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 3c2u_1_B DATA FIRST_RESID 1 DATA SEQUENCE MNIQNPVLKG FNPDPSIVRA GDDYYIATST FEWFPGVQIH HSKDLVHWHL DATA SEQUENCE VAHPLSTTEF LDMKGNPDSG GIWAPDLSYA DGKFWLIYTD VKVVDGMWKD DATA SEQUENCE CHNYLTTAED IKGPWSKPIL LNGAGFDASL FHDPSGKKYL VNMYWDQRVY DATA SEQUENCE HHNFYGIALQ EYSVAEEKLI GKPEIIYKGT DIAYTEGPHL YYINDMYYLM DATA SEQUENCE TAEGGTTYQH SETIARSKTI HGPYEIQPDY PLLSAWKEVH NPLQKCGHAS DATA SEQUENCE LVETQNGQWY LAHLTGRPLP APAGFPSRER EQHAFCPLGR ETAIQKIEWQ DATA SEQUENCE DGWPVVVGGQ QGSLEVEAPD LPQQEWAPTY EERDDFDKDT LNINFQTLRI DATA SEQUENCE PFSEHLGSLT ARPGFLRLYG RESLQSKFTQ AHIARRWQSF NFDAGTSVEF DATA SEQUENCE SPNSFQQMAG LTCYYNTENW SSIHVTWNEE KGRIIDLVTA DNGTFSMPLA DATA SEQUENCE GAEIPIPDEV KTVHFKVSVR GRIYQYAYSF DGETFHTLPI ELPSWKLSDD DATA SEQUENCE YVRGGGFFTG AFVGINAIDI TGTALPADFD YFTYKEL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.275 176.300 -0.041 0.000 1.140 1 M CA 0.000 55.295 55.300 -0.009 0.000 0.988 1 M CB 0.000 32.606 32.600 0.009 0.000 1.302 2 N N 2.440 121.124 118.700 -0.027 0.000 2.445 2 N HA 0.509 5.249 4.740 0.000 0.000 0.264 2 N C -0.424 175.057 175.510 -0.047 0.000 1.227 2 N CA -0.218 52.819 53.050 -0.023 0.000 0.963 2 N CB 0.847 39.340 38.487 0.010 0.000 1.188 2 N HN 0.631 nan 8.380 nan 0.000 0.491 3 I N 1.673 122.226 120.570 -0.027 0.000 2.668 3 I HA -0.099 4.071 4.170 0.000 0.000 0.285 3 I C 0.460 176.583 176.117 0.010 0.000 1.168 3 I CA 0.561 61.852 61.300 -0.015 0.000 1.424 3 I CB 0.244 38.260 38.000 0.026 0.000 1.377 3 I HN 0.045 nan 8.210 nan 0.000 0.560 4 Q N 6.092 125.895 119.800 0.005 0.000 2.413 4 Q HA 0.362 4.702 4.340 0.000 0.000 0.258 4 Q C -0.869 175.145 176.000 0.024 0.000 1.037 4 Q CA -0.665 55.150 55.803 0.021 0.000 0.764 4 Q CB 1.491 30.240 28.738 0.018 0.000 1.217 4 Q HN 0.512 nan 8.270 nan 0.000 0.490 5 N N 2.770 121.488 118.700 0.031 0.000 2.503 5 N HA 0.362 5.103 4.740 0.000 0.000 0.267 5 N C -2.344 173.184 175.510 0.030 0.000 1.214 5 N CA -1.290 51.768 53.050 0.014 0.000 0.959 5 N CB 0.545 39.047 38.487 0.025 0.000 1.142 5 N HN 0.155 nan 8.380 nan 0.000 0.455 6 P HA 0.037 nan 4.420 nan 0.000 0.275 6 P C 1.139 178.387 177.300 -0.086 0.000 1.227 6 P CA -0.434 62.628 63.100 -0.064 0.000 0.781 6 P CB 0.722 32.382 31.700 -0.066 0.000 0.906 7 V N 1.250 121.069 119.914 -0.158 0.000 2.719 7 V HA 0.032 4.152 4.120 0.000 0.000 0.252 7 V C 0.577 176.496 176.094 -0.292 0.000 1.065 7 V CA 1.164 63.356 62.300 -0.181 0.000 1.086 7 V CB -0.958 30.721 31.823 -0.241 0.000 0.700 7 V HN 0.250 nan 8.190 nan 0.000 0.467 8 L N 1.722 122.711 121.223 -0.391 0.000 2.316 8 L HA 0.539 4.879 4.340 0.000 0.000 0.280 8 L C -0.108 176.612 176.870 -0.251 0.000 1.006 8 L CA -0.347 54.236 54.840 -0.428 0.000 0.836 8 L CB 1.407 43.068 42.059 -0.662 0.000 1.221 8 L HN 0.091 nan 8.230 nan 0.000 0.418 9 K N 1.803 122.103 120.400 -0.167 0.000 2.087 9 K HA 0.710 5.030 4.320 0.000 0.000 0.255 9 K C 0.575 177.102 176.600 -0.122 0.000 0.988 9 K CA -0.066 56.155 56.287 -0.110 0.000 0.915 9 K CB 1.652 34.114 32.500 -0.064 0.000 1.043 9 K HN 0.741 nan 8.250 nan 0.000 0.457 10 G N 1.453 110.194 108.800 -0.099 0.000 2.749 10 G HA2 -0.323 3.637 3.960 0.000 0.000 0.242 10 G HA3 -0.323 3.637 3.960 0.000 0.000 0.242 10 G C -0.536 174.344 174.900 -0.033 0.000 1.364 10 G CA -0.278 44.772 45.100 -0.084 0.000 0.888 10 G HN 0.600 nan 8.290 nan 0.000 0.566 11 F N 2.354 122.191 119.950 -0.189 0.000 2.474 11 F HA 0.391 4.918 4.527 0.000 0.000 0.375 11 F C 0.568 176.324 175.800 -0.073 0.000 1.090 11 F CA -0.183 57.746 58.000 -0.118 0.000 1.044 11 F CB -0.343 38.562 39.000 -0.159 0.000 1.018 11 F HN 0.376 nan 8.300 nan 0.000 0.560 12 N N 7.021 125.613 118.700 -0.181 0.000 2.805 12 N HA 0.190 4.930 4.740 0.000 0.000 0.216 12 N C -3.047 172.388 175.510 -0.126 0.000 1.447 12 N CA -0.630 52.260 53.050 -0.268 0.000 0.785 12 N CB 1.503 39.835 38.487 -0.258 0.000 1.458 12 N HN 0.277 nan 8.380 nan 0.000 0.547 13 P HA 0.385 nan 4.420 nan 0.000 0.287 13 P C -0.642 176.647 177.300 -0.017 0.000 1.296 13 P CA -0.015 63.106 63.100 0.034 0.000 0.811 13 P CB 0.840 32.633 31.700 0.153 0.000 1.211 14 D N -2.194 118.180 120.400 -0.043 0.000 2.697 14 D HA -0.108 4.533 4.640 0.000 0.000 0.238 14 D C -2.063 174.263 176.300 0.043 0.000 1.152 14 D CA 0.454 54.358 54.000 -0.161 0.000 0.666 14 D CB -1.573 39.013 40.800 -0.357 0.000 1.037 14 D HN 0.330 nan 8.370 nan 0.000 0.423 15 P HA 0.087 nan 4.420 nan 0.000 0.271 15 P C -0.245 177.166 177.300 0.186 0.000 1.220 15 P CA 0.014 63.163 63.100 0.083 0.000 0.768 15 P CB 1.446 33.150 31.700 0.007 0.000 0.848 16 S N 4.247 120.045 115.700 0.164 0.000 2.520 16 S HA 0.433 4.903 4.470 0.000 0.000 0.324 16 S C -0.316 174.402 174.600 0.196 0.000 1.069 16 S CA -0.876 57.439 58.200 0.192 0.000 1.121 16 S CB -0.412 62.917 63.200 0.215 0.000 0.971 16 S HN 0.422 nan 8.310 nan 0.000 0.463 17 I N 5.460 126.157 120.570 0.212 0.000 2.428 17 I HA 0.717 4.887 4.170 0.000 0.000 0.296 17 I C -0.768 175.549 176.117 0.335 0.000 0.985 17 I CA -0.445 61.024 61.300 0.281 0.000 1.260 17 I CB 1.415 39.578 38.000 0.272 0.000 1.389 17 I HN 0.463 nan 8.210 nan 0.000 0.484 18 V N 7.712 127.871 119.914 0.409 0.000 2.888 18 V HA 0.520 4.641 4.120 0.000 0.000 0.309 18 V C -0.916 175.391 176.094 0.356 0.000 1.114 18 V CA -0.694 61.843 62.300 0.394 0.000 0.940 18 V CB 2.197 34.288 31.823 0.446 0.000 1.021 18 V HN 0.841 nan 8.190 nan 0.000 0.426 19 R N 4.444 125.053 120.500 0.182 0.000 2.346 19 R HA 0.808 5.148 4.340 0.000 0.000 0.311 19 R C -0.567 175.687 176.300 -0.075 0.000 0.983 19 R CA 0.056 56.072 56.100 -0.140 0.000 0.880 19 R CB 1.556 31.673 30.300 -0.304 0.000 1.100 19 R HN 0.913 nan 8.270 nan 0.000 0.453 20 A N 3.954 126.674 122.820 -0.167 0.000 2.483 20 A HA 0.568 4.889 4.320 0.000 0.000 0.308 20 A C 0.566 177.975 177.584 -0.292 0.000 1.291 20 A CA 0.060 51.861 52.037 -0.394 0.000 0.774 20 A CB 0.739 19.254 19.000 -0.807 0.000 1.134 20 A HN 1.073 nan 8.150 nan 0.000 0.471 21 G N 2.115 110.788 108.800 -0.211 0.000 2.574 21 G HA2 -0.328 3.632 3.960 0.000 0.000 0.301 21 G HA3 -0.328 3.632 3.960 0.000 0.000 0.301 21 G C 0.485 175.278 174.900 -0.179 0.000 1.166 21 G CA 0.789 45.805 45.100 -0.141 0.000 0.971 21 G HN 0.566 nan 8.290 nan 0.000 0.542 22 D N 2.246 122.572 120.400 -0.124 0.000 2.339 22 D HA 0.212 4.853 4.640 0.000 0.000 0.217 22 D C 0.165 176.389 176.300 -0.126 0.000 1.050 22 D CA 0.437 54.377 54.000 -0.099 0.000 0.856 22 D CB 0.107 40.900 40.800 -0.012 0.000 0.922 22 D HN 0.395 nan 8.370 nan 0.000 0.518 23 D N 0.162 120.459 120.400 -0.172 0.000 2.168 23 D HA 0.198 4.838 4.640 0.000 0.000 0.246 23 D C -0.383 175.690 176.300 -0.379 0.000 1.050 23 D CA -0.250 53.669 54.000 -0.135 0.000 0.857 23 D CB 1.301 42.120 40.800 0.032 0.000 1.169 23 D HN -0.018 nan 8.370 nan 0.000 0.453 24 Y N 0.854 120.979 120.300 -0.290 0.000 2.429 24 Y HA 0.400 4.950 4.550 0.000 0.000 0.342 24 Y C -0.480 175.265 175.900 -0.260 0.000 1.004 24 Y CA -0.784 57.235 58.100 -0.135 0.000 1.075 24 Y CB 1.410 39.824 38.460 -0.076 0.000 1.214 24 Y HN 0.246 nan 8.280 nan 0.000 0.455 25 Y N 2.448 123.039 120.300 0.485 0.000 2.477 25 Y HA 0.669 5.220 4.550 0.000 0.000 0.347 25 Y C -0.667 175.469 175.900 0.394 0.000 0.981 25 Y CA -1.104 57.256 58.100 0.433 0.000 1.033 25 Y CB 1.858 40.472 38.460 0.257 0.000 1.245 25 Y HN 0.340 nan 8.280 nan 0.000 0.455 26 I N 2.466 123.301 120.570 0.441 0.000 2.436 26 I HA 0.654 4.824 4.170 0.000 0.000 0.289 26 I C -0.574 175.626 176.117 0.139 0.000 1.010 26 I CA -0.936 60.471 61.300 0.179 0.000 1.098 26 I CB 1.765 39.679 38.000 -0.143 0.000 1.266 26 I HN 0.724 nan 8.210 nan 0.000 0.434 27 A N 4.412 127.297 122.820 0.107 0.000 2.290 27 A HA 0.792 5.112 4.320 0.000 0.000 0.310 27 A C -0.004 177.582 177.584 0.003 0.000 1.202 27 A CA -0.355 51.702 52.037 0.033 0.000 0.837 27 A CB 0.668 19.692 19.000 0.039 0.000 1.139 27 A HN 0.719 nan 8.150 nan 0.000 0.509 28 T N -0.418 114.105 114.554 -0.052 0.000 2.924 28 T HA 0.686 5.036 4.350 0.000 0.000 0.291 28 T C 0.135 174.768 174.700 -0.111 0.000 1.045 28 T CA -0.192 61.858 62.100 -0.083 0.000 1.015 28 T CB 1.202 69.990 68.868 -0.135 0.000 1.103 28 T HN 1.053 nan 8.240 nan 0.000 0.496 29 S N 0.713 116.357 115.700 -0.094 0.000 2.576 29 S HA 0.417 4.887 4.470 0.000 0.000 0.276 29 S C 1.033 175.602 174.600 -0.051 0.000 1.339 29 S CA -0.082 58.037 58.200 -0.135 0.000 1.039 29 S CB 0.656 63.723 63.200 -0.222 0.000 0.902 29 S HN 1.095 nan 8.310 nan 0.000 0.516 30 T N -1.898 112.643 114.554 -0.021 0.000 3.016 30 T HA 0.338 4.688 4.350 0.000 0.000 0.271 30 T C 0.479 175.568 174.700 0.648 0.000 0.968 30 T CA -0.232 62.069 62.100 0.334 0.000 0.891 30 T CB -0.833 68.124 68.868 0.147 0.000 1.149 30 T HN 0.567 nan 8.240 nan 0.000 0.524 31 F N 2.659 122.854 119.950 0.407 0.000 2.271 31 F HA -0.338 4.189 4.527 0.000 0.000 0.306 31 F C 1.821 177.771 175.800 0.250 0.000 1.484 31 F CA 1.835 60.058 58.000 0.371 0.000 1.166 31 F CB -1.196 38.023 39.000 0.365 0.000 3.762 31 F HN 0.310 nan 8.300 nan 0.000 0.149 32 E N 0.588 120.979 120.200 0.319 0.000 2.481 32 E HA -0.036 4.314 4.350 0.000 0.000 0.195 32 E C -0.021 176.535 176.600 -0.073 0.000 1.047 32 E CA 0.596 57.008 56.400 0.020 0.000 0.867 32 E CB -0.341 