000 0.993 172 R CB 1.172 31.456 30.300 -0.026 0.000 1.084 172 R HN 0.441 nan 8.270 nan 0.000 0.487 173 F N 1.263 121.308 119.950 0.159 0.000 2.577 173 F HA 0.348 4.875 4.527 -0.000 0.000 0.318 173 F C -1.198 174.683 175.800 0.134 0.000 1.065 173 F CA -2.090 56.010 58.000 0.166 0.000 0.929 173 F CB 1.793 40.875 39.000 0.137 0.000 1.237 173 F HN 0.419 nan 8.300 nan 0.000 0.468 174 P HA -0.084 nan 4.420 nan 0.000 0.245 174 P C 1.009 178.445 177.300 0.226 0.000 1.212 174 P CA 0.789 64.105 63.100 0.360 0.000 0.774 174 P CB 0.143 31.993 31.700 0.250 0.000 0.999 175 E N 1.663 121.935 120.200 0.120 0.000 2.108 175 E HA -0.214 4.136 4.350 -0.000 0.000 0.203 175 E C 1.038 177.641 176.600 0.005 0.000 1.022 175 E CA 1.245 57.669 56.400 0.041 0.000 0.823 175 E CB 0.035 29.739 29.700 0.006 0.000 0.744 175 E HN 0.141 nan 8.360 nan 0.000 0.456 176 R N 0.235 120.690 120.500 -0.075 0.000 2.552 176 R HA 0.225 4.565 4.340 -0.000 0.000 0.314 176 R C 1.591 177.964 176.300 0.122 0.000 1.041 176 R CA 0.056 56.092 56.100 -0.107 0.000 1.076 176 R CB 0.575 30.763 30.300 -0.187 0.000 1.290 176 R HN 0.046 nan 8.270 nan 0.000 0.563 177 S N 1.752 117.668 115.700 0.361 0.000 2.382 177 S HA -0.177 4.293 4.470 -0.000 0.000 0.228 177 S C 2.304 177.041 174.600 0.229 0.000 1.027 177 S CA 1.889 60.426 58.200 0.562 0.000 0.991 177 S CB 0.163 63.620 63.200 0.428 0.000 0.823 177 S HN 0.698 nan 8.310 nan 0.000 0.469 178 E N 1.168 121.419 120.200 0.086 0.000 2.072 178 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 178 E C 1.793 178.370 176.600 -0.038 0.000 0.985 178 E CA 1.436 57.837 56.400 0.002 0.000 0.801 178 E CB -0.888 28.796 29.700 -0.027 0.000 0.750 178 E HN 0.696 nan 8.360 nan 0.000 0.452 179 Q N -1.723 117.986 119.800 -0.151 0.000 2.119 179 Q HA 0.003 4.343 4.340 -0.000 0.000 0.201 179 Q C -0.187 175.580 176.000 -0.388 0.000 0.972 179 Q CA 1.050 56.599 55.803 -0.423 0.000 0.847 179 Q CB 0.023 28.269 28.738 -0.821 0.000 0.903 179 Q HN 0.592 nan 8.270 nan 0.000 0.433 180 F N 1.099 121.222 119.950 0.288 0.000 2.550 180 F HA 0.434 4.961 4.527 -0.000 0.000 0.348 180 F C -2.254 173.835 175.800 0.481 0.000 1.219 180 F CA -2.674 55.588 58.000 0.437 0.000 1.203 180 F CB 1.210 40.394 39.000 0.307 0.000 1.436 180 F HN -0.053 nan 8.300 nan 0.000 0.541 181 P HA -0.034 nan 4.420 nan 0.000 0.264 181 P C -0.654 176.649 177.300 0.005 0.000 1.183 181 P CA 0.443 63.605 63.100 0.104 0.000 0.763 181 P CB 0.160 31.867 31.700 0.011 0.000 0.807 182 H N 1.585 120.480 119.070 -0.292 0.000 2.514 182 H HA 0.300 4.856 4.556 -0.000 0.000 0.226 182 H C -2.267 172.591 175.328 -0.783 0.000 1.421 182 H CA -2.073 53.478 56.048 -0.827 0.000 1.394 182 H CB 0.013 29.077 29.762 -1.164 0.000 1.701 182 H HN 0.214 nan 8.280 nan 0.000 0.515 183 P HA -0.116 nan 4.420 nan 0.000 0.225 183 P C 0.788 177.874 177.300 -0.357 0.000 1.148 183 P CA 0.674 63.541 63.100 -0.388 0.000 0.779 183 P CB 0.653 32.193 31.700 -0.268 0.000 0.780 184 L N -2.162 118.748 121.223 -0.522 0.000 2.592 184 L HA 0.171 4.511 4.340 -0.000 0.000 0.227 184 L C 0.390 177.252 176.870 -0.014 0.000 1.127 184 L CA -0.183 54.464 54.840 -0.323 0.000 0.884 184 L CB -0.388 41.394 42.059 -0.462 0.000 1.065 184 L HN 0.097 nan 8.230 nan 0.000 0.457 185 W N -2.023 119.239 121.300 -0.063 0.000 3.275 185 W HA 0.525 5.185 4.660 -0.000 0.000 0.306 185 W C -3.115 173.399 176.519 -0.010 0.000 1.259 185 W CA -2.087 55.213 57.345 -0.075 0.000 1.194 185 W CB -0.301 29.080 29.460 -0.133 0.000 1.375 185 W HN -0.391 nan 8.180 nan 0.000 0.564 186 P HA 0.150 nan 4.420 nan 0.000 0.274 186 P C -0.032 177.335 177.300 0.111 0.000 1.246 186 P CA 0.033 63.197 63.100 0.106 0.000 0.795 186 P CB 1.053 32.729 31.700 -0.039 0.000 1.006 187 S N 0.421 116.196 115.700 0.125 0.000 2.558 187 S HA 0.074 4.544 4.470 -0.000 0.000 0.293 187 S C 0.553 175.173 174.600 0.033 0.000 1.292 187 S CA 0.100 58.303 58.200 0.004 0.000 1.063 187 S CB -0.412 62.917 63.200 0.215 0.000 0.831 187 S HN 0.360 nan 8.310 nan 0.000 0.499 188 S N 4.759 120.442 115.700 -0.028 0.000 2.537 188 S HA 0.405 4.875 4.470 -0.000 0.000 0.275 188 S C -1.897 172.819 174.600 0.194 0.000 1.272 188 S CA -0.994 57.239 58.200 0.054 0.000 1.050 188 S CB 0.726 63.928 63.200 0.003 0.000 0.961 188 S HN 0.545 nan 8.310 nan 0.000 0.496 189 P HA 0.283 nan 4.420 nan 0.000 0.278 189 P C -0.621 176.844 177.300 0.276 0.000 1.258 189 P CA -0.496 62.718 63.100 0.191 0.000 0.811 189 P CB 1.079 32.857 31.700 0.129 0.000 1.063 190 S N -0.394 115.427 115.700 0.202 0.000 2.621 190 S HA 0.257 4.727 4.470 -0.000 0.000 0.302 190 S C 1.257 175.911 174.600 0.090 0.000 1.093 190 S CA -0.852 57.431 58.200 0.139 0.000 1.017 190 S CB 0.771 63.993 63.200 0.036 0.000 1.077 190 S HN 0.145 nan 8.310 nan 0.000 0.517 191 V N 3.811 123.725 119.914 0.000 0.000 2.759 191 V HA -0.077 4.043 4.120 -0.000 0.000 0.256 191 V C 1.843 177.946 176.094 0.015 0.000 1.080 191 V CA 1.529 63.861 62.300 0.053 0.000 1.101 191 V CB -0.747 31.120 31.823 0.074 0.000 0.698 191 V HN 0.742 nan 8.190 nan 0.000 0.477 192 L N -0.876 120.316 121.223 -0.052 0.000 2.492 192 L HA 0.084 4.424 4.340 -0.000 0.000 0.223 192 L C 0.503 177.369 176.870 -0.006 0.000 1.132 192 L CA 0.185 54.989 54.840 -0.060 0.000 0.850 192 L CB -0.306 41.676 42.059 -0.129 0.000 0.966 192 L HN 0.291 nan 8.230 nan 0.000 0.454 193 D N 0.767 121.181 120.400 0.022 0.000 2.382 193 D HA 0.044 4.684 4.640 -0.000 0.000 0.245 193 D C -0.182 176.142 176.300 0.039 0.000 1.120 193 D CA 0.042 54.065 54.000 0.038 0.000 0.890 193 D CB 0.729 41.566 40.800 0.060 0.000 1.201 193 D HN -0.077 nan 8.370 nan 0.000 0.433 194 D N 0.833 121.254 120.400 0.034 0.000 2.455 194 D HA 0.011 4.651 4.640 -0.000 0.000 0.241 194 D C 0.734 177.056 176.300 0.035 0.000 1.138 194 D CA 0.454 54.473 54.000 0.033 0.000 0.877 194 D CB 0.114 40.930 40.800 0.027 0.000 1.187 194 D HN 0.414 nan 8.370 nan 0.000 0.451 195 N N -0.654 118.068 118.700 0.037 0.000 2.828 195 N HA -0.224 4.516 4.740 -0.000 0.000 0.248 195 N C -0.556 174.979 175.510 0.041 0.000 1.044 195 N CA 0.431 53.503 53.050 0.038 0.000 0.851 195 N CB -0.559 37.946 38.487 0.030 0.000 1.136 195 N HN 0.476 nan 8.380 nan 0.000 0.572 196 A N 0.658 123.508 122.820 0.050 0.000 2.409 196 A HA 0.528 4.847 4.320 -0.000 0.000 0.262 196 A C 0.417 178.045 177.584 0.074 0.000 1.113 196 A CA 0.009 52.082 52.037 0.061 0.000 0.790 196 A CB 0.696 19.745 19.000 0.082 0.000 1.046 196 A HN 0.074 nan 8.150 nan 0.000 0.496 197 V N 3.524 123.491 119.914 0.088 0.000 2.513 197 V HA 0.436 4.555 4.120 -0.000 0.000 0.299 197 V C -0.156 176.017 176.094 0.132 0.000 1.035 197 V CA -0.497 61.862 62.300 0.098 0.000 0.889 197 V CB 1.699 33.628 31.823 0.178 0.000 0.988 197 V HN 0.642 nan 8.190 nan 0.000 0.440 198 V N 4.511 124.406 119.914 -0.032 0.000 2.459 198 V HA 0.580 4.700 4.120 -0.000 0.000 0.295 198 V C -0.695 175.178 176.094 -0.368 0.000 1.029 198 V CA -0.563 61.729 62.300 -0.014 0.000 0.874 198 V CB 1.590 33.499 31.823 0.143 0.000 0.985 198 V HN 0.840 nan 8.190 nan 0.000 0.438 199 H N 2.383 121.346 119.070 -0.179 0.000 2.679 199 H HA 0.843 5.398 4.556 -0.000 0.000 0.360 199 H C 0.248 175.267 175.328 -0.515 0.000 1.105 199 H CA 0.200 55.840 56.048 -0.680 0.000 1.196 199 H CB 2.262 31.160 29.762 -1.441 0.000 1.636 199 H HN 0.953 nan 8.280 nan 0.000 0.531 200 G N 1.113 109.711 108.800 -0.337 0.000 2.335 200 G HA2 0.417 4.377 3.960 -0.000 0.000 0.291 200 G HA3 0.417 4.377 3.960 -0.000 0.000 0.291 200 G C -1.409 173.525 174.900 0.056 0.000 1.261 200 G CA -0.327 44.805 45.100 0.053 0.000 0.871 200 G HN 0.630 nan 8.290 nan 0.000 0.491 201 M N -0.977 118.779 119.600 0.260 0.000 2.773 201 M HA 0.784 5.264 4.480 -0.000 0.000 0.270 201 M C -1.647 174.631 176.300 -0.036 0.000 1.238 201 M CA -1.013 54.376 55.300 0.148 0.000 0.832 201 M CB 2.356 34.932 32.600 -0.039 0.000 1.672 201 M HN 1.157 nan 8.290 nan 0.000 0.480 202 H N -1.150 117.701 119.070 -0.365 0.000 2.856 202 H HA 0.817 5.372 4.556 -0.000 0.000 0.355 202 H C -1.885 173.151 175.328 -0.488 0.000 1.079 202 H CA -0.865 54.709 56.048 -0.791 0.000 1.240 202 H CB 1.511 30.054 29.762 -2.031 0.000 1.701 202 H HN 0.821 nan 8.280 nan 0.000 0.527 203 R N 2.004 122.346 120.500 -0.264 0.000 2.686 203 R HA 0.433 4.773 4.340 -0.000 0.000 0.286 203 R C -0.827 175.347 176.300 -0.211 0.000 0.969 203 R CA -1.117 54.875 56.100 -0.179 0.000 0.898 203 R CB 2.278 32.527 30.300 -0.085 0.000 1.183 203 R HN 0.693 nan 8.270 nan 0.000 0.456 204 T N 1.337 115.734 114.554 -0.263 0.000 2.888 204 T HA 0.204 4.554 4.350 -0.000 0.000 0.301 204 T C 0.424 174.649 174.700 -0.792 0.000 1.001 204 T CA -0.031 61.796 62.100 -0.454 0.000 1.147 204 T CB 0.917 69.573 68.868 -0.354 0.000 0.931 204 T HN 0.692 nan 8.240 nan 0.000 0.541 205 G N 1.848 110.057 108.800 -0.986 0.000 2.388 205 G HA2 0.606 4.566 3.960 -0.000 0.000 0.330 205 G HA3 0.606 4.566 3.960 -0.000 0.000 0.330 205 G C -0.899 173.387 174.900 -1.025 0.000 1.142 205 G CA -0.812 43.647 45.100 -1.070 0.000 0.908 205 G HN 0.639 nan 8.290 nan 0.000 0.473 206 F N 1.674 121.551 119.950 -0.123 0.000 2.335 206 F HA 0.639 5.166 4.527 -0.000 0.000 0.365 206 F C 0.940 176.758 175.800 0.030 0.000 1.122 206 F CA 0.162 58.131 58.000 -0.052 0.000 1.151 206 F CB 1.493 40.456 39.000 -0.061 0.000 1.282 206 F HN 0.864 nan 8.300 nan 0.000 0.513 207 G N 2.330 111.235 108.800 0.174 0.000 2.347 207 G HA2 0.003 3.963 3.960 -0.000 0.000 0.321 207 G HA3 0.003 3.963 3.960 -0.000 0.000 0.321 207 G C -1.861 173.163 174.900 0.207 0.000 1.412 207 G CA -1.438 43.759 45.100 0.161 0.000 0.990 207 G HN 0.588 nan 8.290 nan 0.000 0.637 208 N N 0.613 119.383 118.700 0.117 0.000 2.492 208 N HA 0.205 4.945 4.740 -0.000 0.000 0.260 208 N C 1.806 177.264 175.510 -0.087 0.000 1.215 208 N CA 0.365 53.456 53.050 0.067 0.000 0.923 208 N CB 0.361 38.879 38.487 0.052 0.000 1.092 208 N HN 0.732 nan 8.380 nan 0.000 0.448 209 W N 4.473 125.680 121.300 -0.156 0.000 2.342 209 W HA -0.200 4.460 4.660 -0.000 0.000 0.297 209 W C 0.951 177.337 176.519 -0.220 0.000 1.213 209 W CA 0.681 57.860 57.345 -0.277 0.000 1.251 209 W CB -0.649 28.777 29.460 -0.057 0.000 1.136 209 W HN 0.562 nan 8.180 nan 0.000 0.526 210 R N 0.362 120.131 120.500 -1.219 0.000 2.083 210 R HA -0.191 4.149 4.340 -0.000 0.000 0.237 210 R C 2.326 178.360 176.300 -0.444 0.000 1.137 210 R CA 2.178 57.642 56.100 -1.060 0.000 0.951 210 R CB -0.547 29.132 30.300 -1.035 0.000 0.851 210 R HN 0.129 nan 8.270 nan 0.000 0.434 211 I N 0.709 121.038 120.570 -0.400 0.000 2.286 211 I HA -0.200 3.970 4.170 -0.000 0.000 0.248 211 I C 2.446 178.308 176.117 -0.425 0.000 1.115 211 I CA 1.313 62.364 61.300 -0.415 0.000 1.392 211 I CB -1.385 36.382 38.000 -0.389 0.000 1.065 211 I HN 0.177 nan 8.210 nan 0.000 0.418 212 A N -0.109 122.434 122.820 -0.461 0.000 1.897 212 A HA -0.237 4.083 4.320 -0.000 0.000 0.215 212 A C 2.655 179.749 177.584 -0.816 0.000 1.181 212 A CA 1.569 53.307 52.037 -0.498 0.000 0.620 212 A CB -1.293 17.397 19.000 -0.518 0.000 0.821 212 A HN 0.532 nan 8.150 nan 0.000 0.443 213 C N 0.204 118.922 119.300 -0.971 0.000 2.413 213 C HA -0.143 4.317 4.460 -0.000 0.000 0.276 213 C C 2.550 177.069 174.990 -0.785 0.000 1.236 213 C CA 1.703 59.937 59.018 -1.307 0.000 1.735 213 C CB -1.389 26.100 27.740 -0.419 0.000 2.031 213 C HN 0.696 nan 8.230 nan 0.000 0.474 214 E N 0.354 120.199 120.200 -0.593 0.000 2.153 214 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 214 E C 2.070 178.118 176.600 -0.920 0.000 0.988 214 E CA 1.295 57.202 56.400 -0.822 0.000 0.811 214 E CB -0.491 28.936 29.700 -0.456 0.000 0.746 214 E HN 0.767 nan 8.360 nan 0.000 0.466 215 N N 1.143 119.455 118.700 -0.646 0.000 2.244 215 N HA -0.124 4.616 4.740 -0.000 0.000 0.183 215 N C 2.015 177.256 175.510 -0.449 0.000 1.016 215 N CA 1.304 54.026 53.050 -0.547 0.000 0.866 215 N CB -0.159 38.064 38.487 -0.440 0.000 0.980 215 N HN 0.135 nan 8.380 nan 0.000 0.430 216 G N 0.722 109.281 108.800 -0.401 0.000 2.469 216 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.219 216 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.219 216 G C 1.035 175.937 174.900 0.002 0.000 1.150 216 G CA 1.137 46.195 45.100 -0.071 0.000 0.763 216 G HN 0.563 nan 8.290 nan 0.000 0.561 217 F N -0.136 119.722 119.950 -0.153 0.000 2.708 217 F HA 0.446 4.973 4.527 -0.000 0.000 0.300 217 F C -0.018 175.730 175.800 -0.087 0.000 1.118 217 F CA -1.644 56.281 58.000 -0.126 0.000 1.307 217 F CB -0.148 38.748 39.000 -0.173 0.000 0.986 217 F HN -0.105 nan 8.300 nan 0.000 0.522 218 D N 2.013 122.245 120.400 -0.279 0.000 2.417 218 D HA -0.037 4.603 4.640 -0.000 0.000 0.250 218 D C 0.333 176.687 176.300 0.089 0.000 1.166 218 D CA 0.205 54.110 54.000 -0.158 0.000 0.881 218 D CB 0.771 41.416 40.800 -0.260 0.000 1.164 218 D HN 0.316 nan 8.370 nan 0.000 0.467 219 N N 2.369 121.088 118.700 0.033 0.000 2.353 219 N HA 0.029 4.769 4.740 -0.000 0.000 0.185 219 N C -0.103 175.421 175.510 0.022 0.000 1.098 219 N CA 0.054 53.081 53.050 -0.038 0.000 0.872 219 N CB 0.759 39.087 38.487 -0.265 0.000 0.970 219 N HN 0.344 nan 8.380 nan 0.000 0.467 220 A N 1.515 124.410 122.820 0.124 0.000 3.105 220 A HA 0.248 4.568 4.320 -0.000 0.000 0.336 220 A C -0.533 177.150 177.584 0.165 0.000 1.042 220 A CA -0.635 51.467 52.037 0.108 0.000 0.851 220 A CB -0.376 18.691 19.000 0.111 0.000 1.068 220 A HN 0.347 nan 8.150 nan 0.000 0.477 221 H N 0.863 119.943 119.070 0.017 0.000 2.712 221 H HA 0.204 4.760 4.556 -0.000 0.000 0.226 221 H C 0.356 175.702 175.328 0.030 0.000 1.422 221 H CA -0.373 55.674 56.048 -0.001 0.000 1.270 221 H CB -0.725 29.008 29.762 -0.047 0.000 1.891 221 H HN 0.441 nan 8.280 nan 0.000 0.518 222 I N 0.940 121.506 120.570 -0.006 0.000 2.208 222 I HA -0.249 3.920 4.170 -0.000 0.000 0.245 222 I C 1.559 177.692 176.117 0.027 0.000 1.097 222 I CA 0.973 62.283 61.300 0.016 0.000 1.363 222 I CB 0.147 38.172 38.000 0.042 0.000 1.051 222 I HN 0.330 nan 8.210 nan 0.000 0.413 223 L N 0.093 121.329 121.223 0.022 0.000 2.189 223 L HA -0.228 4.112 4.340 -0.000 0.000 0.214 223 L C 2.437 179.281 176.870 -0.042 0.000 1.097 223 L CA 0.855 55.698 54.840 0.004 0.000 0.764 223 L CB -0.663 41.398 42.059 0.003 0.000 0.900 223 L HN 0.186 nan 8.230 nan 0.000 0.436 224 V N -1.257 118.604 119.914 -0.088 0.000 2.548 224 V HA -0.204 3.915 4.120 -0.000 0.000 0.249 224 V C 1.931 177.766 176.094 -0.431 0.000 1.055 224 V CA 1.428 63.575 62.300 -0.255 0.000 1.065 224 V CB -0.524 31.125 31.823 -0.291 0.000 0.681 224 V HN 0.495 nan 8.190 nan 0.000 0.462 225 H N -0.142 118.867 119.070 -0.103 0.000 2.755 225 H HA 0.125 4.681 4.556 -0.000 0.000 0.273 225 H C 2.041 177.355 175.328 -0.023 0.000 1.055 225 H CA 0.409 56.367 56.048 -0.150 0.000 1.191 225 H CB 0.281 29.856 29.762 -0.312 0.000 1.536 225 H HN 0.568 nan 8.280 nan 0.000 0.529 226 K N 0.742 121.193 120.400 0.086 0.000 2.160 226 K HA -0.144 4.176 4.320 -0.000 0.000 0.206 226 K C 0.496 177.122 176.600 0.043 0.000 1.047 226 K CA 1.915 58.258 56.287 0.093 0.000 0.930 226 K CB 0.105 32.662 32.500 0.096 0.000 0.720 226 K HN -0.024 nan 8.250 nan 0.000 0.450 227 D N 0.491 120.913 120.400 0.038 0.000 2.350 227 D HA 0.036 4.676 4.640 -0.000 0.000 0.213 227 D C -0.283 176.001 176.300 -0.025 0.000 1.031 227 D CA 0.036 54.080 54.000 0.072 0.000 0.861 227 D CB -0.127 40.725 40.800 0.088 0.000 0.926 227 D HN 0.173 nan 8.370 nan 0.000 0.520 228 N N 0.820 119.499 118.700 -0.034 0.000 2.407 228 N HA -0.055 4.685 4.740 -0.000 0.000 0.250 228 N C 1.614 177.078 175.510 -0.077 0.000 1.236 228 N CA 0.382 53.449 53.050 0.027 0.000 0.879 228 N CB 0.903 39.504 38.487 0.190 0.000 1.088 228 N HN 0.113 nan 8.380 nan 0.000 0.450 229 T N -0.605 113.953 114.554 0.007 0.000 2.788 229 T HA -0.151 4.199 4.350 -0.000 0.000 0.268 229 T C 1.842 176.493 174.700 -0.082 0.000 1.044 229 T CA 0.593 62.691 62.100 -0.003 0.000 1.139 229 T CB -0.239 68.642 68.868 0.022 0.000 0.867 229 T HN 0.582 nan 8.240 nan 0.000 0.454 230 I N 1.092 121.613 120.570 -0.081 0.000 2.264 230 I HA -0.162 4.008 4.170 -0.000 0.000 0.248 230 I C 2.312 178.136 176.117 -0.487 0.000 1.111 230 I CA 1.078 62.231 61.300 -0.245 0.000 1.382 230 I CB -0.154 37.737 38.000 -0.182 0.000 1.060 230 I HN 0.111 nan 8.210 nan 0.000 0.418 231 V N 0.764 120.511 119.914 -0.278 0.000 2.343 231 V HA -0.330 3.790 4.120 -0.000 0.000 0.247 231 V C 2.132 178.096 176.094 -0.217 0.000 1.051 231 V CA 2.452 64.633 62.300 -0.198 0.000 1.036 231 V CB -1.099 30.719 31.823 -0.009 0.000 0.654 231 V HN 0.554 nan 8.190 nan 0.000 0.451 232 H N -0.568 118.457 119.070 -0.076 0.000 2.448 232 H HA 0.156 4.712 4.556 -0.000 0.000 0.292 232 H C 2.256 177.509 175.328 -0.125 0.000 1.035 232 H CA 0.800 56.811 56.048 -0.061 0.000 1.349 232 H CB -0.018 29.733 29.762 -0.018 0.000 1.425 232 H HN 0.451 nan 8.280 nan 0.000 0.539 233 A N 1.001 123.771 122.820 -0.083 0.000 1.930 233 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 233 A C 1.913 179.366 177.584 -0.219 0.000 1.175 233 A CA 1.122 53.080 52.037 -0.132 0.000 0.627 233 A CB -0.073 18.834 19.000 -0.155 0.000 0.815 233 A HN 0.210 nan 8.150 nan 0.000 0.443 234 M N -0.486 118.852 119.600 -0.437 0.000 2.561 234 M HA 0.075 4.555 4.480 -0.000 0.000 0.238 234 M C -0.219 175.906 176.300 -0.291 0.000 1.131 234 M CA 0.275 55.242 55.300 -0.554 0.000 1.046 234 M CB -0.891 30.879 32.600 -1.383 0.000 1.532 234 M HN 0.374 nan 8.290 nan 0.000 0.497 235 D N -0.576 119.745 120.400 -0.132 0.000 2.945 235 D HA -0.174 4.466 4.640 -0.000 0.000 0.225 235 D C -0.759 175.667 176.300 0.211 0.000 1.158 235 D CA 0.610 54.642 54.000 0.054 0.000 0.805 235 D CB -1.014 39.819 40.800 0.056 0.000 1.098 235 D HN 0.323 nan 8.370 nan 0.000 0.426 236 W N 0.073 121.418 121.300 0.075 0.000 2.137 236 W HA 0.402 5.061 4.660 -0.000 0.000 0.344 236 W C 0.789 177.367 176.519 0.098 0.000 1.286 236 W CA -0.434 56.957 57.345 0.075 0.000 1.240 236 W CB 0.454 29.958 29.460 0.072 0.000 1.141 236 W HN -0.276 nan 8.180 nan 0.000 0.579 237 V N 5.397 125.499 119.914 0.312 0.000 2.398 237 V HA 0.244 4.364 4.120 -0.000 0.000 0.282 237 V C 0.150 176.342 176.094 0.162 0.000 1.014 237 V CA -0.884 61.541 62.300 0.209 0.000 0.838 237 V CB 0.483 32.398 31.823 0.153 0.000 1.018 237 V HN 0.272 nan 8.190 nan 0.000 0.432 238 L N 6.603 127.926 121.223 0.166 0.000 2.439 238 L HA 0.537 4.877 4.340 -0.000 0.000 0.261 238 L C -1.857 175.067 176.870 0.090 0.000 1.153 238 L CA -1.574 53.337 54.840 0.119 0.000 0.808 238 L CB 0.979 43.120 42.059 0.137 0.000 1.126 238 L HN 0.376 nan 8.230 nan 0.000 0.460 239 P HA 0.185 nan 4.420 nan 0.000 0.281 239 P C 0.610 177.942 177.300 0.053 0.000 1.249 239 P CA -0.586 62.547 63.100 0.055 0.000 0.810 239 P CB 1.402 33.125 31.700 0.039 0.000 1.008 240 L N 0.266 121.520 121.223 0.051 0.000 2.187 240 L HA 0.042 4.382 4.340 -0.000 0.000 0.213 240 L C 1.432 178.331 176.870 0.048 0.000 1.100 240 L CA 1.660 56.530 54.840 0.049 0.000 0.765 240 L CB -0.749 41.337 42.059 0.045 0.000 0.904 240 L HN 