29.255 29.700 -0.174 0.000 0.858 32 E HN 0.506 nan 8.360 nan 0.000 0.513 33 W N 1.012 122.403 121.300 0.153 0.000 2.272 33 W HA 0.414 5.074 4.660 0.000 0.000 0.318 33 W C -0.278 176.297 176.519 0.094 0.000 1.255 33 W CA -0.675 56.725 57.345 0.093 0.000 1.200 33 W CB 0.485 30.035 29.460 0.148 0.000 1.170 33 W HN -0.116 nan 8.180 nan 0.000 0.549 34 F N 5.898 125.955 119.950 0.179 0.000 2.520 34 F HA 0.523 5.050 4.527 0.000 0.000 0.322 34 F C -1.914 173.868 175.800 -0.030 0.000 1.103 34 F CA -2.907 55.116 58.000 0.038 0.000 0.926 34 F CB 1.564 40.562 39.000 -0.004 0.000 1.154 34 F HN 0.067 nan 8.300 nan 0.000 0.453 35 P HA 0.234 nan 4.420 nan 0.000 0.274 35 P C -0.606 176.303 177.300 -0.651 0.000 1.246 35 P CA -0.202 62.235 63.100 -1.105 0.000 0.795 35 P CB 0.968 32.240 31.700 -0.713 0.000 1.006 36 G N -0.214 108.160 108.800 -0.709 0.000 2.420 36 G HA2 0.464 4.424 3.960 0.000 0.000 0.284 36 G HA3 0.464 4.424 3.960 0.000 0.000 0.284 36 G C -0.587 174.111 174.900 -0.336 0.000 1.177 36 G CA -0.691 44.171 45.100 -0.396 0.000 0.841 36 G HN 0.430 nan 8.290 nan 0.000 0.527 37 V N 0.893 120.674 119.914 -0.220 0.000 3.457 37 V HA -0.185 3.935 4.120 0.000 0.000 0.472 37 V C 0.213 176.165 176.094 -0.237 0.000 0.682 37 V CA 0.189 62.350 62.300 -0.231 0.000 1.992 37 V CB -1.405 30.223 31.823 -0.327 0.000 2.437 37 V HN 0.949 nan 8.190 nan 0.000 0.499 38 Q N 4.309 123.983 119.800 -0.209 0.000 2.314 38 Q HA 0.592 4.932 4.340 0.000 0.000 0.258 38 Q C -0.116 175.690 176.000 -0.324 0.000 0.954 38 Q CA -0.007 55.552 55.803 -0.406 0.000 0.890 38 Q CB 1.902 30.489 28.738 -0.251 0.000 1.210 38 Q HN 0.746 nan 8.270 nan 0.000 0.410 39 I N 2.731 123.036 120.570 -0.441 0.000 2.418 39 I HA 0.261 4.432 4.170 0.000 0.000 0.287 39 I C -0.707 175.279 176.117 -0.219 0.000 1.008 39 I CA -0.691 60.486 61.300 -0.204 0.000 1.104 39 I CB 1.300 39.186 38.000 -0.189 0.000 1.264 39 I HN 0.560 nan 8.210 nan 0.000 0.438 40 H N 3.791 122.864 119.070 0.007 0.000 2.533 40 H HA 0.485 5.042 4.556 0.000 0.000 0.343 40 H C -0.741 174.816 175.328 0.381 0.000 1.160 40 H CA -0.436 55.688 56.048 0.126 0.000 1.218 40 H CB 1.556 31.408 29.762 0.150 0.000 1.566 40 H HN 0.494 nan 8.280 nan 0.000 0.522 41 H N 0.743 119.960 119.070 0.246 0.000 2.679 41 H HA 0.628 5.185 4.556 0.000 0.000 0.367 41 H C -1.138 174.064 175.328 -0.209 0.000 1.162 41 H CA -0.573 55.429 56.048 -0.076 0.000 1.181 41 H CB 1.978 31.513 29.762 -0.378 0.000 1.693 41 H HN 0.572 nan 8.280 nan 0.000 0.538 42 S N 2.038 117.052 115.700 -1.142 0.000 2.565 42 S HA 0.271 4.741 4.470 0.000 0.000 0.269 42 S C -0.452 173.737 174.600 -0.684 0.000 1.153 42 S CA -0.766 56.800 58.200 -1.056 0.000 0.835 42 S CB 1.618 63.578 63.200 -2.068 0.000 1.122 42 S HN 0.802 nan 8.310 nan 0.000 0.462 43 K N 0.700 120.956 120.400 -0.241 0.000 2.358 43 K HA 0.191 4.511 4.320 0.000 0.000 0.200 43 K C -0.430 176.110 176.600 -0.101 0.000 1.030 43 K CA 0.345 56.604 56.287 -0.046 0.000 1.097 43 K CB 0.349 32.872 32.500 0.038 0.000 0.862 43 K HN 0.668 nan 8.250 nan 0.000 0.534 44 D N -0.898 119.309 120.400 -0.321 0.000 2.497 44 D HA 0.040 4.681 4.640 0.000 0.000 0.256 44 D C 0.751 176.767 176.300 -0.473 0.000 1.273 44 D CA -0.323 53.481 54.000 -0.326 0.000 0.812 44 D CB -0.119 40.567 40.800 -0.190 0.000 1.190 44 D HN 0.024 nan 8.370 nan 0.000 0.524 45 L N -0.579 120.268 121.223 -0.627 0.000 5.081 45 L HA -0.279 4.061 4.340 0.000 0.000 0.423 45 L C 0.975 177.792 176.870 -0.088 0.000 1.019 45 L CA 0.812 55.433 54.840 -0.365 0.000 1.223 45 L CB -1.719 40.073 42.059 -0.445 0.000 1.940 45 L HN 0.121 nan 8.230 nan 0.000 0.675 46 V N -1.798 117.940 119.914 -0.292 0.000 2.690 46 V HA 0.049 4.169 4.120 0.000 0.000 0.240 46 V C 0.860 176.737 176.094 -0.363 0.000 1.078 46 V CA 1.202 63.316 62.300 -0.309 0.000 1.102 46 V CB -0.009 31.510 31.823 -0.507 0.000 0.800 46 V HN 0.379 nan 8.190 nan 0.000 0.479 47 H N -1.802 117.151 119.070 -0.196 0.000 2.476 47 H HA 0.475 5.031 4.556 0.000 0.000 0.328 47 H C -1.361 173.925 175.328 -0.070 0.000 1.073 47 H CA -0.429 55.586 56.048 -0.055 0.000 1.229 47 H CB 0.683 30.324 29.762 -0.201 0.000 1.432 47 H HN 0.270 nan 8.280 nan 0.000 0.477 48 W N 1.677 123.212 121.300 0.392 0.000 2.864 48 W HA 0.399 5.060 4.660 0.000 0.000 0.343 48 W C -0.456 176.270 176.519 0.344 0.000 1.109 48 W CA -0.703 56.818 57.345 0.294 0.000 1.192 48 W CB 1.275 30.798 29.460 0.105 0.000 1.426 48 W HN 0.743 nan 8.180 nan 0.000 0.529 49 H N -0.173 119.001 119.070 0.172 0.000 2.930 49 H HA 0.679 5.235 4.556 0.000 0.000 0.371 49 H C -1.638 173.711 175.328 0.035 0.000 1.169 49 H CA -1.523 54.573 56.048 0.079 0.000 1.157 49 H CB 1.701 31.372 29.762 -0.152 0.000 1.789 49 H HN 0.386 nan 8.280 nan 0.000 0.547 50 L N 3.754 124.909 121.223 -0.113 0.000 2.319 50 L HA 0.194 4.534 4.340 0.000 0.000 0.280 50 L C 0.445 177.044 176.870 -0.452 0.000 1.099 50 L CA 0.106 54.619 54.840 -0.545 0.000 0.828 50 L CB 1.103 42.866 42.059 -0.492 0.000 1.150 50 L HN 0.809 nan 8.230 nan 0.000 0.442 51 V N 1.977 121.598 119.914 -0.488 0.000 3.497 51 V HA 0.833 4.953 4.120 0.000 0.000 0.272 51 V C 0.368 176.285 176.094 -0.296 0.000 1.474 51 V CA 0.490 62.552 62.300 -0.396 0.000 1.025 51 V CB -0.242 31.312 31.823 -0.448 0.000 0.820 51 V HN 0.957 nan 8.190 nan 0.000 0.437 52 A N -0.220 122.370 122.820 -0.383 0.000 2.608 52 A HA 0.854 5.174 4.320 0.000 0.000 0.292 52 A C -1.672 175.573 177.584 -0.564 0.000 1.066 52 A CA -0.507 51.342 52.037 -0.314 0.000 0.676 52 A CB 1.086 19.954 19.000 -0.219 0.000 1.277 52 A HN 0.594 nan 8.150 nan 0.000 0.413 53 H N 1.123 120.032 119.070 -0.268 0.000 3.036 53 H HA 0.382 4.939 4.556 0.000 0.000 0.295 53 H C -2.360 172.670 175.328 -0.497 0.000 1.124 53 H CA -1.311 54.518 56.048 -0.365 0.000 1.507 53 H CB 1.398 30.959 29.762 -0.333 0.000 1.591 53 H HN 0.380 nan 8.280 nan 0.000 0.510 54 P HA -0.121 nan 4.420 nan 0.000 0.219 54 P C -0.029 176.563 177.300 -1.180 0.000 1.146 54 P CA 1.068 63.528 63.100 -1.066 0.000 0.808 54 P CB 0.487 31.077 31.700 -1.851 0.000 0.779 55 L N -0.081 120.559 121.223 -0.971 0.000 2.397 55 L HA 0.201 4.542 4.340 0.000 0.000 0.263 55 L C 0.979 177.430 176.870 -0.699 0.000 1.136 55 L CA -0.024 54.236 54.840 -0.968 0.000 1.019 55 L CB -0.078 41.482 42.059 -0.833 0.000 1.352 55 L HN 0.004 nan 8.230 nan 0.000 0.420 56 S N -1.389 114.046 115.700 -0.441 0.000 2.559 56 S HA 0.119 4.589 4.470 0.000 0.000 0.226 56 S C 0.693 175.491 174.600 0.329 0.000 1.000 56 S CA 0.013 58.129 58.200 -0.140 0.000 0.948 56 S CB 0.325 63.473 63.200 -0.087 0.000 0.870 56 S HN 0.583 nan 8.310 nan 0.000 0.497 57 T N -1.376 113.492 114.554 0.522 0.000 2.887 57 T HA 0.486 4.836 4.350 0.000 0.000 0.292 57 T C 1.033 175.990 174.700 0.427 0.000 1.087 57 T CA 0.130 62.512 62.100 0.470 0.000 1.009 57 T CB 1.161 70.209 68.868 0.299 0.000 1.203 57 T HN 0.112 nan 8.240 nan 0.000 0.518 58 T N -1.976 112.693 114.554 0.191 0.000 3.007 58 T HA -0.066 4.284 4.350 0.000 0.000 0.270 58 T C 1.404 176.133 174.700 0.049 0.000 1.107 58 T CA 1.455 63.610 62.100 0.091 0.000 1.118 58 T CB -0.530 68.324 68.868 -0.023 0.000 0.889 58 T HN 0.793 nan 8.240 nan 0.000 0.506 59 E N -0.006 120.194 120.200 -0.000 0.000 2.106 59 E HA -0.060 4.291 4.350 0.000 0.000 0.192 59 E C 1.461 177.956 176.600 -0.174 0.000 0.984 59 E CA 0.846 57.167 56.400 -0.130 0.000 0.806 59 E CB -0.235 29.315 29.700 -0.251 0.000 0.750 59 E HN 0.693 nan 8.360 nan 0.000 0.458 60 F N -0.012 119.937 119.950 -0.001 0.000 2.206 60 F HA 0.066 4.593 4.527 0.000 0.000 0.298 60 F C 0.657 176.418 175.800 -0.064 0.000 1.090 60 F CA 0.241 58.215 58.000 -0.045 0.000 1.323 60 F CB 0.474 39.390 39.000 -0.139 0.000 1.028 60 F HN 0.040 nan 8.300 nan 0.000 0.492 61 L N 0.380 121.720 121.223 0.195 0.000 2.676 61 L HA 0.317 4.657 4.340 0.000 0.000 0.262 61 L C -1.769 175.221 176.870 0.200 0.000 0.965 61 L CA -0.471 54.472 54.840 0.173 0.000 0.920 61 L CB 1.130 43.268 42.059 0.132 0.000 1.260 61 L HN -0.186 nan 8.230 nan 0.000 0.422 62 D N 5.359 125.815 120.400 0.094 0.000 2.464 62 D HA 0.406 5.046 4.640 0.000 0.000 0.243 62 D C 0.056 176.371 176.300 0.026 0.000 1.104 62 D CA -0.139 53.884 54.000 0.039 0.000 0.883 62 D CB 0.918 41.722 40.800 0.008 0.000 1.050 62 D HN 0.628 nan 8.370 nan 0.000 0.524 63 M N 1.922 121.527 119.600 0.007 0.000 2.405 63 M HA 0.177 4.658 4.480 0.000 0.000 0.292 63 M C 0.333 176.553 176.300 -0.133 0.000 1.111 63 M CA -0.387 54.898 55.300 -0.025 0.000 0.979 63 M CB 0.386 33.002 32.600 0.026 0.000 1.426 63 M HN -0.037 nan 8.290 nan 0.000 0.509 64 K N 1.284 121.591 120.400 -0.156 0.000 2.491 64 K HA 0.123 4.443 4.320 0.000 0.000 0.279 64 K C 1.246 177.573 176.600 -0.455 0.000 1.026 64 K CA 1.051 57.164 56.287 -0.290 0.000 1.070 64 K CB 0.044 32.497 32.500 -0.078 0.000 0.887 64 K HN 0.483 nan 8.250 nan 0.000 0.481 65 G N 2.217 110.427 108.800 -0.983 0.000 2.212 65 G HA2 -0.313 3.647 3.960 0.000 0.000 0.266 65 G HA3 -0.313 3.647 3.960 0.000 0.000 0.266 65 G C -0.006 174.703 174.900 -0.319 0.000 0.978 65 G CA 0.064 44.667 45.100 -0.827 0.000 0.632 65 G HN 0.650 nan 8.290 nan 0.000 0.537 66 N N 2.410 120.975 118.700 -0.225 0.000 2.353 66 N HA 0.357 5.097 4.740 0.000 0.000 0.248 66 N C -1.742 173.729 175.510 -0.065 0.000 1.240 66 N CA -0.460 52.533 53.050 -0.095 0.000 0.862 66 N CB 0.663 39.123 38.487 -0.044 0.000 1.086 66 N HN 0.279 nan 8.380 nan 0.000 0.453 67 P HA 0.019 nan 4.420 nan 0.000 0.270 67 P C -0.731 176.602 177.300 0.055 0.000 1.223 67 P CA -0.123 62.996 63.100 0.032 0.000 0.785 67 P CB 0.535 32.272 31.700 0.061 0.000 0.923 68 D N 0.753 121.185 120.400 0.052 0.000 2.493 68 D HA -0.014 4.626 4.640 0.000 0.000 0.240 68 D C 0.799 177.165 176.300 0.110 0.000 1.142 68 D CA 0.934 54.968 54.000 0.056 0.000 0.872 68 D CB -0.216 40.617 40.800 0.055 0.000 1.173 68 D HN 0.299 nan 8.370 nan 0.000 0.467 69 S N -0.041 115.751 115.700 0.153 0.000 3.382 69 S HA -0.143 4.327 4.470 0.000 0.000 0.293 69 S C 0.880 175.906 174.600 0.709 0.000 1.262 69 S CA 0.774 59.144 58.200 0.283 0.000 0.969 69 S CB -1.068 62.078 63.200 -0.091 0.000 1.136 69 S HN 0.760 nan 8.310 nan 0.000 0.635 70 G N 0.017 109.115 108.800 0.497 0.000 2.582 70 G HA2 0.689 4.649 3.960 0.000 0.000 0.232 70 G HA3 0.689 4.649 3.960 0.000 0.000 0.232 70 G C 0.894 176.043 174.900 0.416 0.000 1.458 70 G CA 0.326 45.683 45.100 0.430 0.000 1.062 70 G HN 1.530 nan 8.290 nan 0.000 0.566 71 G N -0.893 108.002 108.800 0.158 0.000 2.528 71 G HA2 -0.206 3.754 3.960 0.000 0.000 0.262 71 G HA3 -0.206 3.754 3.960 0.000 0.000 0.262 71 G C 0.095 175.069 174.900 0.123 0.000 1.200 71 G CA 0.034 45.217 45.100 0.137 0.000 0.951 71 G HN 0.849 nan 8.290 nan 0.000 0.566 72 I N 1.317 121.925 120.570 0.065 0.000 2.483 72 I HA 0.236 4.406 4.170 0.000 0.000 0.291 72 I C 0.608 176.544 176.117 -0.302 0.000 1.112 72 I CA -0.334 60.945 61.300 -0.035 0.000 1.350 72 I CB -0.670 37.283 38.000 -0.078 0.000 1.419 72 I HN 0.410 nan 8.210 nan 0.000 0.523 73 W N 4.554 125.597 121.300 -0.429 0.000 1.940 73 W HA 0.502 5.162 4.660 0.000 0.000 0.516 73 W C 0.656 177.010 176.519 -0.276 0.000 2.058 73 W CA -0.822 56.236 57.345 -0.478 0.000 2.332 73 W CB -0.173 29.168 29.460 -0.198 0.000 1.870 73 W HN 0.490 nan 8.180 nan 0.000 0.766 74 A N 3.986 126.847 122.820 0.068 0.000 2.566 74 A HA 0.222 4.542 4.320 0.000 0.000 0.245 74 A C -1.980 175.700 177.584 0.159 0.000 1.056 74 A CA -0.507 51.554 52.037 0.039 0.000 0.757 74 A CB -1.252 17.783 19.000 0.059 0.000 0.979 74 A HN 0.196 nan 8.150 nan 0.000 0.508 75 P HA 0.463 nan 4.420 nan 0.000 0.280 75 P C -1.177 176.269 177.300 0.243 0.000 1.272 75 P CA -0.360 62.841 63.100 0.168 0.000 0.819 75 P CB 1.334 33.081 31.700 0.077 0.000 1.122 76 D N 0.121 120.674 120.400 0.255 0.000 2.686 76 D HA 0.439 5.079 4.640 0.000 0.000 0.249 76 D C -1.696 174.774 176.300 0.284 0.000 1.260 76 D CA -0.423 53.753 54.000 0.293 0.000 0.910 76 D CB 0.625 41.617 40.800 0.320 0.000 1.323 76 D HN 0.050 nan 8.370 nan 0.000 0.561 77 L N 3.812 125.208 121.223 0.289 0.000 2.325 77 L HA 0.733 5.073 4.340 0.000 0.000 0.281 77 L C -0.816 176.302 176.870 0.413 0.000 1.004 77 L CA -0.170 54.883 54.840 0.355 0.000 0.823 77 L CB 1.301 43.543 42.059 0.304 0.000 1.236 77 L HN 0.513 nan 8.230 nan 0.000 0.415 78 S N 3.591 119.596 115.700 0.509 0.000 2.704 78 S HA 0.736 5.206 4.470 0.000 0.000 0.296 78 S C -1.292 173.634 174.600 0.544 0.000 1.138 78 S CA -0.665 57.825 58.200 0.483 0.000 0.875 78 S CB 1.708 65.189 63.200 0.469 0.000 1.151 78 S HN 0.551 nan 8.310 nan 0.000 0.500 79 Y N 0.067 120.457 120.300 0.150 0.000 2.361 79 Y HA 0.683 5.233 4.550 0.000 0.000 0.328 79 Y C -0.806 174.974 175.900 -0.200 0.000 1.044 79 Y CA -0.046 58.023 58.100 -0.052 0.000 1.085 79 Y CB 1.330 39.647 38.460 -0.239 0.000 1.194 79 Y HN 1.311 nan 8.280 nan 0.000 0.438 80 A N 3.803 126.202 122.820 -0.701 0.000 2.599 80 A HA 0.532 4.852 4.320 0.000 0.000 0.294 80 A C -0.897 176.508 177.584 -0.298 0.000 1.055 80 A CA -0.315 51.367 52.037 -0.592 0.000 0.683 80 A CB 0.748 19.145 19.000 -1.005 0.000 1.278 80 A HN 0.764 nan 8.150 nan 0.000 0.412 81 D N 0.433 120.689 120.400 -0.240 0.000 2.751 81 D HA -0.173 4.467 4.640 0.000 0.000 0.233 81 D C 1.101 177.299 176.300 -0.171 0.000 1.149 81 D CA 2.977 56.919 54.000 -0.097 0.000 0.682 81 D CB -1.434 39.423 40.800 0.094 0.000 1.068 81 D HN 2.365 nan 8.370 nan 0.000 0.429 82 G N -0.291 108.294 108.800 -0.358 0.000 2.159 82 G HA2 -0.334 3.626 3.960 0.000 0.000 0.256 82 G HA3 -0.334 3.626 3.960 0.000 0.000 0.256 82 G C 0.168 174.864 174.900 -0.340 0.000 0.977 82 G CA 0.880 45.817 45.100 -0.271 0.000 0.652 82 G HN 0.802 nan 8.290 nan 0.000 0.531 83 K N -0.981 119.072 120.400 -0.579 0.000 2.512 83 K HA 0.733 5.053 4.320 0.000 0.000 0.263 83 K C -0.849 175.451 176.600 -0.500 0.000 0.966 83 K CA -1.353 54.650 56.287 -0.472 0.000 0.851 83 K CB 1.319 33.520 32.500 -0.499 0.000 1.395 83 K HN -0.022 nan 8.250 nan 0.000 0.440 84 F N 0.816 120.721 119.950 -0.077 0.000 2.399 84 F HA 0.323 4.850 4.527 0.000 0.000 0.342 84 F C -0.491 175.345 175.800 0.061 0.000 1.106 84 F CA 0.042 58.139 58.000 0.162 0.000 1.196 84 F CB 0.685 39.756 39.000 0.118 0.000 1.163 84 F HN 0.370 nan 8.300 nan 0.000 0.547 85 W N 5.282 126.838 121.300 0.425 0.000 2.538 85 W HA 0.577 5.237 4.660 0.000 0.000 0.322 85 W C -1.412 175.351 176.519 0.407 0.000 1.028 85 W CA -0.844 56.733 57.345 0.386 0.000 1.228 85 W CB 1.202 30.849 29.460 0.311 0.000 1.356 85 W HN 0.131 nan 8.180 nan 0.000 0.452 86 L N 5.799 127.369 121.223 0.577 0.000 2.319 86 L HA 0.595 4.935 4.340 0.000 0.000 0.281 86 L C -0.957 176.125 176.870 0.354 0.000 1.005 86 L CA -0.812 54.250 54.840 0.371 0.000 0.828 86 L CB 0.408 42.526 42.059 0.098 0.000 1.227 86 L HN 0.218 nan 8.230 nan 0.000 0.415 87 I N 6.453 127.205 120.570 0.302 0.000 2.331 87 I HA 0.319 4.489 4.170 0.000 0.000 0.292 87 I C -0.301 175.993 176.117 0.295 0.000 0.998 87 I CA -0.370 61.071 61.300 0.236 0.000 1.267 87 I CB 0.604 38.709 38.000 0.176 0.000 1.386 87 I HN 0.696 nan 8.210 nan 0.000 0.476 88 Y N 2.927 123.317 120.300 0.149 0.000 2.605 88 Y HA 0.810 5.361 4.550 0.000 0.000 0.343 88 Y C -0.738 175.281 175.900 0.198 0.000 1.036 88 Y CA -1.037 57.143 58.100 0.132 0.000 1.065 88 Y CB 1.608 40.102 38.460 0.057 0.000 1.288 88 Y HN 0.395 nan 8.280 nan 0.000 0.481 89 T N 2.123 116.875 114.554 0.331 0.000 2.879 89 T HA 0.222 4.573 4.350 0.000 0.000 0.290 89 T C -1.885 172.938 174.700 0.206 0.000 0.993 89 T CA -0.589 61.631 62.100 0.199 0.000 0.975 89 T CB 1.207 70.164 68.868 0.149 0.000 0.981 89 T HN 0.677 nan 8.240 nan 0.000 0.439 90 D N 3.011 123.545 120.400 0.224 0.000 2.373 90 D HA 0.369 5.009 4.640 0.000 0.000 0.227 90 D C -0.464 175.806 176.300 -0.050 0.000 1.091 90 D CA -0.415 53.675 54.000 0.150 0.000 0.840 90 D CB 0.849 41.822 40.800 0.288 0.000 1.060 90 D HN 0.181 nan 8.370 nan 0.000 0.502 91 V N 5.896 125.659 119.914 -0.252 0.000 2.432 91 V HA 0.222 4.342 4.120 0.000 0.000 0.275 91 V C 1.238 177.181 176.094 -0.252 0.000 1.043 91 V CA -0.455 61.556 62.300 -0.482 0.000 0.925 91 V CB 1.535 32.621 31.823 -1.228 0.000 0.985 91 V HN 0.449 nan 8.190 nan 0.000 0.466 92 K N 2.944 123.215 120.400 -0.216 0.000 2.348 92 K HA 0.296 4.616 4.320 0.000 0.000 0.194 92 K C -0.093 176.448 176.600 -0.099 0.000 1.052 92 K CA 0.530 56.752 56.287 -0.109 0.000 1.004 92 K CB 1.071 33.529 32.500 -0.070 0.000 0.873 92 K HN 0.449 nan 8.250 nan 0.000 0.523 93 V N 1.899 121.721 119.914 -0.153 0.000 2.577 93 V HA 0.173 4.293 4.120 0.000 0.000 0.303 93 V C 0.427 176.466 176.094 -0.092 0.000 1.042 93 V CA -0.649 61.598 62.300 -0.087 0.000 0.872 93 V CB 2.054 33.828 31.823 -0.082 0.000 0.998 93 V HN -0.007 nan 8.190 nan 0.000 0.423 94 V N -0.134 119.802 119.914 0.037 0.000 3.432 94 V HA 0.450 4.570 4.120 0.000 0.000 0.298 94 V C -0.115 176.100 176.094 0.202 0.000 1.464 94 V CA 0.127 62.525 62.300 0.162 0.000 1.046 94 V CB 0.518 32.520 31.823 0.298 0.000 0.887 94 V HN 0.828 nan 8.190 nan 0.000 0.441 95 D N -0.412 120.077 120.400 0.147 0.000 2.879 95 D HA 0.679 5.319 4.640 0.000 0.000 0.236 95 D C 0.314 176.714 176.300 0.166 0.000 1.171 95 D CA 0.244 54.343 54.000 0.163 0.000 0.868 95 D CB 1.566 42.441 40.800 0.125 0.000 1.598 95 D HN 0.858 nan 8.370 nan 0.000 0.497 96 G N 1.529 110.445 108.800 0.193 0.000 2.451 96 G HA2 -0.176 3.785 3.960 0.000 0.000 0.208 96 G HA3 -0.176 3.785 3.960 0.000 0.000 0.208 96 G C 0.767 175.798 174.900 0.218 0.000 1.248 96 G CA 0.178 45.385 45.100 0.178 0.000 0.989 96 G HN 0.859 nan 8.290 nan 0.000 0.559 97 M N -1.934 117.753 119.600 0.145 0.000 2.447 97 M HA 0.388 4.868 4.480 0.000 0.000 0.264 97 M C 0.680 177.078 176.300 0.163 0.000 1.095 97 M CA 0.442 55.769 55.300 0.046 0.000 1.125 97 M CB 0.308 32.751 32.600 -0.263 0.000 1.389 97 M HN 0.374 nan 8.290 nan 0.000 0.459 98 W N 1.550 122.951 121.300 0.168 0.000 2.671 98 W HA 0.493 5.153 4.660 0.000 0.000 0.360 98 W C -0.297 175.926 176.519 -0.493 0.000 1.128 98 W CA -0.681 56.602 57.345 -0.103 0.000 1.184 98 W CB 1.565 30.954 29.460 -0.119 0.000 1.415 98 W HN -0.103 nan 8.180 nan 0.000 0.604 99 K N 1.333 121.315 120.400 -0.697 0.000 3.301 99 K HA 0.161 4.481 4.320 0.000 0.000 0.170 99 K C -1.223 175.057 176.600 -0.533 0.000 1.061 99 K CA -0.167 55.682 56.287 -0.730 0.000 0.807 99 K CB -0.285 31.516 32.500 -1.166 0.000 0.889 99 K HN 0.179 nan 8.250 nan 0.000 0.564 100 D N 1.029 121.203 120.400 -0.376 0.000 2.531 100 D HA 0.006 4.646 4.640 0.000 0.000 0.239 100 D C 0.121 176.156 176.300 -0.441 0.000 