0.661 nan 8.230 nan 0.000 0.437 241 G N -1.167 107.663 108.800 0.050 0.000 2.451 241 G HA2 0.456 4.416 3.960 -0.000 0.000 0.292 241 G HA3 0.456 4.416 3.960 -0.000 0.000 0.292 241 G C -1.965 172.979 174.900 0.073 0.000 1.427 241 G CA -0.683 44.454 45.100 0.060 0.000 0.792 241 G HN -0.137 nan 8.290 nan 0.000 0.498 242 L N 0.654 121.944 121.223 0.111 0.000 2.372 242 L HA 0.592 4.932 4.340 -0.000 0.000 0.274 242 L C -0.879 176.211 176.870 0.368 0.000 0.988 242 L CA -0.859 54.093 54.840 0.186 0.000 0.833 242 L CB 1.643 43.758 42.059 0.093 0.000 1.236 242 L HN 0.585 nan 8.230 nan 0.000 0.410 243 L N 3.343 124.745 121.223 0.299 0.000 2.342 243 L HA 0.788 5.128 4.340 -0.000 0.000 0.271 243 L C -2.588 174.239 176.870 -0.072 0.000 1.008 243 L CA -2.212 52.740 54.840 0.186 0.000 0.818 243 L CB 0.657 42.759 42.059 0.073 0.000 1.296 243 L HN 0.238 nan 8.230 nan 0.000 0.427 244 P HA 0.116 nan 4.420 nan 0.000 0.276 244 P C 0.122 177.193 177.300 -0.382 0.000 1.230 244 P CA -0.173 62.420 63.100 -0.845 0.000 0.776 244 P CB 1.197 32.385 31.700 -0.854 0.000 0.888 245 T N -1.220 113.135 114.554 -0.331 0.000 3.022 245 T HA 0.151 4.501 4.350 -0.000 0.000 0.250 245 T C 0.793 175.405 174.700 -0.146 0.000 1.060 245 T CA 0.185 62.182 62.100 -0.172 0.000 1.013 245 T CB -0.191 68.609 68.868 -0.113 0.000 0.982 245 T HN 0.569 nan 8.240 nan 0.000 0.508 246 S N -0.527 115.062 115.700 -0.184 0.000 2.685 246 S HA 0.512 4.982 4.470 -0.000 0.000 0.282 246 S C -0.089 174.445 174.600 -0.110 0.000 1.159 246 S CA -0.581 57.548 58.200 -0.119 0.000 0.833 246 S CB 1.597 64.742 63.200 -0.092 0.000 1.151 246 S HN -0.111 nan 8.310 nan 0.000 0.485 247 D N 0.611 120.978 120.400 -0.055 0.000 2.269 247 D HA 0.010 4.649 4.640 -0.000 0.000 0.208 247 D C 0.491 176.802 176.300 0.017 0.000 0.963 247 D CA 1.343 55.331 54.000 -0.020 0.000 0.864 247 D CB -0.110 40.689 40.800 -0.002 0.000 0.936 247 D HN 0.713 nan 8.370 nan 0.000 0.505 248 D N -0.423 119.993 120.400 0.026 0.000 2.587 248 D HA -0.031 4.609 4.640 -0.000 0.000 0.233 248 D C 1.644 178.064 176.300 0.200 0.000 1.213 248 D CA -0.214 53.851 54.000 0.108 0.000 0.827 248 D CB -1.341 39.507 40.800 0.081 0.000 1.006 248 D HN 0.245 nan 8.370 nan 0.000 0.490 249 C N -0.735 118.629 119.300 0.105 0.000 2.430 249 C HA 0.274 4.734 4.460 -0.000 0.000 0.288 249 C C 0.820 176.135 174.990 0.542 0.000 1.448 249 C CA -0.537 58.568 59.018 0.144 0.000 1.784 249 C CB -1.394 26.066 27.740 -0.467 0.000 1.776 249 C HN 0.348 nan 8.230 nan 0.000 0.547 250 I N 0.819 121.632 120.570 0.405 0.000 2.582 250 I HA 0.573 4.743 4.170 -0.000 0.000 0.292 250 I C -0.094 176.175 176.117 0.254 0.000 1.066 250 I CA -0.513 60.963 61.300 0.294 0.000 1.053 250 I CB 1.808 39.958 38.000 0.249 0.000 1.241 250 I HN 0.116 nan 8.210 nan 0.000 0.421 251 A N 6.158 129.035 122.820 0.096 0.000 2.271 251 A HA 0.711 5.031 4.320 -0.000 0.000 0.317 251 A C -0.629 177.008 177.584 0.088 0.000 1.245 251 A CA -0.474 51.673 52.037 0.184 0.000 0.857 251 A CB 0.904 20.063 19.000 0.264 0.000 1.175 251 A HN 0.436 nan 8.150 nan 0.000 0.512 252 V N 3.826 123.818 119.914 0.130 0.000 2.383 252 V HA 0.323 4.443 4.120 -0.000 0.000 0.275 252 V C -0.117 176.041 176.094 0.107 0.000 1.036 252 V CA -0.371 62.000 62.300 0.120 0.000 0.889 252 V CB 1.251 33.155 31.823 0.136 0.000 0.985 252 V HN 0.597 nan 8.190 nan 0.000 0.459 253 V N 5.607 125.589 119.914 0.113 0.000 2.370 253 V HA 0.448 4.568 4.120 -0.000 0.000 0.283 253 V C 0.495 176.580 176.094 -0.016 0.000 1.023 253 V CA -0.386 61.968 62.300 0.090 0.000 0.857 253 V CB 1.312 33.250 31.823 0.191 0.000 0.985 253 V HN 1.066 nan 8.190 nan 0.000 0.443 254 E N 1.705 121.820 120.200 -0.142 0.000 3.191 254 E HA 0.255 4.605 4.350 -0.000 0.000 0.192 254 E C -0.869 175.406 176.600 -0.542 0.000 0.972 254 E CA -0.678 55.429 56.400 -0.489 0.000 1.266 254 E CB 0.509 29.921 29.700 -0.480 0.000 1.076 254 E HN 0.582 nan 8.360 nan 0.000 0.462 255 D N 2.510 122.731 120.400 -0.297 0.000 2.360 255 D HA -0.043 4.597 4.640 -0.000 0.000 0.242 255 D C 1.046 177.160 176.300 -0.310 0.000 1.184 255 D CA 0.007 53.871 54.000 -0.227 0.000 0.930 255 D CB 1.004 41.729 40.800 -0.126 0.000 1.161 255 D HN 0.191 nan 8.370 nan 0.000 0.447 256 D N -0.393 119.886 120.400 -0.201 0.000 2.123 256 D HA -0.186 4.454 4.640 -0.000 0.000 0.200 256 D C 0.445 176.592 176.300 -0.255 0.000 0.976 256 D CA 0.695 54.588 54.000 -0.180 0.000 0.831 256 D CB -0.092 40.685 40.800 -0.038 0.000 0.974 256 D HN 0.278 nan 8.370 nan 0.000 0.469 257 D N 0.702 120.993 120.400 -0.181 0.000 2.563 257 D HA 0.409 5.049 4.640 -0.000 0.000 0.222 257 D C 0.076 176.225 176.300 -0.251 0.000 1.145 257 D CA 0.125 54.026 54.000 -0.166 0.000 1.001 257 D CB 0.067 40.871 40.800 0.007 0.000 1.049 257 D HN 0.331 nan 8.370 nan 0.000 0.515 258 G N 2.441 110.866 108.800 -0.625 0.000 2.337 258 G HA2 0.110 4.070 3.960 -0.000 0.000 0.298 258 G HA3 0.110 4.070 3.960 -0.000 0.000 0.298 258 G C -3.200 171.483 174.900 -0.361 0.000 1.335 258 G CA -0.969 43.935 45.100 -0.328 0.000 0.875 258 G HN 0.071 nan 8.290 nan 0.000 0.579 259 P HA 0.319 nan 4.420 nan 0.000 0.271 259 P C -0.794 176.385 177.300 -0.202 0.000 1.218 259 P CA -0.138 62.804 63.100 -0.263 0.000 0.780 259 P CB 0.575 31.954 31.700 -0.535 0.000 0.901 260 K N 2.410 122.705 120.400 -0.176 0.000 2.316 260 K HA 0.688 5.007 4.320 -0.000 0.000 0.267 260 K C 0.402 177.000 176.600 -0.005 0.000 1.025 260 K CA -0.221 55.972 56.287 -0.156 0.000 0.896 260 K CB 1.295 33.676 32.500 -0.198 0.000 1.124 260 K HN 0.760 nan 8.250 nan 0.000 0.451 261 G N 1.606 110.478 108.800 0.119 0.000 2.510 261 G HA2 0.522 4.482 3.960 -0.000 0.000 0.277 261 G HA3 0.522 4.482 3.960 -0.000 0.000 0.277 261 G C -1.416 173.645 174.900 0.269 0.000 1.223 261 G CA -0.757 44.468 45.100 0.209 0.000 0.887 261 G HN 0.452 nan 8.290 nan 0.000 0.485 262 M N -1.591 118.133 119.600 0.208 0.000 2.531 262 M HA 0.884 5.364 4.480 -0.000 0.000 0.286 262 M C -1.374 174.878 176.300 -0.080 0.000 1.232 262 M CA -1.073 54.267 55.300 0.067 0.000 0.877 262 M CB 2.575 35.204 32.600 0.049 0.000 1.726 262 M HN 0.593 nan 8.290 nan 0.000 0.463 263 M N 2.672 122.089 119.600 -0.305 0.000 2.190 263 M HA 0.434 4.914 4.480 -0.000 0.000 0.312 263 M C -1.584 174.407 176.300 -0.516 0.000 0.990 263 M CA -0.044 54.914 55.300 -0.571 0.000 0.927 263 M CB 2.128 34.007 32.600 -1.202 0.000 1.571 263 M HN 0.771 nan 8.290 nan 0.000 0.427 264 Q N 4.003 123.609 119.800 -0.324 0.000 2.296 264 Q HA 0.200 4.540 4.340 -0.000 0.000 0.257 264 Q C -1.085 174.855 176.000 -0.100 0.000 0.942 264 Q CA 0.058 55.785 55.803 -0.126 0.000 0.939 264 Q CB 0.737 29.400 28.738 -0.124 0.000 1.198 264 Q HN 0.797 nan 8.270 nan 0.000 0.429 265 W N 4.390 125.872 121.300 0.302 0.000 1.224 265 W HA 0.142 4.802 4.660 -0.000 0.000 0.503 265 W C -0.204 176.486 176.519 0.285 0.000 0.592 265 W CA -0.459 57.062 57.345 0.294 0.000 2.414 265 W CB -0.307 29.333 29.460 0.300 0.000 1.352 265 W HN 0.365 nan 8.180 nan 0.000 0.226 266 L N 1.552 122.907 121.223 0.220 0.000 2.467 266 L HA 0.105 4.445 4.340 -0.000 0.000 0.270 266 L C 0.639 177.699 176.870 0.317 0.000 1.205 266 L CA -0.515 54.326 54.840 0.002 0.000 0.828 266 L CB -0.063 41.874 42.059 -0.204 0.000 1.101 266 L HN 0.262 nan 8.230 nan 0.000 0.479 267 F N -0.303 119.710 119.950 0.105 0.000 3.071 267 F HA -0.238 4.289 4.527 -0.000 0.000 0.295 267 F C 0.600 176.479 175.800 0.131 0.000 0.919 267 F CA 0.883 58.958 58.000 0.124 0.000 1.050 267 F CB -1.995 37.091 39.000 0.143 0.000 1.040 267 F HN 0.753 nan 8.300 nan 0.000 0.692 268 T N -5.649 109.052 114.554 0.246 0.000 2.778 268 T HA 0.415 4.764 4.350 -0.000 0.000 0.293 268 T C 0.685 175.466 174.700 0.136 0.000 1.144 268 T CA -0.438 61.767 62.100 0.176 0.000 1.010 268 T CB 1.906 70.886 68.868 0.187 0.000 1.325 268 T HN -0.161 nan 8.240 nan 0.000 0.515 269 D N 0.220 120.658 120.400 0.064 0.000 2.221 269 D HA -0.045 4.595 4.640 -0.000 0.000 0.204 269 D C 1.653 177.967 176.300 0.022 0.000 0.982 269 D CA 1.051 55.069 54.000 0.030 0.000 0.857 269 D CB 0.017 40.808 40.800 -0.015 0.000 0.934 269 D HN 0.562 nan 8.370 nan 0.000 0.475 270 K N -0.919 119.507 120.400 0.043 0.000 2.515 270 K HA -0.080 4.240 4.320 -0.000 0.000 0.196 270 K C -0.028 176.445 176.600 -0.212 0.000 1.038 270 K CA 0.411 56.666 56.287 -0.054 0.000 0.967 270 K CB 0.136 32.654 32.500 0.029 0.000 0.780 270 K HN 0.182 nan 8.250 nan 0.000 0.483 271 W N 0.588 121.900 121.300 0.019 0.000 2.687 271 W HA 0.385 5.045 4.660 -0.000 0.000 0.328 271 W C -1.042 175.444 176.519 -0.054 0.000 1.012 271 W CA -0.699 56.636 57.345 -0.017 0.000 1.262 271 W CB 1.328 30.760 29.460 -0.047 0.000 1.331 271 W HN -0.168 nan 8.180 nan 0.000 0.433 272 A N 5.801 128.707 122.820 0.143 0.000 2.305 272 A HA 0.809 5.129 4.320 -0.000 0.000 0.322 272 A C -2.382 175.251 177.584 0.083 0.000 1.187 272 A CA -1.660 50.425 52.037 0.080 0.000 0.825 272 A CB 0.685 19.708 19.000 0.039 0.000 1.164 272 A HN 0.298 nan 8.150 nan 0.000 0.498 273 P HA 0.278 nan 4.420 nan 0.000 0.278 273 P C -0.659 176.669 177.300 0.046 0.000 1.238 273 P CA -0.115 63.009 63.100 0.039 0.000 0.794 273 P CB 1.263 32.973 31.700 0.017 0.000 0.955 274 V N 4.611 124.555 119.914 0.050 0.000 2.364 274 V HA 0.069 4.189 4.120 -0.000 0.000 0.272 274 V C 1.352 177.472 176.094 0.043 0.000 1.036 274 V CA -0.030 62.298 62.300 0.046 0.000 0.880 274 V CB 0.743 32.596 31.823 0.049 0.000 0.991 274 V HN 0.419 nan 8.190 nan 0.000 0.460 275 L N 4.265 125.512 121.223 0.040 