1.144 100 D CA 0.800 54.569 54.000 -0.386 0.000 0.869 100 D CB 0.244 40.858 40.800 -0.309 0.000 1.160 100 D HN 0.504 nan 8.370 nan 0.000 0.484 101 C N 1.456 120.419 119.300 -0.562 0.000 3.321 101 C HA 0.642 5.103 4.460 0.000 0.000 0.329 101 C C -1.498 172.995 174.990 -0.828 0.000 1.394 101 C CA -0.908 57.781 59.018 -0.549 0.000 1.291 101 C CB 1.810 29.313 27.740 -0.396 0.000 1.606 101 C HN 0.655 nan 8.230 nan 0.000 0.463 102 H N 0.950 119.926 119.070 -0.158 0.000 2.759 102 H HA 0.448 5.005 4.556 0.000 0.000 0.354 102 H C -1.230 173.876 175.328 -0.369 0.000 1.074 102 H CA -0.196 55.676 56.048 -0.292 0.000 1.226 102 H CB 1.724 31.300 29.762 -0.310 0.000 1.648 102 H HN 0.757 nan 8.280 nan 0.000 0.529 103 N N 2.253 120.739 118.700 -0.357 0.000 2.421 103 N HA 0.353 5.093 4.740 0.000 0.000 0.285 103 N C -1.127 174.048 175.510 -0.557 0.000 1.027 103 N CA -0.389 52.477 53.050 -0.308 0.000 0.918 103 N CB 1.469 39.873 38.487 -0.139 0.000 1.152 103 N HN 0.351 nan 8.380 nan 0.000 0.485 104 Y N 0.665 120.751 120.300 -0.356 0.000 2.536 104 Y HA 0.530 5.081 4.550 0.000 0.000 0.347 104 Y C -0.703 175.014 175.900 -0.306 0.000 1.000 104 Y CA -1.184 56.658 58.100 -0.431 0.000 1.051 104 Y CB 1.429 39.371 38.460 -0.864 0.000 1.259 104 Y HN 0.305 nan 8.280 nan 0.000 0.468 105 L N 1.801 123.062 121.223 0.063 0.000 2.333 105 L HA 0.771 5.111 4.340 0.000 0.000 0.280 105 L C -0.512 176.531 176.870 0.288 0.000 1.004 105 L CA 0.011 54.947 54.840 0.161 0.000 0.820 105 L CB 1.745 43.847 42.059 0.072 0.000 1.247 105 L HN 0.692 nan 8.230 nan 0.000 0.416 106 T N 2.715 117.507 114.554 0.397 0.000 2.900 106 T HA 0.821 5.171 4.350 0.000 0.000 0.295 106 T C -0.692 174.320 174.700 0.521 0.000 1.044 106 T CA 0.137 62.520 62.100 0.471 0.000 0.995 106 T CB 1.161 70.381 68.868 0.587 0.000 1.072 106 T HN 0.918 nan 8.240 nan 0.000 0.473 107 T N 0.553 115.341 114.554 0.389 0.000 2.906 107 T HA 0.904 5.254 4.350 0.000 0.000 0.295 107 T C -0.772 173.815 174.700 -0.188 0.000 1.075 107 T CA -0.729 61.422 62.100 0.086 0.000 1.005 107 T CB 1.677 70.324 68.868 -0.369 0.000 1.136 107 T HN 1.062 nan 8.240 nan 0.000 0.498 108 A N 0.844 123.308 122.820 -0.593 0.000 2.594 108 A HA 0.666 4.986 4.320 0.000 0.000 0.295 108 A C 0.430 177.772 177.584 -0.404 0.000 1.071 108 A CA -0.780 50.774 52.037 -0.806 0.000 0.685 108 A CB 1.247 19.121 19.000 -1.876 0.000 1.285 108 A HN 0.884 nan 8.150 nan 0.000 0.405 109 E N 0.246 120.282 120.200 -0.273 0.000 2.216 109 E HA -0.021 4.329 4.350 0.000 0.000 0.192 109 E C -0.574 176.059 176.600 0.055 0.000 0.988 109 E CA 0.786 57.130 56.400 -0.093 0.000 0.834 109 E CB 0.218 29.863 29.700 -0.092 0.000 0.772 109 E HN 0.655 nan 8.360 nan 0.000 0.479 110 D N -0.313 120.026 120.400 -0.102 0.000 2.619 110 D HA 0.129 4.770 4.640 0.000 0.000 0.241 110 D C 0.967 177.039 176.300 -0.380 0.000 1.087 110 D CA -0.522 53.422 54.000 -0.095 0.000 0.851 110 D CB 2.036 42.775 40.800 -0.101 0.000 1.474 110 D HN -0.179 nan 8.370 nan 0.000 0.478 111 I N 1.051 121.286 120.570 -0.557 0.000 2.335 111 I HA -0.220 3.950 4.170 0.000 0.000 0.251 111 I C 1.926 177.937 176.117 -0.177 0.000 1.129 111 I CA 1.487 62.406 61.300 -0.634 0.000 1.402 111 I CB -0.378 37.059 38.000 -0.939 0.000 1.069 111 I HN 0.249 nan 8.210 nan 0.000 0.424 112 K N 0.514 120.814 120.400 -0.167 0.000 2.525 112 K HA 0.170 4.490 4.320 0.000 0.000 0.192 112 K C 0.949 177.551 176.600 0.004 0.000 1.029 112 K CA 0.564 56.822 56.287 -0.048 0.000 1.029 112 K CB 0.052 32.508 32.500 -0.073 0.000 0.814 112 K HN 0.471 nan 8.250 nan 0.000 0.503 113 G N 2.288 110.976 108.800 -0.188 0.000 2.610 113 G HA2 -0.164 3.796 3.960 0.000 0.000 0.304 113 G HA3 -0.164 3.796 3.960 0.000 0.000 0.304 113 G C -2.839 171.944 174.900 -0.194 0.000 1.309 113 G CA -1.099 43.827 45.100 -0.291 0.000 0.906 113 G HN -0.009 nan 8.290 nan 0.000 0.521 114 P HA 0.427 nan 4.420 nan 0.000 0.275 114 P C -0.846 176.383 177.300 -0.118 0.000 1.227 114 P CA 0.009 63.094 63.100 -0.025 0.000 0.781 114 P CB 0.469 32.184 31.700 0.025 0.000 0.906 115 W N 1.162 122.519 121.300 0.094 0.000 2.438 115 W HA 0.307 4.967 4.660 0.000 0.000 0.324 115 W C 0.872 177.542 176.519 0.251 0.000 1.119 115 W CA -0.063 57.362 57.345 0.134 0.000 1.221 115 W CB 0.974 30.457 29.460 0.040 0.000 1.253 115 W HN 0.322 nan 8.180 nan 0.000 0.555 116 S N 2.014 117.944 115.700 0.383 0.000 2.579 116 S HA 0.285 4.755 4.470 0.000 0.000 0.275 116 S C 0.056 174.818 174.600 0.271 0.000 1.345 116 S CA -0.811 57.536 58.200 0.246 0.000 1.031 116 S CB 0.601 63.884 63.200 0.140 0.000 0.892 116 S HN 0.444 nan 8.310 nan 0.000 0.529 117 K N 2.359 122.811 120.400 0.088 0.000 2.485 117 K HA 0.148 4.468 4.320 0.000 0.000 0.277 117 K C -2.167 174.485 176.600 0.087 0.000 0.990 117 K CA -0.990 55.277 56.287 -0.033 0.000 0.994 117 K CB -0.199 32.267 32.500 -0.057 0.000 0.906 117 K HN 0.547 nan 8.250 nan 0.000 0.488 118 P HA 0.103 nan 4.420 nan 0.000 0.271 118 P C -0.516 176.898 177.300 0.191 0.000 1.216 118 P CA 0.156 63.378 63.100 0.203 0.000 0.776 118 P CB 0.552 32.346 31.700 0.156 0.000 0.881 119 I N 3.210 123.912 120.570 0.221 0.000 2.321 119 I HA 0.159 4.329 4.170 0.000 0.000 0.291 119 I C 0.555 176.778 176.117 0.176 0.000 0.998 119 I CA -1.099 60.315 61.300 0.190 0.000 1.227 119 I CB 1.278 39.397 38.000 0.199 0.000 1.368 119 I HN 0.200 nan 8.210 nan 0.000 0.466 120 L N 7.726 129.023 121.223 0.123 0.000 2.313 120 L HA 0.249 4.590 4.340 0.000 0.000 0.282 120 L C 0.206 177.025 176.870 -0.085 0.000 1.092 120 L CA 0.566 55.341 54.840 -0.108 0.000 0.831 120 L CB 0.587 42.585 42.059 -0.101 0.000 1.159 120 L HN 0.619 nan 8.230 nan 0.000 0.442 121 L N 3.983 125.112 121.223 -0.156 0.000 2.185 121 L HA 0.295 4.635 4.340 0.000 0.000 0.198 121 L C 0.343 177.187 176.870 -0.044 0.000 1.079 121 L CA 0.293 55.103 54.840 -0.049 0.000 0.780 121 L CB -0.231 41.786 42.059 -0.071 0.000 0.955 121 L HN 0.899 nan 8.230 nan 0.000 0.462 122 N N -1.730 116.912 118.700 -0.096 0.000 3.373 122 N HA 0.167 4.907 4.740 0.000 0.000 0.275 122 N C -0.342 175.110 175.510 -0.096 0.000 1.489 122 N CA 0.098 53.113 53.050 -0.057 0.000 0.872 122 N CB 0.920 39.399 38.487 -0.014 0.000 1.555 122 N HN -0.090 nan 8.380 nan 0.000 0.500 123 G N -2.059 106.680 108.800 -0.102 0.000 4.213 123 G HA2 0.480 4.440 3.960 0.000 0.000 0.274 123 G HA3 0.480 4.440 3.960 0.000 0.000 0.274 123 G C 0.668 175.449 174.900 -0.199 0.000 1.033 123 G CA 0.491 45.472 45.100 -0.198 0.000 0.822 123 G HN 0.833 nan 8.290 nan 0.000 0.432 124 A N -0.105 122.625 122.820 -0.151 0.000 2.067 124 A HA 0.562 4.883 4.320 0.000 0.000 0.219 124 A C 1.360 178.779 177.584 -0.275 0.000 1.158 124 A CA 1.519 53.418 52.037 -0.230 0.000 0.661 124 A CB -0.086 18.843 19.000 -0.119 0.000 0.801 124 A HN 1.414 nan 8.150 nan 0.000 0.452 125 G N -2.324 106.355 108.800 -0.201 0.000 2.466 125 G HA2 0.467 4.427 3.960 0.000 0.000 0.291 125 G HA3 0.467 4.427 3.960 0.000 0.000 0.291 125 G C -0.404 174.372 174.900 -0.208 0.000 1.460 125 G CA -0.421 44.508 45.100 -0.284 0.000 0.791 125 G HN 0.545 nan 8.290 nan 0.000 0.505 126 F N -0.988 118.969 119.950 0.012 0.000 2.291 126 F HA 0.720 5.247 4.527 0.000 0.000 0.305 126 F C 0.585 176.485 175.800 0.166 0.000 1.171 126 F CA -0.351 57.693 58.000 0.073 0.000 1.090 126 F CB 0.200 39.283 39.000 0.137 0.000 1.436 126 F HN 0.417 nan 8.300 nan 0.000 0.509 127 D N -0.782 119.901 120.400 0.473 0.000 2.746 127 D HA -0.125 4.515 4.640 0.000 0.000 0.236 127 D C -0.238 176.184 176.300 0.203 0.000 1.129 127 D CA 0.807 55.030 54.000 0.372 0.000 0.691 127 D CB -1.511 39.548 40.800 0.432 0.000 1.077 127 D HN 0.944 nan 8.370 nan 0.000 0.432 128 A N 0.040 122.965 122.820 0.175 0.000 2.440 128 A HA 0.553 4.873 4.320 0.000 0.000 0.251 128 A C 0.672 178.355 177.584 0.166 0.000 1.089 128 A CA 0.491 52.602 52.037 0.124 0.000 0.779 128 A CB 1.004 20.051 19.000 0.079 0.000 1.022 128 A HN 0.293 nan 8.150 nan 0.000 0.492 129 S N 1.300 117.092 115.700 0.153 0.000 2.548 129 S HA 0.539 5.009 4.470 0.000 0.000 0.276 129 S C -1.374 173.316 174.600 0.150 0.000 1.129 129 S CA -0.553 57.775 58.200 0.214 0.000 0.931 129 S CB 0.934 64.321 63.200 0.313 0.000 1.068 129 S HN 0.988 nan 8.310 nan 0.000 0.480 130 L N 5.045 126.339 121.223 0.118 0.000 2.282 130 L HA 0.728 5.068 4.340 0.000 0.000 0.288 130 L C -1.141 175.697 176.870 -0.054 0.000 1.033 130 L CA -0.378 54.446 54.840 -0.027 0.000 0.807 130 L CB 0.943 42.910 42.059 -0.153 0.000 1.209 130 L HN 0.695 nan 8.230 nan 0.000 0.423 131 F N 4.560 124.382 119.950 -0.212 0.000 2.444 131 F HA 0.452 4.979 4.527 0.000 0.000 0.342 131 F C -0.412 175.247 175.800 -0.236 0.000 1.121 131 F CA -0.442 57.481 58.000 -0.128 0.000 0.997 131 F CB 0.783 39.808 39.000 0.042 0.000 1.130 131 F HN 0.483 nan 8.300 nan 0.000 0.454 132 H N 4.723 123.324 119.070 -0.782 0.000 2.818 132 H HA 0.124 4.680 4.556 0.000 0.000 0.269 132 H C -0.706 174.067 175.328 -0.925 0.000 1.277 132 H CA -0.444 55.200 56.048 -0.673 0.000 1.290 132 H CB 0.583 30.069 29.762 -0.459 0.000 1.479 132 H HN 0.679 nan 8.280 nan 0.000 0.507 133 D N 4.321 124.326 120.400 -0.659 0.000 2.414 133 D HA 0.013 4.654 4.640 0.000 0.000 0.242 133 D C -0.996 175.187 176.300 -0.195 0.000 1.129 133 D CA -1.398 52.392 54.000 -0.351 0.000 0.885 133 D CB 1.392 42.332 40.800 0.233 0.000 1.198 133 D HN 0.212 nan 8.370 nan 0.000 0.437 134 P HA -0.183 nan 4.420 nan 0.000 0.221 134 P C 0.947 178.180 177.300 -0.112 0.000 1.145 134 P CA 0.867 63.842 63.100 -0.209 0.000 0.795 134 P CB -0.086 31.362 31.700 -0.421 0.000 0.775 135 S N -1.346 114.320 115.700 -0.057 0.000 2.474 135 S HA 0.099 4.569 4.470 0.000 0.000 0.235 135 S C 1.842 176.435 174.600 -0.012 0.000 0.997 135 S CA 1.075 59.271 58.200 -0.006 0.000 0.949 135 S CB -1.276 61.958 63.200 0.056 0.000 0.766 135 S HN 0.334 nan 8.310 nan 0.000 0.517 136 G N 0.798 109.578 108.800 -0.033 0.000 2.213 136 G HA2 -0.242 3.718 3.960 0.000 0.000 0.236 136 G HA3 -0.242 3.718 3.960 0.000 0.000 0.236 136 G C 0.054 174.923 174.900 -0.051 0.000 0.991 136 G CA 0.086 45.163 45.100 -0.039 0.000 0.629 136 G HN 0.594 nan 8.290 nan 0.000 0.517 137 K N 0.758 121.133 120.400 -0.042 0.000 2.258 137 K HA 0.466 4.786 4.320 0.000 0.000 0.264 137 K C 0.080 176.567 176.600 -0.188 0.000 1.007 137 K CA 0.055 56.267 56.287 -0.126 0.000 0.941 137 K CB 0.449 32.871 32.500 -0.129 0.000 0.966 137 K HN 0.031 nan 8.250 nan 0.000 0.480 138 K N 2.181 122.392 120.400 -0.315 0.000 2.259 138 K HA 0.383 4.703 4.320 0.000 0.000 0.252 138 K C -0.973 175.392 176.600 -0.392 0.000 0.936 138 K CA -0.639 55.479 56.287 -0.282 0.000 0.810 138 K CB 1.248 33.647 32.500 -0.169 0.000 1.143 138 K HN 0.445 nan 8.250 nan 0.000 0.427 139 Y N 0.477 120.797 120.300 0.033 0.000 2.477 139 Y HA 0.421 4.971 4.550 0.000 0.000 0.347 139 Y C -0.472 175.477 175.900 0.082 0.000 0.981 139 Y CA -1.099 57.069 58.100 0.114 0.000 1.033 139 Y CB 1.948 40.518 38.460 0.183 0.000 1.245 139 Y HN 0.370 nan 8.280 nan 0.000 0.455 140 L N 4.289 125.647 121.223 0.225 0.000 2.307 140 L HA 0.799 5.139 4.340 0.000 0.000 0.284 140 L C -0.783 176.171 176.870 0.141 0.000 1.023 140 L CA -0.732 54.191 54.840 0.138 0.000 0.810 140 L CB 1.273 43.384 42.059 0.086 0.000 1.231 140 L HN 0.481 nan 8.230 nan 0.000 0.423 141 V N 2.246 122.222 119.914 0.102 0.000 2.667 141 V HA 0.862 4.982 4.120 0.000 0.000 0.308 141 V C -0.800 175.331 176.094 0.061 0.000 1.048 141 V CA -0.502 61.835 62.300 0.062 0.000 0.928 141 V CB 1.645 33.468 31.823 0.000 0.000 1.004 141 V HN 1.001 nan 8.190 nan 0.000 0.444 142 N N 1.964 120.699 118.700 0.058 0.000 2.708 142 N HA 0.660 5.400 4.740 0.000 0.000 0.257 142 N C -0.654 174.879 175.510 0.038 0.000 1.373 142 N CA -1.059 52.018 53.050 0.045 0.000 0.843 142 N CB 1.396 39.905 38.487 0.036 0.000 1.503 142 N HN 0.965 nan 8.380 nan 0.000 0.504 143 M N -0.921 118.662 119.600 -0.027 0.000 2.232 143 M HA 0.397 4.877 4.480 0.000 0.000 0.321 143 M C -1.058 175.236 176.300 -0.010 0.000 1.101 143 M CA 0.078 55.355 55.300 -0.039 0.000 1.181 143 M CB 0.139 32.650 32.600 -0.148 0.000 1.432 143 M HN 0.621 nan 8.290 nan 0.000 0.457 144 Y N 2.179 122.436 120.300 -0.073 0.000 2.328 144 Y HA 0.397 4.947 4.550 0.000 0.000 0.336 144 Y C -1.543 174.324 175.900 -0.055 0.000 0.960 144 Y CA -0.698 57.385 58.100 -0.029 0.000 1.134 144 Y CB 0.968 39.465 38.460 0.061 0.000 1.166 144 Y HN 0.823 nan 8.280 nan 0.000 0.464 145 W N 7.806 128.824 121.300 -0.469 0.000 2.322 145 W HA 0.249 4.909 4.660 0.000 0.000 0.307 145 W C -1.114 175.215 176.519 -0.317 0.000 1.220 145 W CA -0.272 56.843 57.345 -0.382 0.000 1.210 145 W CB 1.315 30.577 29.460 -0.329 0.000 1.223 145 W HN 0.593 nan 8.180 nan 0.000 0.511 146 D N 5.370 125.361 120.400 -0.680 0.000 2.414 146 D HA -0.007 4.633 4.640 0.000 0.000 0.232 146 D C 1.294 177.197 176.300 -0.661 0.000 1.070 146 D CA -0.142 53.576 54.000 -0.470 0.000 0.839 146 D CB 1.381 42.034 40.800 -0.245 0.000 1.079 146 D HN 0.435 nan 8.370 nan 0.000 0.521 147 Q N 3.824 123.402 119.800 -0.371 0.000 2.378 147 Q HA -0.039 4.301 4.340 0.000 0.000 0.205 147 Q C -0.038 175.685 176.000 -0.462 0.000 0.954 147 Q CA 0.434 56.007 55.803 -0.383 0.000 0.901 147 Q CB -0.131 28.178 28.738 -0.714 0.000 0.981 147 Q HN 0.405 nan 8.270 nan 0.000 0.483 148 R N 1.428 121.656 120.500 -0.454 0.000 2.538 148 R HA 0.030 4.371 4.340 0.000 0.000 0.282 148 R C 1.588 177.441 176.300 -0.744 0.000 1.009 148 R CA 0.471 56.177 56.100 -0.657 0.000 1.063 148 R CB 0.740 30.558 30.300 -0.804 0.000 0.945 148 R HN 0.193 nan 8.270 nan 0.000 0.414 149 V N 1.509 121.018 119.914 -0.675 0.000 2.970 149 V HA -0.159 3.962 4.120 0.000 0.000 0.260 149 V C 1.105 177.041 176.094 -0.264 0.000 1.100 149 V CA 0.982 63.071 62.300 -0.352 0.000 1.122 149 V CB -0.766 30.949 31.823 -0.180 0.000 0.721 149 V HN 0.863 nan 8.190 nan 0.000 0.483 150 Y N -0.523 119.699 120.300 -0.130 0.000 2.466 150 Y HA 0.498 5.048 4.550 0.000 0.000 0.272 150 Y C 1.108 177.014 175.900 0.011 0.000 1.169 150 Y CA -1.331 56.718 58.100 -0.086 0.000 1.285 150 Y CB -1.472 36.908 38.460 -0.133 0.000 1.078 150 Y HN 0.362 nan 8.280 nan 0.000 0.523 151 H N -0.621 118.361 119.070 -0.147 0.000 2.573 151 H HA 0.247 4.803 4.556 0.000 0.000 0.351 151 H C -0.711 174.585 175.328 -0.054 0.000 1.163 151 H CA -1.326 54.697 56.048 -0.042 0.000 1.205 151 H CB 1.083 30.794 29.762 -0.084 0.000 1.605 151 H HN 0.112 nan 8.280 nan 0.000 0.525 152 H N 0.852 119.930 119.070 0.013 0.000 2.897 152 H HA -0.034 4.522 4.556 0.000 0.000 0.347 152 H C 0.281 175.535 175.328 -0.124 0.000 1.068 152 H CA 0.506 56.506 56.048 -0.080 0.000 1.426 152 H CB 0.566 30.250 29.762 -0.130 0.000 1.410 152 H HN 0.623 nan 8.280 nan 0.000 0.597 153 N N 2.654 120.968 118.700 -0.645 0.000 2.494 153 N HA -0.024 4.716 4.740 0.000 0.000 0.182 153 N C -0.675 174.269 175.510 -0.943 0.000 1.076 153 N CA 0.134 52.591 53.050 -0.989 0.000 0.908 153 N CB 0.254 37.753 38.487 -1.647 0.000 0.967 153 N HN 0.314 nan 8.380 nan 0.000 0.449 154 F N 0.396 119.857 119.950 -0.816 0.000 2.351 154 F HA 0.169 4.696 4.527 0.000 0.000 0.362 154 F C 0.486 176.226 175.800 -0.101 0.000 1.131 154 F CA -0.933 56.860 58.000 -0.344 0.000 1.187 154 F CB 0.015 38.893 39.000 -0.203 0.000 1.434 154 F HN 0.050 nan 8.300 nan 0.000 0.553 155 Y N 1.849 122.099 120.300 -0.083 0.000 2.529 155 Y HA 0.391 4.942 4.550 0.000 0.000 0.290 155 Y C 1.217 177.110 175.900 -0.012 0.000 1.177 155 Y CA 0.601 58.679 58.100 -0.035 0.000 1.305 155 Y CB -0.177 38.312 38.460 0.049 0.000 1.047 155 Y HN 0.620 nan 8.280 nan 0.000 0.522 156 G N 0.023 108.885 108.800 0.103 0.000 2.298 156 G HA2 -0.010 3.950 3.960 0.000 0.000 0.309 156 G HA3 -0.010 3.950 3.960 0.000 0.000 0.309 156 G C -1.753 173.214 174.900 0.111 0.000 1.279 156 G CA -0.544 44.572 45.100 0.026 0.000 1.042 156 G HN -0.061 nan 8.290 nan 0.000 0.480 157 I N 1.601 122.225 120.570 0.090 0.000 2.378 157 I HA 0.685 4.855 4.170 0.000 0.000 0.291 157 I C 0.881 177.035 176.117 0.062 0.000 0.992 157 I CA -0.791 60.564 61.300 0.091 0.000 1.154 157 I CB 0.756 38.804 38.000 0.081 0.000 1.315 157 I HN 1.118 nan 8.210 nan 0.000 0.448 158 A N 6.765 129.636 122.820 0.085 0.000 2.306 158 A HA 0.763 5.083 4.320 0.000 0.000 0.314 158 A C -0.875 176.751 177.584 0.069 0.000 1.164 158 A CA -0.428 51.651 52.037 0.070 0.000 0.822 158 A CB 1.190 20.281 19.000 0.152 0.000 1.130 158 A HN 0.610 nan 8.150 nan 0.000 0.496 159 L N 1.026 122.291 121.223 0.070 0.000 2.365 159 L HA 0.677 5.017 4.340 0.000 0.000 0.273 159 L C -0.462 176.500 176.870 0.153 0.000 1.000 159 L CA 0.061 54.959 54.840 0.095 0.000 0.819 159 L CB 1.926 44.011 42.059 0.045 0.000 1.284 159 L HN 0.842 nan 8.230 nan 0.000 0.418 160 Q N 2.236 122.162 119.800 0.210 0.000 2.353 160 Q HA 0.301 4.641 4.340 0.000 0.000 0.275 160 Q C -1.540 174.615 176.000 0.257 0.000 1.029 160 Q CA -0.703 55.231 55.803 0.218 0.000 0.848 160 Q CB 2.386 31.215 28.738 0.152 0.000 1.390 160 Q HN 0.728 nan 8.270 nan 0.000 0.401 161 E N 1.655 121.956 120.200 0.168 0.000 2.360 161 E HA 0.023 4.373 4.350 0.000 0.000 0.269 161 E C -1.536 175.048 176.600 -0.027 0.000 1.022 161 E CA -0.052 56.265 56.400 -0.138 0.000 0.887 161 E CB 0.623 30.188 29.700 -0.225 0.000 0.990 161 E HN 0.430 nan 8.360 nan 0.000 0.426 162 Y N 3.467 123.655 120.300 -0.187 0.000 2.328 162 Y HA 0.227 4.778 4.550 0.000 0.000 0.337 162 Y C -0.482 175.353 175.900 -0.108 0.000 1.008 162 Y CA -0.695 57.346 58.100 -0.098 0.000 1.129 162 Y CB 1.461 39.881 38.460 -0.067 0.000 1.185 162 Y HN 0.377 nan 8.280 nan 0.000 0.476 163 S N 5.411 120.688 115.700 -0.706 0.000 2.430 163 S HA 0.243 4.713 4.470 0.000 0.000 0.289 163 S C 0.703 174.814 174.600 -0.816 0.000 1.143 163 S CA -0.596 57.263 58.200 -0.569 0.000 1.067 163 S CB 0.451 63.453 63.200 -0.330 0.000 0.964 163 S HN 0.732 nan 8.310 nan 0.000 0.485 164 V N 5.956 125.612 119.914 -0.430 0.000 2.343 164 V HA -0.161 3.959 4.120 0.000 0.000 0.247 164 V C 2.731 178.773 176.094 -0.087 0.000 1.051 164 V CA 2.354 64.580 62.300 -0.123 0.000 1.036 164 V CB -1.286 30.612 31.823 0.125 0.000 0.654 164 V HN 0.959 nan 8.190 nan 0.000 0.451 165 A N -0.340 122.421 122.820 -0.098 0.000 1.902 165 A HA -0.213 4.108 4.320 0.000 0.000 0.217 165 A C 2.075 179.620 177.584 -0.065 0.000 1.181 165 A CA 1.809 53.812 52.037 -0.056 0.000 0.623 165 A CB -0.357 18.613 19.000 -0.051 0.000 0.818 165 A HN 0.648 nan 8.150 nan 0.000 0.443 166 E N -0.542 119.588 120.200 -0.116 0.000 2.479 166 E HA 0.082 4.432 4.350 0.000 0.000 0.193 166 E C -0.673 175.879 176.600 -0.080 