0.000 2.616 275 L HA 0.338 4.678 4.340 -0.000 0.000 0.229 275 L C 0.840 177.733 176.870 0.038 0.000 1.110 275 L CA 0.610 55.475 54.840 0.041 0.000 0.884 275 L CB -0.173 41.910 42.059 0.041 0.000 1.115 275 L HN 0.895 nan 8.230 nan 0.000 0.481 276 E N -1.818 118.402 120.200 0.034 0.000 2.423 276 E HA 0.396 4.746 4.350 -0.000 0.000 0.280 276 E C -1.149 175.468 176.600 0.028 0.000 1.030 276 E CA -0.891 55.528 56.400 0.031 0.000 0.812 276 E CB 1.314 31.031 29.700 0.027 0.000 1.313 276 E HN -0.055 nan 8.360 nan 0.000 0.456 277 N N 0.531 119.246 118.700 0.025 0.000 2.576 277 N HA 0.091 4.831 4.740 -0.000 0.000 0.269 277 N C 0.183 175.704 175.510 0.018 0.000 1.058 277 N CA -0.181 52.882 53.050 0.022 0.000 0.860 277 N CB 1.265 39.765 38.487 0.022 0.000 1.249 277 N HN 0.500 nan 8.380 nan 0.000 0.525 278 Q N 0.782 120.592 119.800 0.017 0.000 2.124 278 Q HA -0.222 4.118 4.340 -0.000 0.000 0.202 278 Q C 0.895 176.903 176.000 0.012 0.000 0.977 278 Q CA 1.311 57.122 55.803 0.014 0.000 0.850 278 Q CB 0.096 28.842 28.738 0.013 0.000 0.901 278 Q HN 0.659 nan 8.270 nan 0.000 0.429 279 E N 1.159 121.366 120.200 0.012 0.000 2.077 279 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 279 E C 1.642 178.247 176.600 0.009 0.000 0.989 279 E CA 0.975 57.381 56.400 0.010 0.000 0.800 279 E CB -0.037 29.668 29.700 0.009 0.000 0.746 279 E HN 0.300 nan 8.360 nan 0.000 0.452 280 L N -1.309 119.921 121.223 0.011 0.000 2.529 280 L HA 0.280 4.620 4.340 -0.000 0.000 0.223 280 L C 1.292 178.170 176.870 0.012 0.000 1.113 280 L CA 0.301 55.148 54.840 0.011 0.000 0.861 280 L CB 0.011 42.077 42.059 0.012 0.000 1.012 280 L HN 0.407 nan 8.230 nan 0.000 0.461 281 G N 1.120 109.928 108.800 0.014 0.000 2.160 281 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.244 281 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.244 281 G C 0.020 174.931 174.900 0.018 0.000 1.022 281 G CA -0.100 45.009 45.100 0.014 0.000 0.741 281 G HN 0.217 nan 8.290 nan 0.000 0.508 282 L N -0.234 121.001 121.223 0.020 0.000 2.360 282 L HA 0.829 5.169 4.340 -0.000 0.000 0.271 282 L C 0.503 177.389 176.870 0.027 0.000 1.057 282 L CA -0.706 54.149 54.840 0.025 0.000 0.803 282 L CB 1.841 43.916 42.059 0.027 0.000 1.207 282 L HN 0.320 nan 8.230 nan 0.000 0.445 283 K N 1.659 122.077 120.400 0.031 0.000 2.583 283 K HA 0.459 4.779 4.320 -0.000 0.000 0.260 283 K C -2.312 174.311 176.600 0.039 0.000 0.931 283 K CA -0.574 55.733 56.287 0.033 0.000 0.849 283 K CB 2.057 34.574 32.500 0.029 0.000 1.347 283 K HN 0.357 nan 8.250 nan 0.000 0.425 284 V N 3.744 123.685 119.914 0.044 0.000 2.581 284 V HA 0.346 4.466 4.120 -0.000 0.000 0.303 284 V C 0.712 176.836 176.094 0.049 0.000 1.041 284 V CA -0.262 62.069 62.300 0.051 0.000 0.907 284 V CB 1.488 33.346 31.823 0.059 0.000 0.994 284 V HN 1.010 nan 8.190 nan 0.000 0.442 285 E N 3.016 123.248 120.200 0.052 0.000 3.249 285 E HA 0.199 4.549 4.350 -0.000 0.000 0.184 285 E C 1.367 178.000 176.600 0.056 0.000 1.163 285 E CA 0.318 56.748 56.400 0.049 0.000 1.353 285 E CB 0.089 29.814 29.700 0.042 0.000 1.466 285 E HN 0.695 nan 8.360 nan 0.000 0.502 286 G N 3.590 112.427 108.800 0.060 0.000 2.909 286 G HA2 0.199 4.159 3.960 -0.000 0.000 0.269 286 G HA3 0.199 4.159 3.960 -0.000 0.000 0.269 286 G C 0.099 175.046 174.900 0.079 0.000 0.726 286 G CA -0.301 44.839 45.100 0.066 0.000 2.082 286 G HN 0.223 nan 8.290 nan 0.000 0.588 287 L N 0.813 122.080 121.223 0.074 0.000 2.562 287 L HA 0.368 4.708 4.340 -0.000 0.000 0.271 287 L C 0.203 177.120 176.870 0.079 0.000 1.167 287 L CA 0.084 54.971 54.840 0.079 0.000 0.917 287 L CB 0.293 42.395 42.059 0.071 0.000 1.187 287 L HN 0.207 nan 8.230 nan 0.000 0.482 288 K N 3.989 124.444 120.400 0.090 0.000 2.469 288 K HA 0.828 5.148 4.320 -0.000 0.000 0.254 288 K C -0.562 176.041 176.600 0.006 0.000 0.939 288 K CA -0.164 56.173 56.287 0.084 0.000 0.812 288 K CB 2.068 34.660 32.500 0.154 0.000 1.301 288 K HN 0.799 nan 8.250 nan 0.000 0.433 289 G N 2.040 110.746 108.800 -0.156 0.000 2.441 289 G HA2 0.260 4.220 3.960 -0.000 0.000 0.225 289 G HA3 0.260 4.220 3.960 -0.000 0.000 0.225 289 G C -1.793 172.776 174.900 -0.552 0.000 1.200 289 G CA -0.832 43.874 45.100 -0.656 0.000 0.947 289 G HN 0.705 nan 8.290 nan 0.000 0.484 290 R N -0.739 119.420 120.500 -0.569 0.000 2.855 290 R HA 0.685 5.025 4.340 -0.000 0.000 0.266 290 R C -1.310 174.743 176.300 -0.411 0.000 1.034 290 R CA -1.006 54.840 56.100 -0.424 0.000 0.944 290 R CB 1.307 31.440 30.300 -0.279 0.000 1.219 290 R HN 0.497 nan 8.270 nan 0.000 0.474 291 H N 0.972 119.803 119.070 -0.397 0.000 2.580 291 H HA 0.327 4.883 4.556 -0.000 0.000 0.322 291 H C -0.735 174.155 175.328 -0.729 0.000 1.082 291 H CA -0.095 55.401 56.048 -0.920 0.000 1.383 291 H CB 0.939 30.390 29.762 -0.519 0.000 1.450 291 H HN 0.664 nan 8.280 nan 0.000 0.505 292 Y N -0.154 119.662 120.300 -0.808 0.000 2.689 292 Y HA 0.604 5.154 4.550 -0.000 0.000 0.333 292 Y C -1.156 174.419 175.900 -0.541 0.000 1.208 292 Y CA -1.362 56.295 58.100 -0.738 0.000 1.055 292 Y CB 1.714 40.001 38.460 -0.289 0.000 1.304 292 Y HN 0.514 nan 8.280 nan 0.000 0.455 293 R N 1.087 121.364 120.500 -0.372 0.000 2.548 293 R HA 0.635 4.975 4.340 -0.000 0.000 0.280 293 R C -1.665 174.598 176.300 -0.062 0.000 1.061 293 R CA -0.431 55.593 56.100 -0.128 0.000 0.915 293 R CB 2.048 32.387 30.300 0.066 0.000 1.210 293 R HN 1.056 nan 8.270 nan 0.000 0.442 294 T N 0.172 114.699 114.554 -0.046 0.000 2.895 294 T HA 0.741 5.091 4.350 -0.000 0.000 0.283 294 T C -0.320 174.312 174.700 -0.113 0.000 1.014 294 T CA -0.646 61.413 62.100 -0.068 0.000 1.037 294 T CB 1.674 70.524 68.868 -0.030 0.000 1.006 294 T HN 0.615 nan 8.240 nan 0.000 0.468 295 S N 0.164 115.790 115.700 -0.123 0.000 2.596 295 S HA 0.781 5.251 4.470 -0.000 0.000 0.270 295 S C -1.354 173.109 174.600 -0.228 0.000 1.155 295 S CA -0.872 57.232 58.200 -0.159 0.000 0.827 295 S CB 1.714 64.879 63.200 -0.059 0.000 1.130 295 S HN 1.315 nan 8.310 nan 0.000 0.467 296 V N 1.209 120.940 119.914 -0.304 0.000 2.851 296 V HA 0.862 4.982 4.120 -0.000 0.000 0.307 296 V C -1.096 174.855 176.094 -0.238 0.000 1.129 296 V CA -0.090 61.959 62.300 -0.418 0.000 0.932 296 V CB 1.682 32.947 31.823 -0.931 0.000 1.024 296 V HN 1.732 nan 8.190 nan 0.000 0.426 297 V N 4.157 123.946 119.914 -0.208 0.000 3.040 297 V HA 0.689 4.809 4.120 -0.000 0.000 0.312 297 V C -0.399 175.772 176.094 0.127 0.000 1.115 297 V CA -1.093 61.167 62.300 -0.067 0.000 0.998 297 V CB 1.918 33.539 31.823 -0.337 0.000 1.042 297 V HN 0.885 nan 8.190 nan 0.000 0.433 298 L N 3.416 124.788 121.223 0.248 0.000 2.483 298 L HA 0.304 4.644 4.340 -0.000 0.000 0.276 298 L C -1.197 175.733 176.870 0.100 0.000 1.213 298 L CA -0.992 54.000 54.840 0.254 0.000 0.843 298 L CB 1.201 43.347 42.059 0.145 0.000 1.107 298 L HN 0.625 nan 8.230 nan 0.000 0.487 299 P HA 0.074 nan 4.420 nan 0.000 0.255 299 P C 0.338 177.894 177.300 0.426 0.000 1.301 299 P CA 0.510 63.584 63.100 -0.044 0.000 0.817 299 P CB 0.501 31.917 31.700 -0.473 0.000 1.259 300 G N -0.828 108.214 108.800 0.404 0.000 2.511 300 G HA2 0.011 3.971 3.960 -0.000 0.000 0.230 300 G HA3 0.011 3.971 3.960 -0.000 0.000 0.230 300 G C -0.834 174.156 174.900 0.149 0.000 1.264 300 G CA -0.712 44.600 45.100 0.353 0.000 0.866 300 G HN 0.086 nan 8.290 nan 0.000 0.523 301 V N 0.999 120.843 119.914 -0.117 0.000 2.417 301 V HA 0.752 4.872 4.120 -0.000 0.000 0.291 301 V C 0.375 176.287 176.094 -0.303 0.000 1.024 301 V CA -1.048 61.015 62.300 -0.395 0.000 0.861 301 V CB 1.687 33.142 31.823 -0.613 0.000 0.985 301 V HN 0.614 nan 8.190 nan 0.000 0.436 302 L N 5.391 126.487 121.223 -0.212 0.000 2.334 302 L HA 0.738 5.078 4.340 -0.000 0.000 0.277 302 L C -0.343 176.482 176.870 -0.075 0.000 1.075 302 L CA -0.045 54.741 54.840 -0.091 0.000 0.804 302 L CB 1.326 43.441 42.059 0.094 0.000 1.174 302 L HN 0.834 nan 8.230 nan 0.000 0.438 303 M N 5.365 124.929 119.600 -0.059 0.000 2.259 303 M HA 0.578 5.058 4.480 -0.000 0.000 0.304 303 M C -1.824 174.388 176.300 -0.148 0.000 1.019 303 M CA -0.630 54.629 55.300 -0.068 0.000 0.922 303 M CB 1.728 34.387 32.600 0.097 0.000 1.600 303 M HN 0.359 nan 8.290 nan 0.000 0.433 304 V N 4.531 124.295 119.914 -0.250 0.000 2.305 304 V HA 0.325 4.445 4.120 -0.000 0.000 0.275 304 V C -0.379 175.570 176.094 -0.241 0.000 1.020 304 V CA -0.702 61.462 62.300 -0.227 0.000 0.811 304 V CB 0.841 32.482 31.823 -0.304 0.000 1.031 304 V HN 0.887 nan 8.190 nan 0.000 0.439 305 E N 2.873 122.914 120.200 -0.265 0.000 2.398 305 E HA 0.123 4.473 4.350 -0.000 0.000 0.263 305 E C 0.655 176.942 176.600 -0.521 0.000 1.046 305 E CA -0.022 56.148 56.400 -0.383 0.000 0.908 305 E CB 0.127 29.573 29.700 -0.424 0.000 0.963 305 E HN 0.660 nan 8.360 nan 0.000 0.431 306 N N 1.127 119.547 118.700 -0.467 0.000 2.735 306 N HA -0.175 4.565 4.740 -0.000 0.000 0.248 306 N C -1.913 173.491 175.510 -0.177 0.000 1.083 306 N CA 0.679 53.489 53.050 -0.399 0.000 0.703 306 N CB -0.450 37.613 38.487 -0.706 0.000 1.005 306 N HN 0.562 nan 8.380 nan 0.000 0.550 307 W N 0.128 121.224 121.300 -0.340 0.000 2.957 307 W HA 0.427 5.087 4.660 -0.000 0.000 0.336 307 W C -2.382 173.955 176.519 -0.303 0.000 1.087 307 W CA -1.674 55.484 57.345 -0.311 0.000 1.235 307 W CB 1.690 30.940 29.460 -0.350 0.000 1.399 307 W HN -0.086 nan 8.180 nan 0.000 0.480 308 P HA 0.060 nan 4.420 nan 0.000 0.245 308 P C -0.347 176.588 177.300 -0.608 0.000 1.206 308 P CA 1.124 63.501 63.100 -1.205 0.000 0.781 308 P CB 1.272 32.337 31.700 -1.059 0.000 0.994 309 E N -0.505 119.484 120.200 -0.352 0.000 2.446 309 E HA 0.266 4.616 4.350 -0.000 0.000 0.276 309 E C -0.671 175.852 176.600 -0.128 0.000 0.969 309 E CA -0.953 55.353 56.400 -0.157 0.000 0.800 309 E CB 1.581 31.285 29.700 0.005 0.000 1.341 309 E HN -0.026 nan 8.360 nan 0.000 0.460 310 E N 0.442 120.585 120.200 -0.095 0.000 2.442 310 E HA -0.036 4.314 4.350 -0.000 0.000 0.262 310 E C -0.512 176.004 176.600 -0.140 0.000 1.004 310 E CA 0.839 57.124 56.400 -0.192 0.000 0.928 310 E CB 0.084 29.633 29.700 -0.252 0.000 0.937 310 E HN 0.591 nan 8.360 nan 0.000 0.446 311 H N -2.003 117.052 119.070 -0.024 0.000 3.641 311 H HA -0.177 4.379 4.556 -0.000 0.000 0.193 311 H C -0.609 174.660 175.328 -0.098 0.000 1.013 311 H CA 0.598 56.621 56.048 -0.041 0.000 1.212 311 H CB -1.158 28.585 29.762 -0.032 0.000 1.089 311 H HN 0.135 nan 8.280 nan 0.000 0.339 312 V N 0.623 120.505 119.914 -0.053 0.000 2.667 312 V HA 0.656 4.776 4.120 -0.000 0.000 0.308 312 V C -0.109 175.901 176.094 -0.140 0.000 1.048 312 V CA -0.327 61.902 62.300 -0.118 0.000 0.928 312 V CB 2.136 33.851 31.823 -0.180 0.000 1.004 312 V HN 0.074 nan 8.190 nan 0.000 0.444 313 V N 3.740 123.570 119.914 -0.140 0.000 2.925 313 V HA 0.588 4.708 4.120 -0.000 0.000 0.311 313 V C -0.949 174.980 176.094 -0.275 0.000 1.104 313 V CA -0.373 61.781 62.300 -0.244 0.000 0.954 313 V CB 2.117 33.732 31.823 -0.345 0.000 1.022 313 V HN 1.023 nan 8.190 nan 0.000 0.427 314 Q N 3.876 123.499 119.800 -0.295 0.000 2.322 314 Q HA 0.548 4.888 4.340 -0.000 0.000 0.265 314 Q C -2.069 173.713 176.000 -0.364 0.000 0.985 314 Q CA -0.524 55.174 55.803 -0.176 0.000 0.849 314 Q CB 1.747 30.508 28.738 0.037 0.000 1.274 314 Q HN 0.790 nan 8.270 nan 0.000 0.449 315 Y N 1.508 121.828 120.300 0.034 0.000 2.429 315 Y HA 0.459 5.009 4.550 -0.000 0.000 0.342 315 Y C -0.174 175.663 175.900 -0.104 0.000 1.004 315 Y CA -0.766 57.255 58.100 -0.133 0.000 1.075 315 Y CB 2.128 40.473 38.460 -0.192 0.000 1.214 315 Y HN 0.544 nan 8.280 nan 0.000 0.455 316 E N 2.207 122.326 120.200 -0.134 0.000 2.367 316 E HA 0.351 4.701 4.350 -0.000 0.000 0.273 316 E C -1.545 174.820 176.600 -0.392 0.000 0.903 316 E CA -0.903 55.447 56.400 -0.084 0.000 0.764 316 E CB 2.634 32.352 29.700 0.030 0.000 1.252 316 E HN 0.497 nan 8.360 nan 0.000 0.446 317 W N 1.039 122.154 121.300 -0.308 0.000 3.033 317 W HA 0.347 5.007 4.660 -0.000 0.000 0.336 317 W C -1.077 175.185 176.519 -0.428 0.000 1.173 317 W CA -0.608 56.562 57.345 -0.292 0.000 1.185 317 W CB 1.621 30.945 29.460 -0.226 0.000 1.425 317 W HN 0.606 nan 8.180 nan 0.000 0.536 318 Y N 0.919 121.558 120.300 0.565 0.000 2.584 318 Y HA 0.274 4.824 4.550 -0.000 0.000 0.358 318 Y C 0.273 176.417 175.900 0.406 0.000 1.028 318 Y CA -0.731 57.671 58.100 0.504 0.000 1.148 318 Y CB 0.165 38.839 38.460 0.357 0.000 1.126 318 Y HN -0.141 nan 8.280 nan 0.000 0.658 319 V N 3.860 124.009 119.914 0.391 0.000 2.479 319 V HA 0.130 4.249 4.120 -0.000 0.000 0.281 319 V C -2.138 173.951 176.094 -0.008 0.000 1.031 319 V CA -1.766 60.592 62.300 0.097 0.000 1.038 319 V CB 0.453 32.271 31.823 -0.008 0.000 0.981 319 V HN 0.332 nan 8.190 nan 0.000 0.478 320 P HA 0.290 nan 4.420 nan 0.000 0.271 320 P C 0.459 177.676 177.300 -0.138 0.000 1.216 320 P CA 0.109 63.092 63.100 -0.195 0.000 0.771 320 P CB 0.945 32.344 31.700 -0.501 0.000 0.864 321 I N 0.485 121.036 120.570 -0.031 0.000 3.132 321 I HA 0.063 4.233 4.170 -0.000 0.000 0.255 321 I C 1.279 177.404 176.117 0.013 0.000 1.118 321 I CA 0.901 62.210 61.300 0.014 0.000 1.463 321 I CB -0.046 37.988 38.000 0.056 0.000 1.356 321 I HN 0.397 nan 8.210 nan 0.000 0.463 322 T N -2.684 111.809 114.554 -0.101 0.000 2.676 322 T HA 0.173 4.523 4.350 -0.000 0.000 0.269 322 T C 0.216 174.494 174.700 -0.703 0.000 0.952 322 T CA -0.283 61.579 62.100 -0.398 0.000 1.040 322 T CB 1.030 69.709 68.868 -0.315 0.000 1.352 322 T HN 0.209 nan 8.240 nan 0.000 0.554 323 D N -0.144 119.448 120.400 -1.348 0.000 2.349 323 D HA 0.027 4.667 4.640 -0.000 0.000 0.224 323 D C 0.550 176.718 176.300 -0.221 0.000 1.029 323 D CA 0.459 53.925 54.000 -0.890 0.000 0.879 323 D CB -0.250 39.812 40.800 -1.231 0.000 0.906 323 D HN 0.725 nan 8.370 nan 0.000 0.528 324 D N -0.507 119.784 120.400 -0.183 0.000 2.594 324 D HA 0.045 4.685 4.640 -0.000 0.000 0.256 324 D C -0.301 176.003 176.300 0.006 0.000 1.393 324 D CA -0.288 53.682 54.000 -0.049 0.000 0.797 324 D CB -0.210 40.464 40.800 -0.210 0.000 1.110 324 D HN 0.093 nan 8.370 nan 0.000 0.495 325 T N -2.062 112.499 114.554 0.011 0.000 2.923 325 T HA 0.618 4.968 4.350 -0.000 0.000 0.311 325 T C -0.771 173.974 174.700 0.075 0.000 1.183 325 T CA -0.804 61.299 62.100 0.006 0.000 1.020 325 T CB 2.498 71.339 68.868 -0.045 0.000 1.165 325 T HN 0.333 nan 8.240 nan 0.000 0.482 326 H N 0.258 119.294 119.070 -0.056 0.000 3.008 326 H HA 0.723 5.279 4.556 -0.000 0.000 0.354 326 H C -1.646 173.641 175.328 -0.068 0.000 1.252 326 H CA -0.791 55.255 56.048 -0.003 0.000 1.117 326 H CB 1.878 31.730 29.762 0.150 0.000 1.857 326 H HN 0.641 nan 8.280 nan 0.000 0.547 327 E N 1.287 121.458 120.200 -0.048 0.000 2.092 327 E HA 0.187 4.537 4.350 -0.000 0.000 0.271 327 E C -1.683 175.031 176.600 0.190 0.000 0.919 327 E CA -0.730 55.551 56.400 -0.198 0.000 0.760 327 E CB 0.309 29.656 29.700 -0.588 0.000 1.106 327 E HN 0.421 nan 8.360 nan 0.000 0.408 328 Y N 5.090 125.381 120.300 -0.015 0.000 2.404 328 Y HA 0.400 4.950 4.550 -0.000 0.000 0.344 328 Y C -1.381 174.569 175.900 0.085 0.000 0.995 328 Y CA -1.264 56.925 58.100 0.147 0.000 1.201 328 Y CB 0.218 38.763 38.460 0.141 0.000 1.151 328 Y HN 0.480 nan 8.280 nan 0.000 0.517 329 W N 5.285 126.515 121.300 -0.117 0.000 2.469 329 W HA 0.559 5.219 4.660 -0.000 0.000 0.320 329 W C -0.699 175.663 176.519 -0.262 0.000 1.086 329 W CA -0.651 56.613 57.345 -0.135 0.000 1.211 329 W CB 1.237 30.734 29.460 0.061 0.000 1.298 329 W HN 0.469 nan 8.180 nan 0.000 0.525 330 E N 4.232 124.443 120.200 0.018 0.000 2.283 330 E HA 0.435 4.785 4.350 -0.000 0.000 0.258 330 E C -0.813 175.948 176.600 0.270 0.000 0.893 330 E CA -0.680 55.742 56.400 0.037 0.000 0.798 330 E CB 1.605 31.211 29.700 -0.156 0.000 1.242 330 E HN 0.488 nan 8.360 nan 0.000 0.414 331 I N -0.287 120.504 120.570 0.368 0.000 2.828 331 I HA 0.594 4.764 4.170 -0.000 0.000 0.302 331 I C -1.320 174.985 176.117 0.313 0.000 1.101 331 I CA -1.206 60.333 61.300 0.398 0.000 1.031 331 I CB 1.687 40.025 38.000 0.563 0.000 1.231 331 I HN 0.336 nan 8.210 nan 0.000 0.427 332 L N 4.964 126.355 121.223 0.280 0.000 2.346 332 L HA 0.723 5.063 4.340 -0.000 0.000 0.276 332 L C -0.818 176.273 176.870 0.368 0.000 1.006 332 L CA -1.067 53.933 54.840 0.266 0.000 0.817 332 L CB 2.108 44.340 42.059 0.288 0.000 1.272 332 L HN 0.432 nan 8.230 nan 0.000 0.421 333 V N 3.077 123.159 119.914 0.280 0.000 2.604 333 V HA 0.633 4.753 4.120 -0.000 0.000 0.305 333 V C -0.448 175.658 176.094 0.020 0.000 1.043 333 V CA -0.705 61.747 62.300 0.253 0.000 0.888 333 V CB 2.186 34.206 31.823 0.328 0.000 0.995 333 V HN 0.772 nan 8.190 nan 0.000 0.429 334 R N 2.545 122.942 120.500 -0.171 0.000 2.535 334 R HA 0.622 4.961 4.340 -0.000 0.000 0.274 334 R C -1.886 174.270 176.300 -0.240 0.000 1.090 334 R CA -0.516 55.336 56.100 -0.415 0.000 0.930 334 R CB 2.244 31.853 30.300 -1.152 0.000 1.223 334 R HN 0.525 nan 8.270 nan 0.000 0.441 335 V N 4.193 124.036 119.914 -0.118 0.000 2.470 335 V HA 0.175 4.294 4.120 -0.000 0.000 0.276 335 V C -0.281 175.771 176.094 -0.070 0.000 1.040 335 V CA -0.123 62.147 62.300 -0.050 0.000 1.008 335 V CB 0.863 32.680 31.823 -0.009 0.000 0.990 335 V HN 0.734 nan 8.190 nan 0.000 0.477 336 C N 7.852 127.140 119.300 -0.020 0.000 2.362 336 C HA 0.355 4.815 4.460 -0.000 0.000 0.309 336 C C -0.948 174.057 174.990 0.026 0.000 1.110 336 C CA -0.895 58.130 59.018 0.011 0.000 1.485 336 C CB 0.844 28.632 27.740 0.080 0.000 1.949 336 C HN 0.701 nan 8.230 nan 0.000 0.419 337 P HA -0.060 nan 4.420 nan 0.000 0.217 337 P C 0.891 178.206 177.300 0.024 0.000 1.150 337 P CA 1.494 64.604 63.100 0.016 0.000 0.832 337 P CB 0.170 31.872 31.700 0.004 0.000 0.787 338 T N -4.938 109.633 114.554 0.029 0.000 2.927 338 T HA 0.325 4.675 4.350 -0.000 0.000 0.286 338 T C 0.520 175.248 174.700 0.047 0.000 1.040 338 T CA -0.645 61.475 62.100 0.033 0.000 1.010 338 T CB 1.064 69.947 68.868 0.025 0.000 1.177 338 T HN -0.307 nan 8.240 nan 0.000 0.546 339 D N -0.058 120.368 120.400 0.044 0.000 2.178 339 D HA -0.029 4.611 4.640 -0.000 0.000 0.202 339 D C 1.973 178.309 176.300 0.059 0.000 0.974 339 D CA 0.789 54.820 54.000 0.053 0.000 0.841 339 D CB 0.036 40.860 40.800 0.040 0.000 0.953 339 D HN 0.540 nan 8.370 nan 0.000 0.478 340 E N 0.663 120.891 120.200 0.047 0.000 2.110 340 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 340 E C 1.447 178.090 176.600 0.071 0.000 0.988 340 E CA 0.801 57.228 56.400 0.046 0.000 0.804 340 E CB -0.095 29.622 29.700 0.029 0.000 0.745 340 E HN 0.378 nan 8.360 nan 0.000 0.458 341 D N 0.136 120.580 120.400 0.074 0.000 2.117 341 D HA -0.119 4.521 4.640 -0.000 0.000 0.197 341 D C 2.048 178.453 176.300 0.175 0.000 0.987 341 D CA 0.718 54.777 54.000 0.098 0.000 0.829 341 D CB -0.176 40.658 40.800 0.058 0.000 0.961 341 D HN 0.144 nan 8.370 nan 0.000 0.460 342 R N 0.790 121.391 120.500 0.168 0.000 2.081 342 R HA -0.044 4.296 4.340 -0.000 0.000 0.235 342 R C 2.252 178.697 176.300 0.242 0.000 1.131 342 R CA 0.859 57.101 56.100 0.237 0.000 0.960 342 R CB -0.051 30.350 30.300 0.169 0.000 0.856 342 R HN 0.207 nan 8.270 nan 0.000 0.436 343 K N 0.718 121.214 120.400 0.160 0.000 2.097 343 K HA -0.100 4.220 4.320 -0.000 0.000 0.205 343 K C 2.031 178.732 176.600 0.168 0.000 1.050 343 K CA 1.106 57.472 56.287 0.131 0.000 0.938 343 K CB 0.018 32.558 32.500 0.067 0.000 0.718 343 K HN 0.144 nan 8.250 nan 0.000 0.442 344 K N 0.102 120.611 120.400 0.182 0.000 2.057 344 K HA -0.108 4.212 4.320 -0.000 0.000 0.206 344 K C 2.026 178.818 176.600 0.320 0.000 1.050 344 K CA 0.970 57.386 56.287 0.214 0.000 0.935 344 K CB -0.185 32.415 32.500 0.168 0.000 0.715 344 K HN 0.051 nan 8.250 nan 0.000 0.439 345 F N 2.816 122.871 119.950 0.174 0.000 2.146 345 F HA -0.183 4.344 4.527 -0.000 0.000 0.298 345 F C 2.535 178.459 175.800 0.207 0.000 1.096 345 F CA 1.510 59.650 58.000 0.233 0.000 1.275 345 F CB -0.565 38.596 39.000 0.267 0.000 1.008 345 F HN -0.025 nan 8.300 nan 0.000 0.480 346 Q N -0.572 119.271 119.800 0.070 0.000 2.084 346 Q HA -0.276 4.064 4.340 -0.000 0.000 0.202 346 Q C 2.175 178.095 176.000 -0.133 0.000 0.978 346 Q CA 2.207 57.859 55.803 -0.251 0.000 0.844 346 Q CB -1.096 27.613 28.738 -0.049 0.000 0.898 346 Q HN 0.548 nan 8.270 nan 0.000 0.426 347 Y N 0.397 120.653 120.300 -0.074 0.000 2.163 347 Y HA -0.124 4.426 4.550 -0.000 0.000 0.288 347 Y C 2.358 178.206 175.900 -0.085 0.000 1.136 347 Y CA 2.104 60.185 58.100 -0.030 0.000 1.147 347 Y CB -0.197 38.292 38.460 0.048 0.000 0.987 347 Y HN 0.110 nan 8.280 nan 0.000 0.509 348 R N -1.206 119.254 120.500 -0.066 0.000 2.148 348 R HA -0.212 4.127 4.340 -0.000 0.000 0.227 348 R C 2.106 178.042 176.300 -0.607 0.000 1.103 348 R CA 1.440 57.333 56.100 -0.346 0.000 0.983 348 R CB -0.598 29.526 30.300 -0.292 0.000 0.874 348 R HN 0.535 nan 8.270 nan 0.000 0.451 349 Y N 1.203 121.206 120.300 -0.494 0.000 2.153 349 Y HA -0.159 4.391 4.550 -0.000 0.000 0.289 349 Y C 1.602 177.255 175.900 -0.412 0.000 1.127 349 Y CA 1.794 59.674 58.100 -0.367 0.000 1.131 349 Y CB -0.212 37.934 38.460 -0.525 0.000 0.995 349 Y HN 0.064 nan 8.280 nan 0.000 0.505 350 D N -0.790 119.241 120.400 -0.616 0.000 2.123 350 D HA -0.184 4.456 4.640 -0.000 0.000 0.196 350 D C 1.478 177.203 176.300 -0.957 0.000 0.992 350 D CA 1.862 55.362 54.000 -0.832 0.000 0.833 350 D CB -0.310 39.942 40.800 -0.913 0.000 0.954 350 D HN 0.578 nan 8.370 nan 0.000 0.455 351 H N -1.892 116.873 119.070 -0.508 0.000 2.672 351 H HA 0.234 4.789 4.556 -0.000 0.000 0.277 351 H C 1.442 176.546 175.328 -0.373 0.000 1.074 351 H CA 0.017 55.800 56.048 -0.442 0.000 1.173 351 H CB 1.064 30.492 29.762 -0.556 0.000 1.558 351 H HN 0.090 nan 8.280 nan 0.000 0.539 352 M N -0.723 118.660 119.600 -0.361 0.000 2.331 352 M HA 0.018 4.498 4.480 -0.000 0.000 0.187 352 M C 1.162 177.345 176.300 -0.194 0.000 1.915 352 M CA 0.456 55.575 55.300 -0.301 0.000 1.082 352 M CB -0.494 31.845 32.600 -0.435 0.000 1.445 352 M HN -0.104 nan 8.290 nan 0.000 0.602 353 Y N 1.645 121.832 120.300 -0.188 0.000 2.097 353 Y HA -0.184 4.366 4.550 -0.000 0.000 0.282 353 Y C 2.552 178.316 175.900 -0.227 0.000 1.152 353 Y CA 2.031 60.043 58.100 -0.148 0.000 1.136 353 Y CB -1.440 37.025 38.460 0.008 0.000 0.975 353 Y HN 0.329 nan 8.280 nan 0.000 0.498 354 K N 0.219 120.381 120.400 -0.397 0.000 1.991 354 K HA -0.161 4.159 4.320 -0.000 0.000 0.212 354 K C -0.613 175.933 176.600 -0.090 0.000 1.049 354 K CA 1.879 57.906 56.287 -0.433 0.000 0.932 354 K CB -1.172 30.801 32.500 -0.879 0.000 0.717 354 K HN 0.210 nan 8.250 nan 0.000 0.441 355 P HA -0.148 nan 4.420 nan 0.000 0.216 355 P C 1.463 178.797 177.300 0.057 0.000 1.153 355 P CA 1.473 64.571 63.100 -0.004 0.000 0.844 355 P CB 0.012 31.665 31.700 -0.080 0.000 0.787 356 L N -1.626 119.612 121.223 0.025 0.000 2.307 356 L HA 0.012 4.352 4.340 -0.000 0.000 0.211 356 L C 2.602 179.556 176.870 0.141 0.000 1.099 356 L CA 0.912 55.786 54.840 0.056 0.000 0.816 356 L CB -0.480 41.570 42.059 -0.014 0.000 0.952 356 L HN 0.067 nan 8.230 nan 0.000 0.455 357 C N -1.023 118.367 119.300 0.150 0.000 2.654 357 C HA 0.104 4.564 4.460 -0.000 0.000 0.288 357 C C 2.433 177.602 174.990 0.298 0.000 1.578 357 C CA -0.425 58.736 59.018 0.238 0.000 1.941 357 C CB -0.466 27.361 27.740 0.146 0.000 1.856 357 C HN 0.291 nan 8.230 nan 0.000 0.706 358 L N 0.736 122.071 121.223 0.187 0.000 2.187 358 L HA -0.180 4.159 4.340 -0.000 0.000 0.213 358 L C 2.441 179.328 176.870 0.027 0.000 1.100 358 L CA 1.473 56.379 54.840 0.111 0.000 0.765 358 L CB -0.743 41.327 42.059 0.019 0.000 0.904 358 L HN 0.609 nan 8.230 nan 0.000 0.437 359 H N -1.112 118.051 119.070 0.155 0.000 2.348 359 H HA 0.130 4.686 4.556 -0.000 0.000 0.306 359 H C 2.134 177.568 175.328 0.176 0.000 1.034 359 H CA 1.028 57.159 56.048 0.138 0.000 1.395 359 H CB -0.430 29.371 29.762 0.065 0.000 1.495 359 H HN 0.139 nan 8.280 nan 0.000 0.616 360 G N 0.134 109.116 108.800 0.303 0.000 2.475 360 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.220 360 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.220 360 G C 1.518 176.607 174.900 0.315 0.000 1.125 360 G CA 1.009 46.255 45.100 0.244 0.000 0.755 360 G HN 0.318 nan 8.290 nan 0.000 0.565 361 F N 0.831 120.913 119.950 0.219 0.000 2.315 361 F HA 0.247 4.773 4.527 -0.000 0.000 0.284 361 F C 2.304 178.314 175.800 0.351 0.000 1.049 361 F CA 0.808 58.970 58.000 0.270 0.000 1.323 361 F CB -0.072 39.078 39.000 0.250 0.000 1.113 361 F HN 0.107 nan 8.300 nan 0.000 0.544 362 N N 0.219 119.185 118.700 0.443 0.000 2.396 362 N HA -0.136 4.603 4.740 -0.000 0.000 0.180 362 N C 0.973 176.652 175.510 0.282 0.000 1.028 362 N CA 0.902 54.169 53.050 0.363 0.000 0.893 362 N CB -0.116 38.631 38.487 0.433 0.000 0.967 362 N HN 0.178 nan 8.380 nan 0.000 0.440 363 D N 0.037 120.602 120.400 0.276 0.000 2.182 363 D HA -0.083 4.557 4.640 -0.000 0.000 0.201 363 D C 1.652 178.100 176.300 0.247 0.000 0.986 363 D CA 0.899 55.053 54.000 0.257 0.000 0.847 363 D CB -0.180 40.809 40.800 0.314 0.000 0.942 363 D HN 0.103 nan 8.370 nan 0.000 0.467 364 S N 0.382 116.205 115.700 0.205 0.000 2.399 364 S HA -0.128 4.341 4.470 -0.000 0.000 0.231 364 S C 1.391 176.024 174.600 0.054 0.000 1.022 364 S CA 0.765 59.047 58.200 0.137 0.000 0.983 364 S CB -0.060 63.065 63.200 -0.126 0.000 0.803 364 S HN 0.268 nan 8.310 nan 0.000 0.480 365 D N 1.093 121.503 120.400 0.017 0.000 2.178 365 D HA -0.033 4.607 4.640 -0.000 0.000 0.201 365 D C 1.773 178.027 176.300 -0.078 0.000 0.980 365 D CA 0.542 54.516 54.000 -0.043 0.000 0.842 365 D CB -0.202 40.612 40.800 0.023 0.000 0.948 365 D HN 0.197 nan 8.370 nan 0.000 0.472 366 L N 0.217 121.393 121.223 -0.079 0.000 2.012 366 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 366 L C 2.167 178.906 176.870 -0.219 0.000 1.073 366 L CA 1.565 56.288 54.840 -0.195 0.000 0.748 366 L CB -1.105 40.775 42.059 -0.298 0.000 0.891 366 L HN 0.157 nan 8.230 nan 0.000 0.431 367 Y N -1.293 119.000 120.300 -0.012 0.000 2.293 367 Y HA -0.111 4.439 4.550 -0.000 0.000 0.291 367 Y C 2.388 178.258 175.900 -0.050 0.000 1.137 367 Y CA 0.863 58.952 58.100 -0.018 0.000 1.202 367 Y CB -0.776 37.670 38.460 -0.024 0.000 0.990 367 Y HN 0.171 nan 8.280 nan 0.000 0.537 368 A N 0.580 123.429 122.820 0.048 0.000 1.898 368 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 368 A C 2.214 179.753 177.584 -0.076 0.000 1.181 368 A CA 1.419 53.430 52.037 -0.044 0.000 0.620 368 A CB -0.475 18.449 19.000 -0.127 0.000 0.819 368 A HN 0.383 nan 8.150 nan 0.000 0.442 369 R N -0.256 120.184 120.500 -0.100 0.000 2.070 369 R HA -0.118 4.222 4.340 -0.000 0.000 0.233 369 R C 2.149 178.422 176.300 -0.045 0.000 1.137 369 R CA 1.609 57.641 56.100 -0.114 0.000 0.945 369 R CB -0.398 29.824 30.300 -0.131 0.000 0.845 369 R HN 0.642 nan 8.270 nan 0.000 0.430 370 E N 0.498 120.694 120.200 -0.006 0.000 2.118 370 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 370 E C 1.993 178.619 176.600 0.043 0.000 0.992 370 E CA 1.094 57.518 56.400 0.040 0.000 0.804 370 E CB -0.103 29.630 29.700 0.055 0.000 0.741 370 E HN 0.383 nan 8.360 nan 0.000 0.458 371 A N 0.612 123.451 122.820 0.033 0.000 2.019 371 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 371 A C 2.037 179.641 177.584 0.032 0.000 1.164 371 A CA 1.178 53.232 52.037 0.028 0.000 0.644 371 A CB -0.283 18.725 19.000 0.013 0.000 0.805 371 A HN 0.164 nan 8.150 nan 0.000 0.449 372 M N -1.039 118.582 119.600 0.036 0.000 2.388 372 M HA -0.083 4.397 4.480 -0.000 0.000 0.265 372 M C 2.084 178.514 176.300 0.216 0.000 1.088 372 M CA 0.482 55.849 55.300 0.112 0.000 1.134 372 M CB -0.067 32.563 32.600 0.050 0.000 1.384 372 M HN 0.361 nan 8.290 nan 0.000 0.447 373 Q N 0.677 120.555 119.800 0.130 0.000 2.133 373 Q HA -0.217 4.123 4.340 -0.000 0.000 0.208 373 Q C 1.344 177.467 176.000 0.205 0.000 0.991 373 Q CA 1.796 57.694 55.803 0.159 0.000 0.867 373 Q CB -1.038 27.763 28.738 0.106 0.000 0.911 373 Q HN 0.675 nan 8.270 nan 0.000 0.417 374 N N -0.280 118.516 118.700 0.160 0.000 2.223 374 N HA -0.142 4.597 4.740 -0.000 0.000 0.185 374 N C 1.479 177.093 175.510 0.173 0.000 1.016 374 N CA 0.523 53.664 53.050 0.151 0.000 0.863 374 N CB -0.185 38.364 38.487 0.103 0.000 0.983 374 N HN 0.089 nan 8.380 nan 0.000 0.429 375 F N 0.233 120.158 119.950 -0.042 0.000 2.259 375 F HA -0.058 4.469 4.527 -0.000 0.000 0.298 375 F C 1.091 176.649 175.800 -0.403 0.000 1.088 375 F CA 1.057 58.914 58.000 -0.239 0.000 1.358 375 F CB -0.100 38.682 39.000 -0.364 0.000 1.040 375 F HN 0.045 nan 8.300 nan 0.000 0.505 376 Y N -2.901 117.293 120.300 -0.178 0.000 2.503 376 Y HA -0.013 4.537 4.550 -0.000 0.000 0.277 376 Y C 2.130 177.976 175.900 -0.089 0.000 1.102 376 Y CA 0.700 58.562 58.100 -0.396 0.000 1.261 376 Y CB -0.975 37.122 38.460 -0.604 0.000 1.096 376 Y HN 0.062 nan 8.280 nan 0.000 0.546 377 Y N 2.124 122.485 120.300 0.102 0.000 2.128 377 Y HA -0.295 4.255 4.550 -0.000 0.000 0.284 377 Y C 1.991 177.953 175.900 0.104 0.000 1.154 377 Y CA 2.026 60.197 58.100 0.119 0.000 1.149 377 Y CB -0.180 38.328 38.460 0.079 0.000 0.976 377 Y HN 0.296 nan 8.280 nan 0.000 0.505 378 D N -1.318 119.084 120.400 0.003 0.000 2.363 378 D HA 0.089 4.729 4.640 -0.000 0.000 0.226 378 D C 1.702 177.958 176.300 -0.072 0.000 1.020 378 D CA 0.972 54.937 54.000 -0.059 0.000 0.892 378 D CB -0.250 40.575 40.800 0.041 0.000 0.900 378 D HN 0.524 nan 8.370 nan 0.000 0.531 379 G N -0.828 107.950 108.800 -0.037 0.000 2.232 379 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.226 379 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.226 379 G C 1.310 176.169 174.900 -0.068 0.000 0.996 379 G CA 0.466 45.603 45.100 0.061 0.000 0.626 379 G HN 0.341 nan 8.290 nan 0.000 0.509 380 T N 0.985 115.400 114.554 -0.232 0.000 2.597 380 T HA -0.075 4.275 4.350 -0.000 0.000 0.267 380 T C 2.530 176.770 174.700 -0.767 0.000 1.053 380 T CA 2.690 64.551 62.100 -0.399 0.000 1.165 380 T CB -0.871 67.764 68.868 -0.388 0.000 0.863 380 T HN 1.134 nan 8.240 nan 0.000 0.427 381 G N -0.287 107.649 108.800 -1.441 0.000 2.450 381 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.220 381 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.220 381 G C 1.196 175.539 174.900 -0.927 0.000 1.130 381 G CA 0.382 44.202 45.100 -2.132 0.000 0.760 381 G HN 0.630 nan 8.290 nan 0.000 0.557 382 W N 0.525 121.676 121.300 -0.248 0.000 2.611 382 W HA 0.128 4.788 4.660 -0.000 0.000 0.251 382 W C 1.627 178.172 176.519 0.044 0.000 1.265 382 W CA 0.379 57.769 57.345 0.075 0.000 1.295 382 W CB 0.354 29.875 29.460 0.101 0.000 1.129 382 W HN 0.153 nan 8.180 nan 0.000 0.630 383 D N -1.606 118.840 120.400 0.076 0.000 2.766 383 D HA -0.060 4.579 4.640 -0.000 0.000 0.284 383 D C 1.224 177.530 176.300 0.009 0.000 1.050 383 D CA 0.865 54.901 54.000 0.059 0.000 0.945 383 D CB -0.536 40.275 40.800 0.019 0.000 1.272 383 D HN -0.075 nan 8.370 nan 0.000 0.482 384 D N 1.399 121.738 120.400 -0.102 0.000 2.349 384 D HA -0.008 4.632 4.640 -0.000 0.000 0.215 384 D C 0.471 176.838 176.300 0.112 0.000 1.016 384 D CA 0.152 54.141 54.000 -0.018 0.000 0.870 384 D CB -0.030 40.756 40.800 -0.024 0.000 0.917 384 D HN 0.480 nan 8.370 nan 0.000 0.524 385 E N 0.737 120.980 120.200 0.072 0.000 2.418 385 E HA 0.010 4.360 4.350 -0.000 0.000 0.261 385 E C -0.309 176.389 176.600 0.163 0.000 1.070 385 E CA 0.118 56.665 56.400 0.245 0.000 0.931 385 E CB 0.459 30.289 29.700 0.218 0.000 0.954 385 E HN 0.043 nan 8.360 nan 0.000 0.439 386 Q N 2.800 122.679 119.800 0.131 0.000 2.571 386 Q HA 0.292 4.632 4.340 -0.000 0.000 0.243 386 Q C -0.525 175.525 176.000 0.084 0.000 1.055 386 Q CA -0.324 55.534 55.803 0.092 0.000 0.815 386 Q CB 0.940 29.714 28.738 0.060 0.000 1.151 386 Q HN 0.484 nan 8.270 nan 0.000 0.519 387 L N 1.475 122.760 121.223 0.104 0.000 2.464 387 L HA 0.408 4.748 4.340 -0.000 0.000 0.264 387 L C 0.658 177.575 176.870 0.079 0.000 1.199 387 L CA -0.408 54.489 54.840 0.096 0.000 0.818 387 L CB 0.234 42.365 42.059 0.120 0.000 1.102 387 L HN 0.260 nan 8.230 nan 0.000 0.473 388 V N -1.704 118.253 119.914 0.072 0.000 3.119 388 V HA 0.630 4.750 4.120 -0.000 0.000 0.309 388 V C 0.886 177.021 176.094 0.068 0.000 1.304 388 V CA -0.112 62.225 62.300 0.062 0.000 1.057 388 V CB 0.860 32.714 31.823 0.051 0.000 1.150 388 V HN 0.795 nan 8.190 nan 0.000 0.474 389 A N 0.552 123.405 122.820 0.055 0.000 1.884 389 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 389 A C 2.168 179.793 177.584 0.068 0.000 1.197 389 A CA 3.660 55.725 52.037 0.047 0.000 0.637 389 A CB -1.750 17.266 19.000 0.026 0.000 0.827 389 A HN 1.676 nan 8.150 nan 0.000 0.450 390 T N -2.471 112.140 114.554 0.095 0.000 2.977 390 T HA -0.093 4.257 4.350 -0.000 0.000 0.271 390 T C 0.822 175.631 174.700 0.182 0.000 1.105 390 T CA 1.335 63.533 62.100 0.164 0.000 1.116 390 T CB -0.385 68.586 68.868 0.172 0.000 0.878 390 T HN 0.413 nan 8.240 nan 0.000 0.509 391 D N 0.614 121.092 120.400 0.130 0.000 2.352 391 D HA 0.134 4.774 4.640 -0.000 0.000 0.232 391 D C 1.561 177.952 176.300 0.152 0.000 1.055 391 D CA -0.062 54.013 54.000 0.125 0.000 0.891 391 D CB -0.128 40.729 40.800 0.095 0.000 0.897 391 D HN 0.391 nan 8.370 nan 0.000 0.529 392 I N 0.472 121.141 120.570 0.164 0.000 2.454 392 I HA -0.250 3.920 4.170 -0.000 0.000 0.254 392 I C 1.872 178.126 176.117 0.229 0.000 1.156 392 I CA 1.188 62.587 61.300 0.164 0.000 1.433 392 I CB -0.004 38.067 38.000 0.118 0.000 1.082 392 I HN -0.196 nan 8.210 nan 0.000 0.432 393 S N 1.919 117.802 115.700 0.305 0.000 2.344 393 S HA -0.055 4.415 4.470 -0.000 0.000 0.217 393 S C -0.363 174.502 174.600 0.441 0.000 1.033 393 S CA 1.826 60.262 58.200 0.392 0.000 1.017 393 S CB -1.592 61.877 63.200 0.448 0.000 0.941 393 S HN 0.454 nan 8.310 nan 0.000 0.430 394 P HA -0.031 nan 4.420 nan 0.000 0.218 394 P C 1.344 178.761 177.300 0.195 0.000 1.149 394 P CA 1.033 64.341 63.100 0.347 0.000 0.817 394 P CB -0.222 31.521 31.700 0.071 0.000 0.785 395 I N -0.163 120.478 120.570 0.118 0.000 2.252 395 I HA -0.186 3.984 4.170 -0.000 0.000 0.245 395 I C 2.337 178.502 176.117 0.080 0.000 1.102 395 I CA 1.686 63.012 61.300 0.043 0.000 1.385 395 I CB -1.241 36.844 38.000 0.141 0.000 1.064 395 I HN -0.012 nan 8.210 nan 0.000 0.414 396 T N 0.631 115.280 114.554 0.159 0.000 2.746 396 T HA -0.240 4.110 4.350 -0.000 0.000 0.267 396 T C 1.550 176.341 174.700 0.151 0.000 1.039 396 T CA 1.524 63.719 62.100 0.158 0.000 1.142 396 T CB -0.417 68.563 68.868 0.186 0.000 0.866 396 T HN 0.590 nan 8.240 nan 0.000 0.444 397 W N 2.542 123.848 121.300 0.010 0.000 2.358 397 W HA -0.132 4.528 4.660 -0.000 0.000 0.303 397 W C 1.985 178.441 176.519 -0.104 0.000 1.208 397 W CA 0.826 58.151 57.345 -0.033 0.000 1.274 397 W CB -0.327 29.137 29.460 0.005 0.000 1.138 397 W HN 0.189 nan 8.180 nan 0.000 0.515 398 R N 0.539 120.680 120.500 -0.598 0.000 2.081 398 R HA -0.142 4.198 4.340 -0.000 0.000 0.235 398 R C 2.392 178.430 176.300 -0.436 0.000 1.131 398 R CA 1.864 57.349 56.100 -1.025 0.000 0.960 398 R CB -0.360 29.241 30.300 -1.165 0.000 0.856 398 R HN 0.189 nan 8.270 nan 0.000 0.436 399 K N 0.919 121.231 120.400 -0.146 0.000 2.001 399 K HA -0.105 4.215 4.320 -0.000 0.000 0.208 399 K C 2.227 178.809 176.600 -0.029 0.000 1.048 399 K CA 1.083 57.376 56.287 0.010 0.000 0.932 399 K CB -0.337 32.214 32.500 0.084 0.000 0.715 399 K HN 0.168 nan 8.250 nan 0.000 0.437 400 L N 0.926 122.134 121.223 -0.025 0.000 2.013 400 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 400 L C 2.394 179.248 176.870 -0.026 0.000 1.073 400 L CA 1.852 56.733 54.840 0.068 0.000 0.753 400 L CB -0.476 41.647 42.059 0.105 0.000 0.890 400 L HN 0.174 nan 8.230 nan 0.000 0.432 401 A N -0.615 121.997 122.820 -0.347 0.000 1.933 401 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 401 A C 2.337 179.749 177.584 -0.288 0.000 1.175 401 A CA 1.930 53.691 52.037 -0.460 0.000 0.628 401 A CB -0.772 17.776 19.000 -0.754 0.000 0.814 401 A HN 0.591 nan 8.150 nan 0.000 0.444 402 S N -0.587 115.051 115.700 -0.103 0.000 2.382 402 S HA -0.135 4.335 4.470 -0.000 0.000 0.228 402 S C 2.068 176.608 174.600 -0.099 0.000 1.027 402 S CA 1.421 59.620 58.200 -0.002 0.000 0.991 402 S CB -0.250 62.993 63.200 0.071 0.000 0.823 402 S HN 0.614 nan 8.310 nan 0.000 0.469 403 R N -0.847 119.564 120.500 -0.148 0.000 2.093 403 R HA 0.016 4.356 4.340 -0.000 0.000 0.224 403 R C 1.138 177.099 176.300 -0.564 0.000 1.101 403 R CA 1.064 56.957 56.100 -0.346 0.000 0.979 403 R CB -0.066 30.012 30.300 -0.370 0.000 0.877 403 R HN 0.453 nan 8.270 nan 0.000 0.441 404 W N 1.217 122.459 121.300 -0.097 0.000 3.008 404 W HA 0.133 4.793 4.660 -0.000 0.000 0.355 404 W C -0.035 176.433 176.519 -0.086 0.000 1.095 404 W CA -0.925 56.379 57.345 -0.068 0.000 1.738 404 W CB -0.051 29.388 29.460 -0.035 0.000 1.091 404 W HN 0.057 nan 8.180 nan 0.000 0.574 405 N N 0.662 119.306 118.700 -0.092 0.000 2.416 405 N HA 0.037 4.777 4.740 -0.000 0.000 0.246 405 N C 0.699 176.268 175.510 0.099 0.000 1.260 405 N CA -0.001 52.960 53.050 -0.147 0.000 0.897 405 N CB 0.580 38.535 38.487 -0.887 0.000 1.110 405 N HN 0.044 nan 8.380 nan 0.000 0.439 406 R N 0.494 121.135 120.500 0.234 0.000 2.356 406 R HA 0.270 4.610 4.340 -0.000 0.000 0.234 406 R C 0.074 176.441 176.300 0.111 0.000 0.929 406 R CA 0.028 56.167 56.100 0.065 0.000 1.084 406 R CB -0.173 30.009 30.300 -0.196 0.000 1.105 406 R HN 0.807 nan 8.270 nan 0.000 0.515 407 G N 0.721 109.632 108.800 0.185 0.000 2.352 407 G HA2 0.124 4.084 3.960 -0.000 0.000 0.305 407 G HA3 0.124 4.084 3.960 -0.000 0.000 0.305 407 G C -1.430 173.651 174.900 0.302 0.000 1.537 407 G CA -0.998 44.216 45.100 0.190 0.000 0.959 407 G HN 0.031 nan 8.290 nan 0.000 0.668 408 I N 1.687 122.395 120.570 0.230 0.000 2.355 408 I HA 0.544 4.714 4.170 -0.000 0.000 0.288 408 I C 0.998 177.185 176.117 0.118 0.000 0.999 408 I CA -0.784 60.651 61.300 0.225 0.000 1.163 408 I CB 1.712 39.822 38.000 0.183 0.000 1.316 408 I HN 0.852 nan 8.210 nan 0.000 0.454 409 A N 7.241 130.121 122.820 0.099 0.000 2.498 409 A HA 0.237 4.557 4.320 -0.000 0.000 0.239 409 A C 0.122 177.694 177.584 -0.020 0.000 1.068 409 A CA 0.074 52.136 52.037 0.041 0.000 0.766 409 A CB 0.149 19.186 19.000 0.061 0.000 1.003 409 A HN 0.708 nan 8.150 nan 0.000 0.497 410 K N 2.099 122.427 120.400 -0.120 0.000 2.098 410 K HA 0.399 4.719 4.320 -0.000 0.000 0.257 410 K C -2.544 173.707 176.600 -0.581 0.000 0.999 410 K CA -1.539 54.605 56.287 -0.239 0.000 0.924 410 K CB 0.323 32.718 32.500 -0.176 0.000 1.028 410 K HN 0.426 nan 8.250 nan 0.000 0.466 411 P HA -0.029 nan 4.420 nan 0.000 0.269 411 P C -0.325 176.340 177.300 -1.059 0.000 1.209 411 P CA -0.067 62.099 63.100 -1.557 0.000 0.776 411 P CB 0.483 31.726 31.700 -0.762 0.000 0.876 412 G N 3.078 111.090 108.800 -1.313 0.000 2.432 412 G HA2 0.267 4.227 3.960 -0.000 0.000 0.239 412 G HA3 0.267 4.227 3.960 -0.000 0.000 0.239 412 G C -0.377 174.358 174.900 -0.276 0.000 1.291 412 G CA -0.323 44.471 45.100 -0.511 0.000 0.863 412 G HN 0.317 nan 8.290 nan 0.000 0.560 413 R N 0.813 121.217 120.500 -0.160 0.000 2.538 413 R HA 0.485 4.825 4.340 -0.000 0.000 0.292 413 R C 0.558 176.828 176.300 -0.049 0.000 1.008 413 R CA -0.351 55.694 56.100 -0.091 0.000 0.896 413 R CB 1.398 31.643 30.300 -0.092 0.000 1.187 413 R HN 1.345 nan 8.270 nan 0.000 0.440 414 G N 0.927 109.713 108.800 -0.023 0.000 2.225 414 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.267 414 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.267 414 G C 0.047 174.944 174.900 -0.004 0.000 1.024 414 G CA 0.797 45.890 45.100 -0.011 0.000 0.784 414 G HN 0.643 nan 8.290 nan 0.000 0.507 415 V N -4.551 115.366 119.914 0.005 0.000 3.167 415 V HA 0.970 5.090 4.120 -0.000 0.000 0.310 415 V C 0.565 176.687 176.094 0.047 0.000 1.207 415 V CA -0.817 61.495 62.300 0.020 0.000 1.059 415 V CB 1.330 33.160 31.823 0.011 0.000 1.079 415 V HN 1.812 nan 8.190 nan 0.000 0.446 416 A N 0.357 123.209 122.820 0.053 0.000 2.511 416 A HA 0.563 4.883 4.320 -0.000 0.000 0.242 416 A C 1.526 179.177 177.584 0.113 0.000 1.069 416 A CA 0.823 52.900 52.037 0.067 0.000 0.763 416 A CB -0.580 18.451 19.000 0.051 0.000 1.001 416 A HN 2.896 nan 8.150 nan 0.000 0.498 417 G N 0.632 109.505 108.800 0.121 0.000 2.217 417 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.246 417 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.246 417 G C 1.238 176.317 174.900 0.298 0.000 0.990 417 G CA 1.122 46.338 45.100 0.193 0.000 0.627 417 G HN 1.934 nan 8.290 nan 0.000 0.522 418 A N -0.631 122.310 122.820 0.201 0.000 1.898 418 A HA 0.487 4.807 4.320 -0.000 0.000 0.216 418 A C 1.260 178.940 177.584 0.161 0.000 1.181 418 A CA 2.042 54.174 52.037 0.159 0.000 0.620 418 A CB 0.030 19.063 19.000 0.054 0.000 0.819 418 A HN 1.168 nan 8.150 nan 0.000 0.442 419 V N 0.042 120.029 119.914 0.122 0.000 2.495 419 V HA 0.227 4.347 4.120 -0.000 0.000 0.298 419 V C 0.453 176.598 176.094 0.085 0.000 1.031 419 V CA -0.627 61.735 62.300 0.103 0.000 0.871 419 V CB 1.714 33.584 31.823 0.079 0.000 0.988 419 V HN 0.434 nan 8.190 nan 0.000 0.432 420 K N 1.688 122.134 120.400 0.077 0.000 2.361 420 K HA 0.052 4.372 4.320 -0.000 0.000 0.196 420 K C 0.221 176.796 176.600 -0.043 0.000 1.039 420 K CA 0.687 56.985 56.287 0.019 0.000 1.001 420 K CB 0.244 32.754 32.500 0.017 0.000 0.795 420 K HN 0.859 nan 8.250 nan 0.000 0.495 421 D N 0.962 121.377 120.400 0.026 0.000 2.892 421 D HA -0.024 4.616 4.640 -0.000 0.000 0.291 421 D C 0.073 176.502 176.300 0.215 0.000 1.341 421 D CA -0.384 53.662 54.000 0.076 0.000 0.844 421 D CB -0.264 40.688 40.800 0.253 0.000 1.093 421 D HN -0.067 nan 8.370 nan 0.000 0.480 422 T N -2.674 111.939 114.554 0.099 0.000 2.860 422 T HA 0.175 4.525 4.350 -0.000 0.000 0.299 422 T C 1.595 176.442 174.700 0.245 0.000 1.045 422 T CA 0.030 62.216 62.100 0.144 0.000 1.071 422 T CB 1.481 70.395 68.868 0.077 0.000 0.985 422 T HN 0.083 nan 8.240 nan 0.000 0.537 423 S N 1.630 117.462 115.700 0.220 0.000 2.442 423 S HA -0.076 4.394 4.470 -0.000 0.000 0.236 423 S C 1.965 176.670 174.600 0.175 0.000 1.007 423 S CA 0.486 58.827 58.200 0.234 0.000 0.965 423 S CB -0.830 62.444 63.200 0.123 0.000 0.773 423 S HN 0.652 nan 8.310 nan 0.000 0.504 424 L N 0.533 121.820 121.223 0.107 0.000 2.056 424 L HA 0.026 4.366 4.340 -0.000 0.000 0.207 424 L C 2.562 179.454 176.870 0.037 0.000 1.078 424 L CA 1.307 56.186 54.840 0.064 0.000 0.749 424 L CB -0.438 41.649 42.059 0.046 0.000 0.901 424 L HN 0.320 nan 8.230 nan 0.000 0.433 425 I N -1.202 119.362 120.570 -0.010 0.000 2.315 425 I HA -0.303 3.867 4.170 -0.000 0.000 0.248 425 I C 2.236 178.257 176.117 -0.160 0.000 1.117 425 I CA 1.429 62.657 61.300 -0.121 0.000 1.404 425 I CB -0.199 37.665 38.000 -0.227 0.000 1.071 425 I HN 0.098 nan 8.210 nan 0.000 0.419 426 F N 1.022 120.977 119.950 0.008 0.000 2.186 426 F HA -0.205 4.322 4.527 -0.000 0.000 0.299 426 F C 2.589 178.390 175.800 0.001 0.000 1.090 426 F CA 1.349 59.350 58.000 0.002 0.000 1.307 426 F CB -0.283 38.719 39.000 0.003 0.000 1.019 426 F HN -0.053 nan 8.300 nan 0.000 0.489 427 K N 0.613 121.112 120.400 0.166 0.000 2.002 427 K HA -0.233 4.087 4.320 -0.000 0.000 0.209 427 K C 1.956 178.589 176.600 0.054 0.000 1.048 427 K CA 1.784 58.127 56.287 0.095 0.000 0.930 427 K CB -0.274 32.268 32.500 0.070 0.000 0.714 427 K HN 0.319 nan 8.250 nan 0.000 0.438 428 Q N -0.214 119.603 119.800 0.029 0.000 2.061 428 Q HA -0.131 4.209 4.340 -0.000 0.000 0.204 428 Q C 2.087 178.086 176.000 -0.000 0.000 0.984 428 Q CA 2.240 58.047 55.803 0.007 0.000 0.846 428 Q CB -0.176 28.558 28.738 -0.007 0.000 0.902 428 Q HN 0.395 nan 8.270 nan 0.000 0.421 429 T N 0.919 115.466 114.554 -0.012 0.000 2.746 429 T HA -0.138 4.212 4.350 -0.000 0.000 0.267 429 T C 1.935 176.645 174.700 0.017 0.000 1.039 429 T CA 1.188 63.276 62.100 -0.019 0.000 1.142 429 T CB -0.298 68.537 68.868 -0.055 0.000 0.866 429 T HN 0.402 nan 8.240 nan 0.000 0.444 430 A N 1.877 124.729 122.820 0.053 0.000 1.972 430 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 430 A C 1.905 179.504 177.584 0.025 0.000 1.169 430 A CA 1.538 53.605 52.037 0.050 0.000 0.635 430 A CB -0.491 18.548 19.000 0.067 0.000 0.810 430 A HN 0.322 nan 8.150 nan 0.000 0.446 431 D N -1.423 118.988 120.400 0.019 0.000 2.363 431 D HA 0.250 4.890 4.640 -0.000 0.000 0.226 431 D C 1.381 177.683 176.300 0.002 0.000 1.020 431 D CA 1.188 55.193 54.000 0.009 0.000 0.892 431 D CB 0.039 40.844 40.800 0.008 0.000 0.900 431 D HN 0.619 nan 8.370 nan 0.000 0.531 432 G N 0.687 109.485 108.800 -0.002 0.000 2.159 432 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.227 432 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.227 432 G C 0.397 175.288 174.900 -0.015 0.000 0.986 432 G CA -0.294 44.799 45.100 -0.011 0.000 0.651 432 G HN 0.306 nan 8.290 nan 0.000 0.523 433 K N 1.197 121.589 120.400 -0.012 0.000 2.285 433 K HA 0.419 4.739 4.320 -0.000 0.000 0.286 433 K C 1.034 177.624 176.600 -0.016 0.000 1.072 433 K CA -0.510 55.773 56.287 -0.007 0.000 0.913 433 K CB 0.381 32.881 32.500 -0.001 0.000 1.067 433 K HN 0.335 nan 8.250 nan 0.000 0.479 434 R N 3.137 123.634 120.500 -0.005 0.000 2.637 434 R HA 0.191 4.531 4.340 -0.000 0.000 0.269 434 R C -2.120 174.228 176.300 0.080 0.000 1.089 434 R CA -1.652 54.438 56.100 -0.016 0.000 1.177 434 R CB -0.080 30.215 30.300 -0.009 0.000 1.091 434 R HN 0.428 nan 8.270 nan 0.000 0.540 435 P HA 0.032 nan 4.420 nan 0.000 0.266 435 P C -0.449 176.985 177.300 0.223 0.000 1.195 435 P CA 0.237 63.446 63.100 0.181 0.000 0.768 435 P CB 0.803 32.649 31.700 0.244 0.000 0.838 436 G N 0.219 109.093 108.800 0.123 0.000 3.243 436 G HA2 0.369 4.329 3.960 -0.000 0.000 0.248 436 G HA3 0.369 4.329 3.960 -0.000 0.000 0.248 436 G C -1.135 173.849 174.900 0.139 0.000 1.267 436 G CA -0.094 45.074 45.100 0.113 0.000 0.906 436 G HN 0.459 nan 8.290 nan 0.000 0.592 437 Y N -0.344 119.946 120.300 -0.017 0.000 3.012 437 Y HA 0.441 4.991 4.550 -0.000 0.000 0.236 437 Y C 0.757 176.651 175.900 -0.011 0.000 1.017 437 Y CA 0.212 58.298 58.100 -0.024 0.000 1.364 437 Y CB 0.225 38.667 38.460 -0.030 0.000 1.491 437 Y HN 0.249 nan 8.280 nan 0.000 0.435 438 K N 2.227 122.547 120.400 -0.134 0.000 2.339 438 K HA 0.359 4.679 4.320 -0.000 0.000 0.286 438 K C -0.682 175.847 176.600 -0.118 0.000 1.050 438 K CA -0.350 55.806 56.287 -0.220 0.000 0.956 438 K CB 1.650 34.111 32.500 -0.063 0.000 0.990 438 K HN -0.026 nan 8.250 nan 0.000 0.475 439 V N 3.619 123.453 119.914 -0.133 0.000 2.479 439 V HA -0.040 4.079 4.120 -0.000 0.000 0.281 439 V C 0.718 176.781 176.094 -0.052 0.000 1.031 439 V CA 0.025 62.282 62.300 -0.071 0.000 1.038 439 V CB 0.451 32.238 31.823 -0.059 0.000 0.981 439 V HN 0.737 nan 8.190 nan 0.000 0.478 440 E N 4.500 124.678 120.200 -0.037 0.000 2.376 440 E HA 0.110 4.460 4.350 -0.000 0.000 0.266 440 E C -0.164 176.399 176.600 -0.061 0.000 1.009 440 E CA -0.118 56.258 56.400 -0.040 0.000 0.902 440 E CB 0.564 30.246 29.700 -0.030 0.000 0.972 440 E HN 0.679 nan 8.360 nan 0.000 0.439 441 Q N 2.840 122.595 119.800 -0.075 0.000 2.204 441 Q HA 0.406 4.746 4.340 -0.000 0.000 0.254 441 Q C 0.167 176.084 176.000 -0.139 0.000 0.981 441 Q CA -0.787 54.945 55.803 -0.118 0.000 0.897 441 Q CB 1.617 30.290 28.738 -0.109 0.000 1.273 441 Q HN 0.560 nan 8.270 nan 0.000 0.464 442 I N 0.000 120.443 120.570 -0.212 0.000 2.984 442 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 442 I CA 0.000 61.181 61.300 -0.197 0.000 1.566 442 I CB 0.000 37.828 38.000 -0.286 0.000 1.214 442 I HN 0.000 nan 8.210 nan 0.000 0.494