0.000 1.049 166 E CA 0.116 56.463 56.400 -0.088 0.000 0.870 166 E CB 0.049 29.694 29.700 -0.093 0.000 0.944 166 E HN 0.634 nan 8.360 nan 0.000 0.492 167 E N 1.246 121.368 120.200 -0.129 0.000 2.297 167 E HA -0.248 4.103 4.350 0.000 0.000 0.228 167 E C -0.527 176.121 176.600 0.079 0.000 1.213 167 E CA 0.830 57.240 56.400 0.017 0.000 0.712 167 E CB -1.554 28.220 29.700 0.123 0.000 1.202 167 E HN 0.359 nan 8.360 nan 0.000 0.376 168 K N -1.331 119.016 120.400 -0.087 0.000 2.607 168 K HA 0.544 4.865 4.320 0.000 0.000 0.287 168 K C -0.697 175.925 176.600 0.037 0.000 0.996 168 K CA -1.127 55.205 56.287 0.075 0.000 0.876 168 K CB 1.073 33.590 32.500 0.029 0.000 1.496 168 K HN -0.018 nan 8.250 nan 0.000 0.415 169 L N 2.582 123.900 121.223 0.158 0.000 2.426 169 L HA 0.373 4.713 4.340 0.000 0.000 0.271 169 L C 0.432 177.328 176.870 0.042 0.000 1.169 169 L CA -0.624 54.291 54.840 0.124 0.000 0.836 169 L CB 0.166 42.304 42.059 0.132 0.000 1.112 169 L HN 0.606 nan 8.230 nan 0.000 0.465 170 I N -0.803 119.779 120.570 0.021 0.000 2.910 170 I HA 0.913 5.083 4.170 0.000 0.000 0.310 170 I C 0.768 176.905 176.117 0.034 0.000 1.043 170 I CA -0.425 60.879 61.300 0.007 0.000 1.053 170 I CB 1.734 39.716 38.000 -0.030 0.000 1.242 170 I HN 0.720 nan 8.210 nan 0.000 0.452 171 G N 3.221 112.039 108.800 0.029 0.000 2.566 171 G HA2 -0.248 3.712 3.960 0.000 0.000 0.280 171 G HA3 -0.248 3.712 3.960 0.000 0.000 0.280 171 G C -0.493 174.437 174.900 0.049 0.000 1.225 171 G CA 0.665 45.789 45.100 0.040 0.000 0.966 171 G HN 1.254 nan 8.290 nan 0.000 0.560 172 K N -0.570 119.865 120.400 0.058 0.000 2.512 172 K HA 0.664 4.984 4.320 0.000 0.000 0.263 172 K C -3.325 173.318 176.600 0.072 0.000 0.966 172 K CA -2.046 54.279 56.287 0.062 0.000 0.851 172 K CB 2.486 35.016 32.500 0.049 0.000 1.395 172 K HN 0.345 nan 8.250 nan 0.000 0.440 173 P HA -0.003 nan 4.420 nan 0.000 0.264 173 P C -1.062 176.248 177.300 0.017 0.000 1.183 173 P CA 0.338 63.481 63.100 0.073 0.000 0.763 173 P CB 0.420 32.187 31.700 0.113 0.000 0.807 174 E N 2.838 123.053 120.200 0.026 0.000 2.248 174 E HA 0.345 4.695 4.350 0.000 0.000 0.267 174 E C -0.235 176.357 176.600 -0.012 0.000 0.877 174 E CA -0.754 55.648 56.400 0.003 0.000 0.759 174 E CB 1.620 31.348 29.700 0.046 0.000 1.182 174 E HN 0.268 nan 8.360 nan 0.000 0.418 175 I N 4.458 124.999 120.570 -0.050 0.000 2.379 175 I HA 0.095 4.265 4.170 0.000 0.000 0.290 175 I C 1.606 177.730 176.117 0.012 0.000 1.063 175 I CA 0.166 61.439 61.300 -0.045 0.000 1.351 175 I CB -0.094 37.857 38.000 -0.082 0.000 1.410 175 I HN 0.588 nan 8.210 nan 0.000 0.505 176 I N 4.254 124.854 120.570 0.049 0.000 3.941 176 I HA 0.242 4.412 4.170 0.000 0.000 0.321 176 I C -0.209 176.029 176.117 0.200 0.000 1.284 176 I CA 0.145 61.516 61.300 0.118 0.000 1.226 176 I CB 0.345 38.414 38.000 0.115 0.000 1.045 176 I HN 0.390 nan 8.210 nan 0.000 0.420 177 Y N 1.404 121.669 120.300 -0.058 0.000 2.474 177 Y HA 0.388 4.938 4.550 0.000 0.000 0.326 177 Y C -0.242 175.600 175.900 -0.096 0.000 1.160 177 Y CA -1.308 56.744 58.100 -0.080 0.000 1.056 177 Y CB 1.437 39.787 38.460 -0.184 0.000 1.330 177 Y HN -0.192 nan 8.280 nan 0.000 0.447 178 K N 3.490 123.570 120.400 -0.533 0.000 2.353 178 K HA 0.427 4.747 4.320 0.000 0.000 0.195 178 K C 0.695 176.928 176.600 -0.611 0.000 1.031 178 K CA 0.690 56.690 56.287 -0.479 0.000 1.079 178 K CB 0.421 32.698 32.500 -0.371 0.000 0.857 178 K HN 1.030 nan 8.250 nan 0.000 0.535 179 G N 1.471 109.533 108.800 -1.230 0.000 2.760 179 G HA2 -0.280 3.680 3.960 0.000 0.000 0.246 179 G HA3 -0.280 3.680 3.960 0.000 0.000 0.246 179 G C 0.036 174.630 174.900 -0.511 0.000 1.359 179 G CA -0.177 44.435 45.100 -0.812 0.000 0.861 179 G HN 0.252 nan 8.290 nan 0.000 0.541 180 T N -2.914 111.458 114.554 -0.304 0.000 2.880 180 T HA 0.570 4.920 4.350 0.000 0.000 0.279 180 T C 1.608 176.200 174.700 -0.179 0.000 0.990 180 T CA 0.798 62.730 62.100 -0.279 0.000 0.938 180 T CB 1.341 69.989 68.868 -0.367 0.000 1.206 180 T HN 1.136 nan 8.240 nan 0.000 0.573 181 D N 0.156 120.486 120.400 -0.116 0.000 2.263 181 D HA -0.133 4.507 4.640 0.000 0.000 0.208 181 D C 1.917 178.156 176.300 -0.102 0.000 0.971 181 D CA 0.869 54.813 54.000 -0.093 0.000 0.867 181 D CB -0.351 40.431 40.800 -0.030 0.000 0.929 181 D HN 0.636 nan 8.370 nan 0.000 0.492 182 I N 1.223 121.766 120.570 -0.044 0.000 2.394 182 I HA -0.093 4.078 4.170 0.000 0.000 0.251 182 I C 1.726 177.786 176.117 -0.095 0.000 1.136 182 I CA 0.702 61.968 61.300 -0.056 0.000 1.425 182 I CB -0.487 37.523 38.000 0.016 0.000 1.079 182 I HN 0.184 nan 8.210 nan 0.000 0.425 183 A N -0.147 122.610 122.820 -0.105 0.000 6.088 183 A HA -0.353 3.967 4.320 0.000 0.000 0.261 183 A C 0.486 178.078 177.584 0.013 0.000 2.138 183 A CA 0.753 52.708 52.037 -0.137 0.000 0.708 183 A CB -1.701 17.025 19.000 -0.457 0.000 1.068 183 A HN 0.492 nan 8.150 nan 0.000 0.364 184 Y N -1.223 119.088 120.300 0.017 0.000 3.054 184 Y HA -0.197 4.353 4.550 0.000 0.000 0.210 184 Y C 1.048 176.841 175.900 -0.178 0.000 1.212 184 Y CA 0.876 58.676 58.100 -0.501 0.000 1.118 184 Y CB -2.203 35.961 38.460 -0.493 0.000 1.292 184 Y HN 0.925 nan 8.280 nan 0.000 0.533 185 T N 1.507 116.186 114.554 0.209 0.000 2.769 185 T HA 0.326 4.676 4.350 0.000 0.000 0.293 185 T C 0.427 175.354 174.700 0.378 0.000 0.931 185 T CA 0.283 62.526 62.100 0.238 0.000 1.139 185 T CB 0.571 69.523 68.868 0.140 0.000 0.881 185 T HN 0.600 nan 8.240 nan 0.000 0.532 186 E N 1.520 121.903 120.200 0.306 0.000 2.391 186 E HA 0.583 4.933 4.350 0.000 0.000 0.256 186 E C 0.380 177.050 176.600 0.115 0.000 0.975 186 E CA -1.254 55.344 56.400 0.330 0.000 0.881 186 E CB 0.319 30.396 29.700 0.628 0.000 1.728 186 E HN 0.501 nan 8.360 nan 0.000 0.446 187 G N 1.562 110.410 108.800 0.079 0.000 2.390 187 G HA2 -0.196 3.764 3.960 0.000 0.000 0.299 187 G HA3 -0.196 3.764 3.960 0.000 0.000 0.299 187 G C -2.109 172.532 174.900 -0.431 0.000 1.002 187 G CA 0.324 45.241 45.100 -0.306 0.000 0.979 187 G HN 0.438 nan 8.290 nan 0.000 0.513 188 P HA 0.215 nan 4.420 nan 0.000 0.271 188 P C -0.368 176.679 177.300 -0.421 0.000 1.216 188 P CA 0.448 63.395 63.100 -0.255 0.000 0.771 188 P CB 0.879 32.513 31.700 -0.109 0.000 0.864 189 H N 1.879 120.924 119.070 -0.041 0.000 2.771 189 H HA 0.407 4.963 4.556 0.000 0.000 0.361 189 H C -0.129 174.992 175.328 -0.345 0.000 1.108 189 H CA -0.672 55.285 56.048 -0.151 0.000 1.201 189 H CB 1.458 31.172 29.762 -0.081 0.000 1.681 189 H HN 0.310 nan 8.280 nan 0.000 0.534 190 L N 3.118 124.140 121.223 -0.335 0.000 2.322 190 L HA 0.418 4.759 4.340 0.000 0.000 0.279 190 L C -0.846 175.676 176.870 -0.580 0.000 1.036 190 L CA -0.664 53.880 54.840 -0.493 0.000 0.807 190 L CB 0.780 42.315 42.059 -0.875 0.000 1.226 190 L HN 0.490 nan 8.230 nan 0.000 0.433 191 Y N 0.921 121.337 120.300 0.193 0.000 2.524 191 Y HA 0.323 4.873 4.550 0.000 0.000 0.347 191 Y C -0.953 175.181 175.900 0.390 0.000 1.005 191 Y CA -0.740 57.602 58.100 0.403 0.000 1.025 191 Y CB 1.805 40.480 38.460 0.359 0.000 1.275 191 Y HN 0.302 nan 8.280 nan 0.000 0.460 192 Y N 4.299 124.881 120.300 0.471 0.000 2.417 192 Y HA 0.741 5.291 4.550 0.000 0.000 0.336 192 Y C -1.187 174.816 175.900 0.171 0.000 0.961 192 Y CA -1.085 57.114 58.100 0.165 0.000 1.215 192 Y CB 0.273 38.805 38.460 0.120 0.000 1.120 192 Y HN 0.480 nan 8.280 nan 0.000 0.499 193 I N 4.948 125.386 120.570 -0.220 0.000 2.752 193 I HA 0.222 4.392 4.170 0.000 0.000 0.295 193 I C -0.519 175.413 176.117 -0.308 0.000 1.219 193 I CA -1.186 59.982 61.300 -0.219 0.000 1.030 193 I CB 2.107 39.884 38.000 -0.371 0.000 1.259 193 I HN 0.562 nan 8.210 nan 0.000 0.423 194 N N 3.567 122.068 118.700 -0.331 0.000 2.725 194 N HA -0.192 4.548 4.740 0.000 0.000 0.249 194 N C -0.532 174.794 175.510 -0.306 0.000 1.103 194 N CA 1.344 54.225 53.050 -0.281 0.000 0.707 194 N CB -1.000 37.338 38.487 -0.249 0.000 1.043 194 N HN 0.841 nan 8.380 nan 0.000 0.553 195 D N -1.975 118.148 120.400 -0.461 0.000 2.837 195 D HA -0.226 4.414 4.640 0.000 0.000 0.230 195 D C 0.695 176.676 176.300 -0.531 0.000 1.152 195 D CA 1.699 55.410 54.000 -0.481 0.000 0.736 195 D CB -1.175 39.551 40.800 -0.125 0.000 1.084 195 D HN 0.797 nan 8.370 nan 0.000 0.429 196 M N -3.105 116.044 119.600 -0.751 0.000 2.924 196 M HA 0.557 5.037 4.480 0.000 0.000 0.271 196 M C -1.529 174.461 176.300 -0.516 0.000 1.280 196 M CA -1.014 54.001 55.300 -0.475 0.000 0.813 196 M CB 1.767 34.182 32.600 -0.308 0.000 1.658 196 M HN -0.212 nan 8.290 nan 0.000 0.467 197 Y N 0.517 120.737 120.300 -0.135 0.000 2.328 197 Y HA 0.576 5.126 4.550 0.000 0.000 0.337 197 Y C -1.370 174.518 175.900 -0.020 0.000 1.008 197 Y CA -0.080 58.034 58.100 0.022 0.000 1.129 197 Y CB 1.183 39.643 38.460 0.000 0.000 1.185 197 Y HN 0.403 nan 8.280 nan 0.000 0.476 198 Y N 3.533 123.984 120.300 0.252 0.000 2.352 198 Y HA 0.473 5.023 4.550 0.000 0.000 0.339 198 Y C -0.745 175.280 175.900 0.208 0.000 0.992 198 Y CA -1.055 57.212 58.100 0.278 0.000 1.100 198 Y CB 1.556 40.198 38.460 0.303 0.000 1.192 198 Y HN 0.434 nan 8.280 nan 0.000 0.458 199 L N 5.437 126.750 121.223 0.149 0.000 2.294 199 L HA 0.578 4.918 4.340 0.000 0.000 0.283 199 L C -1.038 175.784 176.870 -0.080 0.000 1.015 199 L CA -0.672 54.055 54.840 -0.188 0.000 0.831 199 L CB 0.966 42.509 42.059 -0.859 0.000 1.217 199 L HN 0.753 nan 8.230 nan 0.000 0.420 200 M N 4.751 124.401 119.600 0.084 0.000 2.336 200 M HA 0.664 5.145 4.480 0.000 0.000 0.342 200 M C -0.808 175.516 176.300 0.041 0.000 1.128 200 M CA -0.215 55.171 55.300 0.142 0.000 1.016 200 M CB 1.641 34.450 32.600 0.348 0.000 1.665 200 M HN 0.806 nan 8.290 nan 0.000 0.445 201 T N 1.463 116.034 114.554 0.029 0.000 2.903 201 T HA 0.835 5.186 4.350 0.000 0.000 0.299 201 T C -0.666 174.039 174.700 0.008 0.000 1.093 201 T CA -1.015 61.090 62.100 0.009 0.000 1.002 201 T CB 1.644 70.572 68.868 0.101 0.000 1.127 201 T HN 0.765 nan 8.240 nan 0.000 0.488 202 A N 1.574 124.376 122.820 -0.030 0.000 2.327 202 A HA 0.736 5.056 4.320 0.000 0.000 0.283 202 A C 0.035 177.685 177.584 0.109 0.000 1.127 202 A CA -0.542 51.499 52.037 0.006 0.000 0.810 202 A CB 0.280 19.298 19.000 0.030 0.000 1.066 202 A HN 0.891 nan 8.150 nan 0.000 0.492 203 E N -0.416 119.855 120.200 0.120 0.000 2.413 203 E HA 0.534 4.884 4.350 0.000 0.000 0.277 203 E C 0.353 177.051 176.600 0.164 0.000 0.958 203 E CA -0.285 56.199 56.400 0.140 0.000 0.779 203 E CB 1.934 31.691 29.700 0.095 0.000 1.278 203 E HN 1.421 nan 8.360 nan 0.000 0.456 204 G N 0.603 109.500 108.800 0.161 0.000 2.217 204 G HA2 -0.104 3.856 3.960 0.000 0.000 0.246 204 G HA3 -0.104 3.856 3.960 0.000 0.000 0.246 204 G C 0.543 175.402 174.900 -0.068 0.000 0.990 204 G CA 0.049 45.214 45.100 0.108 0.000 0.627 204 G HN 1.362 nan 8.290 nan 0.000 0.522 205 G N -1.801 106.881 108.800 -0.197 0.000 2.716 205 G HA2 0.236 4.196 3.960 0.000 0.000 0.686 205 G HA3 0.236 4.196 3.960 0.000 0.000 0.686 205 G C 0.335 174.972 174.900 -0.438 0.000 1.337 205 G CA 0.733 45.515 45.100 -0.530 0.000 0.829 205 G HN 1.606 nan 8.290 nan 0.000 0.599 206 T N 0.794 115.000 114.554 -0.580 0.000 3.509 206 T HA 0.398 4.748 4.350 0.000 0.000 0.250 206 T C 1.686 176.165 174.700 -0.368 0.000 1.076 206 T CA 1.823 63.414 62.100 -0.847 0.000 0.966 206 T CB -1.179 67.311 68.868 -0.630 0.000 1.046 206 T HN 1.398 nan 8.240 nan 0.000 0.591 207 T N -2.167 112.255 114.554 -0.220 0.000 2.920 207 T HA 0.287 4.637 4.350 0.000 0.000 0.292 207 T C 0.936 175.533 174.700 -0.171 0.000 1.093 207 T CA -0.516 61.489 62.100 -0.158 0.000 0.944 207 T CB 0.010 68.849 68.868 -0.048 0.000 1.605 207 T HN 0.180 nan 8.240 nan 0.000 0.590 208 Y N 0.584 120.953 120.300 0.115 0.000 2.497 208 Y HA 0.028 4.579 4.550 0.000 0.000 0.292 208 Y C 2.869 178.947 175.900 0.296 0.000 1.137 208 Y CA 0.724 58.943 58.100 0.198 0.000 1.285 208 Y CB -0.466 38.103 38.460 0.181 0.000 0.991 208 Y HN 0.550 nan 8.280 nan 0.000 0.556 209 Q N -1.020 118.906 119.800 0.211 0.000 2.444 209 Q HA -0.037 4.304 4.340 0.000 0.000 0.206 209 Q C 0.194 176.214 176.000 0.033 0.000 0.948 209 Q CA -0.052 55.710 55.803 -0.068 0.000 0.946 209 Q CB -0.018 28.553 28.738 -0.278 0.000 1.027 209 Q HN 0.561 nan 8.270 nan 0.000 0.513 210 H N 0.486 119.564 119.070 0.013 0.000 2.929 210 H HA 0.084 4.640 4.556 0.000 0.000 0.358 210 H C -0.012 175.344 175.328 0.047 0.000 1.111 210 H CA 0.397 56.455 56.048 0.016 0.000 1.409 210 H CB 0.601 30.386 29.762 0.038 0.000 1.373 210 H HN 0.178 nan 8.280 nan 0.000 0.610 211 S N 2.575 118.268 115.700 -0.012 0.000 2.636 211 S HA 0.350 4.821 4.470 0.000 0.000 0.268 211 S C -1.374 173.139 174.600 -0.145 0.000 1.159 211 S CA -1.177 56.981 58.200 -0.070 0.000 0.815 211 S CB 2.647 65.860 63.200 0.022 0.000 1.130 211 S HN 0.684 nan 8.310 nan 0.000 0.471 212 E N -0.418 119.731 120.200 -0.085 0.000 2.292 212 E HA 0.746 5.096 4.350 0.000 0.000 0.272 212 E C -1.484 175.124 176.600 0.014 0.000 0.881 212 E CA -0.226 56.148 56.400 -0.044 0.000 0.754 212 E CB 2.408 32.074 29.700 -0.056 0.000 1.201 212 E HN 0.745 nan 8.360 nan 0.000 0.425 213 T N 3.122 117.707 114.554 0.051 0.000 2.906 213 T HA 0.599 4.949 4.350 0.000 0.000 0.295 213 T C -0.850 173.896 174.700 0.077 0.000 1.061 213 T CA -0.519 61.624 62.100 0.073 0.000 1.000 213 T CB 0.814 69.743 68.868 0.103 0.000 1.103 213 T HN 0.492 nan 8.240 nan 0.000 0.486 214 I N 1.343 121.967 120.570 0.090 0.000 2.740 214 I HA 0.820 4.990 4.170 0.000 0.000 0.303 214 I C -0.978 175.263 176.117 0.207 0.000 1.044 214 I CA -0.706 60.697 61.300 0.173 0.000 1.064 214 I CB 1.496 39.661 38.000 0.275 0.000 1.249 214 I HN 0.796 nan 8.210 nan 0.000 0.433 215 A N 6.091 129.049 122.820 0.230 0.000 2.556 215 A HA 0.901 5.221 4.320 0.000 0.000 0.294 215 A C -1.344 176.436 177.584 0.327 0.000 1.091 215 A CA -0.716 51.487 52.037 0.277 0.000 0.704 215 A CB 1.826 20.803 19.000 -0.038 0.000 1.300 215 A HN 0.765 nan 8.150 nan 0.000 0.406 216 R N -0.253 120.395 120.500 0.246 0.000 2.740 216 R HA 0.868 5.208 4.340 0.000 0.000 0.273 216 R C -1.210 174.933 176.300 -0.261 0.000 0.998 216 R CA -0.365 55.618 56.100 -0.197 0.000 0.900 216 R CB 1.834 31.632 30.300 -0.837 0.000 1.223 216 R HN 0.895 nan 8.270 nan 0.000 0.466 217 S N 0.014 115.447 115.700 -0.445 0.000 2.537 217 S HA 0.218 4.688 4.470 0.000 0.000 0.270 217 S C -0.037 174.402 174.600 -0.268 0.000 1.142 217 S CA -0.871 57.013 58.200 -0.527 0.000 0.870 217 S CB 2.116 64.589 63.200 -1.211 0.000 1.112 217 S HN 0.815 nan 8.310 nan 0.000 0.466 218 K N 0.918 121.209 120.400 -0.182 0.000 2.097 218 K HA -0.023 4.297 4.320 0.000 0.000 0.205 218 K C 0.788 177.455 176.600 0.111 0.000 1.050 218 K CA 1.681 57.942 56.287 -0.044 0.000 0.938 218 K CB -0.289 32.184 32.500 -0.045 0.000 0.718 218 K HN 0.808 nan 8.250 nan 0.000 0.442 219 T N -3.105 111.429 114.554 -0.033 0.000 2.942 219 T HA 0.255 4.606 4.350 0.000 0.000 0.289 219 T C 1.072 175.440 174.700 -0.553 0.000 1.044 219 T CA -0.862 61.171 62.100 -0.113 0.000 1.023 219 T CB 1.434 70.264 68.868 -0.063 0.000 1.123 219 T HN 0.073 nan 8.240 nan 0.000 0.512 220 I N 0.353 120.259 120.570 -1.107 0.000 2.454 220 I HA -0.151 4.020 4.170 0.000 0.000 0.254 220 I C 1.782 177.498 176.117 -0.669 0.000 1.156 220 I CA 1.152 61.693 61.300 -1.265 0.000 1.433 220 I CB -0.090 37.011 38.000 -1.498 0.000 1.082 220 I HN 0.687 nan 8.210 nan 0.000 0.432 221 H N 0.995 119.891 119.070 -0.289 0.000 2.547 221 H HA 0.194 4.750 4.556 0.000 0.000 0.272 221 H C 1.319 176.618 175.328 -0.049 0.000 0.989 221 H CA 0.795 56.771 56.048 -0.121 0.000 1.214 221 H CB -0.313 29.385 29.762 -0.106 0.000 1.389 221 H HN 0.499 nan 8.280 nan 0.000 0.577 222 G N 1.552 110.251 108.800 -0.168 0.000 2.681 222 G HA2 -0.210 3.750 3.960 0.000 0.000 0.220 222 G HA3 -0.210 3.750 3.960 0.000 0.000 0.220 222 G C -2.318 172.505 174.900 -0.128 0.000 1.353 222 G CA -0.495 44.443 45.100 -0.270 0.000 0.872 222 G HN 0.214 nan 8.290 nan 0.000 0.557 223 P HA 0.447 nan 4.420 nan 0.000 0.274 223 P C -1.075 176.159 177.300 -0.110 0.000 1.231 223 P CA -0.007 63.094 63.100 0.001 0.000 0.790 223 P CB 0.390 32.107 31.700 0.028 0.000 0.951 224 Y N -0.201 120.122 120.300 0.038 0.000 2.320 224 Y HA 0.229 4.780 4.550 0.000 0.000 0.334 224 Y C 1.288 177.234 175.900 0.076 0.000 1.055 224 Y CA -0.239 57.867 58.100 0.010 0.000 1.143 224 Y CB 1.048 39.449 38.460 -0.098 0.000 1.193 224 Y HN 0.395 nan 8.280 nan 0.000 0.477 225 E N 3.863 124.172 120.200 0.182 0.000 2.259 225 E HA 0.308 4.658 4.350 0.000 0.000 0.281 225 E C -0.879 175.899 176.600 0.296 0.000 1.037 225 E CA -0.379 56.153 56.400 0.220 0.000 0.854 225 E CB 0.591 30.430 29.700 0.232 0.000 1.051 225 E HN 0.579 nan 8.360 nan 0.000 0.409 226 I N 4.501 125.161 120.570 0.149 0.000 2.519 226 I HA -0.021 4.149 4.170 0.000 0.000 0.287 226 I C 0.773 176.737 176.117 -0.255 0.000 1.047 226 I CA -0.297 61.005 61.300 0.004 0.000 1.381 226 I CB 1.081 39.011 38.000 -0.116 0.000 1.417 226 I HN 0.587 nan 8.210 nan 0.000 0.540 227 Q N 8.173 127.612 119.800 -0.601 0.000 2.349 227 Q HA 0.062 4.402 4.340 0.000 0.000 0.287 227 Q C -1.992 173.630 176.000 -0.631 0.000 1.044 227 Q CA -1.128 53.852 55.803 -1.371 0.000 0.918 227 Q CB 0.338 28.452 28.738 -1.040 0.000 1.242 227 Q HN 0.396 nan 8.270 nan 0.000 0.405 228 P HA -0.186 nan 4.420 nan 0.000 0.217 228 P C 0.183 177.421 177.300 -0.103 0.000 1.150 228 P CA 1.486 64.451 63.100 -0.225 0.000 0.832 228 P CB -0.006 31.586 31.700 -0.181 0.000 0.787 229 D N -0.532 119.757 120.400 -0.185 0.000 2.460 229 D HA -0.043 4.598 4.640 0.000 0.000 0.229 229 D C 0.540 176.755 176.300 -0.142 0.000 1.170 229 D CA -1.034 52.877 54.000 -0.148 0.000 0.827 229 D CB -1.577 39.137 40.800 -0.143 0.000 0.973 229 D HN 0.298 nan 8.370 nan 0.000 0.496 230 Y N 0.323 120.523 120.300 -0.167 0.000 2.578 230 Y HA 0.388 4.938 4.550 0.000 0.000 0.339 230 Y C -2.187 173.672 175.900 -0.069 0.000 1.231 230 Y CA -2.089 55.938 58.100 -0.122 0.000 1.461 230 Y CB -0.264 38.131 38.460 -0.108 0.000 1.323 230 Y HN -0.162 nan 8.280 nan 0.000 0.590 231 P HA 0.029 nan 4.420 nan 0.000 0.279 231 P C 0.444 177.736 177.300 -0.014 0.000 1.252 231 P CA -0.593 62.541 63.100 0.058 0.000 0.811 231 P CB 1.784 33.512 31.700 0.047 0.000 1.035 232 L N 1.929 123.145 121.223 -0.012 0.000 2.013 232 L HA -0.043 4.297 4.340 0.000 0.000 0.212 232 L C 0.620 177.445 176.870 -0.075 0.000 1.073 232 L CA 2.060 56.866 54.840 -0.057 0.000 0.753 232 L CB -0.663 41.364 42.059 -0.053 0.000 0.890 232 L HN 0.398 nan 8.230 nan 0.000 0.432 233 L N -0.884 120.295 121.223 -0.073 0.000 2.464 233 L HA 0.642 4.982 4.340 0.000 0.000 0.266 233 L C -1.114 175.711 176.870 -0.075 0.000 0.965 233 L CA 0.177 54.949 54.840 -0.113 0.000 0.833 233 L CB 1.798 43.742 42.059 -0.191 0.000 1.296 233 L HN 0.038 nan 8.230 nan 0.000 0.405 234 S N 2.805 118.483 115.700 -0.038 0.000 2.602 234 S HA 0.658 5.128 4.470 0.000 0.000 0.301 234 S C -0.223 174.425 174.600 0.080 0.000 1.091 234 S CA 0.104 58.328 58.200 0.041 0.000 0.895 234 S CB 1.106 64.364 63.200 0.095 0.000 1.090 234 S HN 1.078 nan 8.310 nan 0.000 0.449 235 A N 3.325 126.223 122.820 0.129 0.000 2.379 235 A HA 0.252 4.572 4.320 0.000 0.000 0.236 235 A C 1.170 178.859 177.584 0.175 0.000 1.272 235 A CA -0.008 52.106 52.037 0.130 0.000 0.886 235 A CB -0.627 18.453 19.000 0.133 0.000 0.962 235 A HN 0.974 nan 8.150 nan 0.000 0.504 236 W N 1.483 122.815 121.300 0.053 0.000 2.321 236 W HA -0.192 4.468 4.660 0.000 0.000 0.306 236 W C 1.440 177.970 176.519 0.018 0.000 1.217 236 W CA 2.180 59.560 57.345 0.058 0.000 1.257 236 W CB 0.096 29.588 29.460 0.054 0.000 1.145 236 W HN 0.252 nan 8.180 nan 0.000 0.509 237 K N -0.153 120.141 120.400 -0.177 0.000 2.487 237 K HA -0.015 4.306 4.320 0.000 0.000 0.192 237 K C 0.007 176.447 176.600 -0.266 0.000 1.027 237 K CA 0.426 56.476 56.287 -0.395 0.000 1.054 237 K CB 0.062 32.441 32.500 -0.203 0.000 0.824 237 K HN -0.079 nan 8.250 nan 0.000 0.510 238 E N 1.538 121.643 120.200 -0.159 0.000 2.376 238 E HA 0.012 4.362 4.350 0.000 0.000 0.236 238 E C 0.797 177.320 176.600 -0.128 0.000 0.962 238 E CA -0.078 56.259 56.400 -0.105 0.000 0.768 238 E CB 1.459 31.141 29.700 -0.029 0.000 1.236 238 E HN -0.030 nan 8.360 nan 0.000 0.431 239 V N -0.339 119.427 119.914 -0.246 0.000 2.913 239 V HA -0.127 3.993 4.120 0.000 0.000 0.260 239 V C 1.057 176.902 176.094 -0.416 0.000 1.098 239 V CA 1.214 63.296 62.300 -0.364 0.000 1.121 239 V CB -0.506 31.026 31.823 -0.484 0.000 0.714 239 V HN 0.509 nan 8.190 nan 0.000 0.487 240 H N -0.091 118.953 119.070 -0.044 0.000 2.586 240 H HA 0.344 4.901 4.556 0.000 0.000 0.273 240 H C 0.519 175.849 175.328 0.002 0.000 0.997 240 H CA -0.214 55.820 56.048 -0.024 0.000 1.177 240 H CB -0.060 29.684 29.762 -0.029 0.000 1.471 240 H HN 0.490 nan 8.280 nan 0.000 0.538 241 N N 2.455 121.203 118.700 0.081 0.000 2.458 241 N HA -0.023 4.718 4.740 0.000 0.000 0.258 241 N C -1.556 174.015 175.510 0.102 0.000 1.219 241 N CA -1.211 51.891 53.050 0.086 0.000 0.902 241 N CB 1.337 39.869 38.487 0.075 0.000 1.076 241 N HN -0.063 nan 8.380 nan 0.000 0.455 242 P HA -0.093 nan 4.420 nan 0.000 0.216 242 P C -0.345 177.039 177.300 0.140 0.000 1.150 242 P CA 1.162 64.329 63.100 0.112 0.000 0.837 242 P CB 0.260 32.019 31.700 0.099 0.000 0.786 243 L N 0.044 121.354 121.223 0.145 0.000 2.276 243 L HA 0.226 4.566 4.340 0.000 0.000 0.286 243 L C 0.649 177.633 176.870 0.190 0.000 1.061 243 L CA -0.453 54.494 54.840 0.177 0.000 0.807 243 L CB 0.727 42.905 42.059 0.198 0.000 1.177 243 L HN 0.005 nan 8.230 nan 0.000 0.429 244 Q N 2.454 122.387 119.800 0.222 0.000 2.378 244 Q HA 0.359 4.699 4.340 0.000 0.000 0.276 244 Q C -0.326 175.811 176.000 0.229 0.000 1.083 244 Q CA -0.872 55.087 55.803 0.260 0.000 0.856 244 Q CB 1.968 30.939 28.738 0.389 0.000 1.383 244 Q HN 0.393 nan 8.270 nan 0.000 0.458 245 K N -0.734 119.800 120.400 0.224 0.000 3.071 245 K HA -0.156 4.164 4.320 0.000 0.000 0.265 245 K C -0.855 175.943 176.600 0.330 0.000 1.060 245 K CA 0.202 56.610 56.287 0.202 0.000 0.767 245 K CB -2.296 30.224 32.500 0.034 0.000 1.241 245 K HN 0.551 nan 8.250 nan 0.000 0.486 246 C N 1.135 120.567 119.300 0.221 0.000 2.464 246 C HA 0.615 5.075 4.460 0.000 0.000 0.370 246 C C 1.315 176.227 174.990 -0.131 0.000 1.267 246 C CA 0.330 59.422 59.018 0.122 0.000 1.781 246 C CB -0.085 27.646 27.740 -0.014 0.000 2.431 246 C HN 0.727 nan 8.230 nan 0.000 0.556 247 G N 0.811 109.478 108.800 -0.222 0.000 2.340 247 G HA2 0.457 4.418 3.960 0.000 0.000 0.299 247 G HA3 0.457 4.418 3.960 0.000 0.000 0.299 247 G C -0.688 174.105 174.900 -0.179 0.000 1.291 247 G CA -0.610 44.083 45.100 -0.678 0.000 0.841 247 G HN 0.791 nan 8.290 nan 0.000 0.500 248 H N -1.114 117.850 119.070 -0.177 0.000 2.680 248 H HA 0.046 4.602 4.556 0.000 0.000 0.328 248 H C 0.513 175.961 175.328 0.201 0.000 1.139 248 H CA 1.204 57.338 56.048 0.144 0.000 1.124 248 H CB -1.022 28.903 29.762 0.272 0.000 1.584 248 H HN 1.413 nan 8.280 nan 0.000 0.410 249 A N 1.678 124.619 122.820 0.202 0.000 2.256 249 A HA 0.804 5.124 4.320 0.000 0.000 0.318 249 A C 0.075 177.888 177.584 0.380 0.000 1.103 249 A CA 0.107 52.313 52.037 0.281 0.000 0.860 249 A CB 1.233 20.346 19.000 0.189 0.000 1.182 249 A HN 0.905 nan 8.150 nan 0.000 0.501 250 S N -0.365 115.531 115.700 0.326 0.000 2.536 250 S HA 0.611 5.081 4.470 0.000 0.000 0.271 250 S C -1.229 173.528 174.600 0.260 0.000 1.134 250 S CA -0.591 57.793 58.200 0.307 0.000 0.897 250 S CB 1.141 64.440 63.200 0.165 0.000 1.094 250 S HN 1.141 nan 8.310 nan 0.000 0.473 251 L N 2.552 123.913 121.223 0.229 0.000 2.317 251 L HA 0.885 5.225 4.340 0.000 0.000 0.281 251 L C -0.813 176.183 176.870 0.211 0.000 1.024 251 L CA -0.555 54.348 54.840 0.105 0.000 0.810 251 L CB 1.620 43.502 42.059 -0.296 0.000 1.240 251 L HN 0.807 nan 8.230 nan 0.000 0.427 252 V N 4.747 124.835 119.914 0.290 0.000 2.876 252 V HA 0.545 4.665 4.120 0.000 0.000 0.312 252 V C -1.029 175.120 176.094 0.091 0.000 1.085 252 V CA -0.504 61.947 62.300 0.250 0.000 0.945 252 V CB 2.147 34.169 31.823 0.330 0.000 1.017 252 V HN 0.922 nan 8.190 nan 0.000 0.428 253 E N 2.862 122.931 120.200 -0.219 0.000 2.171 253 E HA 0.543 4.893 4.350 0.000 0.000 0.271 253 E C -0.273 176.199 176.600 -0.213 0.000 0.916 253 E CA -0.466 55.514 56.400 -0.699 0.000 0.774 253 E CB 1.797 30.712 29.700 -1.308 0.000 1.128 253 E HN 0.923 nan 8.360 nan 0.000 0.403 254 T N 0.799 115.285 114.554 -0.114 0.000 2.816 254 T HA -0.010 4.340 4.350 0.000 0.000 0.282 254 T C 1.412 176.104 174.700 -0.013 0.000 0.993 254 T CA -0.440 61.713 62.100 0.088 0.000 0.994 254 T CB 1.191 70.145 68.868 0.144 0.000 1.025 254 T HN 0.571 nan 8.240 nan 0.000 0.529 255 Q N 1.123 120.942 119.800 0.032 0.000 2.291 255 Q HA -0.166 4.175 4.340 0.000 0.000 0.206 255 Q C 0.864 176.860 176.000 -0.007 0.000 0.976 255 Q CA 1.760 57.558 55.803 -0.008 0.000 0.875 255 Q CB -0.878 27.858 28.738 -0.003 0.000 0.927 255 Q HN 0.873 nan 8.270 nan 0.000 0.450 256 N N 0.090 118.794 118.700 0.007 0.000 2.235 256 N HA 0.277 5.017 4.740 0.000 0.000 0.209 256 N C 0.256 175.768 175.510 0.004 0.000 1.122 256 N CA 0.247 53.304 53.050 0.013 0.000 0.845 256 N CB 0.962 39.469 38.487 0.033 0.000 1.004 256 N HN 0.460 nan 8.380 nan 0.000 0.499 257 G N 0.904 109.672 108.800 -0.055 0.000 2.136 257 G HA2 -0.291 3.669 3.960 0.000 0.000 0.242 257 G HA3 -0.291 3.669 3.960 0.000 0.000 0.242 257 G C -0.131 174.735 174.900 -0.056 0.000 0.989 257 G CA -0.155 44.893 45.100 -0.087 0.000 0.682 257 G HN 0.340 nan 8.290 nan 0.000 0.522 258 Q N -1.480 118.303 119.800 -0.028 0.000 2.260 258 Q HA 0.592 4.932 4.340 0.000 0.000 0.238 258 Q C -0.519 175.448 176.000 -0.055 0.000 0.948 258 Q CA -0.390 55.470 55.803 0.096 0.000 0.895 258 Q CB 0.972 29.849 28.738 0.232 0.000 1.218 258 Q HN 0.380 nan 8.270 nan 0.000 0.470 259 W N 0.895 122.242 121.300 0.079 0.000 2.702 259 W HA 0.481 5.141 4.660 0.000 0.000 0.331 259 W C -1.114 175.278 176.519 -0.211 0.000 1.049 259 W CA -0.275 57.121 57.345 0.084 0.000 1.230 259 W CB 1.044 30.612 29.460 0.179 0.000 1.408 259 W HN 0.493 nan 8.180 nan 0.000 0.492 260 Y N 2.111 122.581 120.300 0.282 0.000 2.553 260 Y HA 0.649 5.199 4.550 0.000 0.000 0.347 260 Y C -0.947 175.061 175.900 0.181 0.000 1.019 260 Y CA -1.358 56.849 58.100 0.179 0.000 1.032 260 Y CB 2.057 40.583 38.460 0.109 0.000 1.284 260 Y HN 0.181 nan 8.280 nan 0.000 0.466 261 L N 2.424 123.817 121.223 0.283 0.000 2.377 261 L HA 0.848 5.188 4.340 0.000 0.000 0.270 261 L C -0.625 176.405 176.870 0.267 0.000 0.991 261 L CA -0.433 54.543 54.840 0.227 0.000 0.851 261 L CB 0.820 42.962 42.059 0.139 0.000 1.218 261 L HN 0.707 nan 8.230 nan 0.000 0.420 262 A N 3.677 126.633 122.820 0.227 0.000 2.371 262 A HA 0.655 4.975 4.320 0.000 0.000 0.257 262 A C -0.719 177.001 177.584 0.226 0.000 1.089 262 A CA 0.252 52.378 52.037 0.148 0.000 0.794 262 A CB -0.046 19.007 19.000 0.088 0.000 1.029 262 A HN 1.005 nan 8.150 nan 0.000 0.488 263 H N -1.002 118.113 119.070 0.074 0.000 3.014 263 H HA 0.578 5.134 4.556 0.000 0.000 0.337 263 H C -0.926 174.450 175.328 0.080 0.000 1.320 263 H CA -1.055 55.051 56.048 0.096 0.000 1.128 263 H CB 0.263 30.067 29.762 0.070 0.000 1.862 263 H HN 0.789 nan 8.280 nan 0.000 0.536 264 L N -0.469 120.880 121.223 0.209 0.000 2.421 264 L HA 0.848 5.188 4.340 0.000 0.000 0.263 264 L C 0.004 177.022 176.870 0.246 0.000 1.122 264 L CA -0.082 54.845 54.840 0.146 0.000 0.804 264 L CB 1.553 43.719 42.059 0.179 0.000 1.150 264 L HN 0.955 nan 8.230 nan 0.000 0.457 265 T N 0.587 115.230 114.554 0.148 0.000 2.885 265 T HA 0.728 5.078 4.350 0.000 0.000 0.322 265 T C -0.614 174.174 174.700 0.146 0.000 1.387 265 T CA -0.061 62.152 62.100 0.189 0.000 1.041 265 T CB 1.104 70.080 68.868 0.181 0.000 1.287 265 T HN 1.201 nan 8.240 nan 0.000 0.491 266 G N 2.120 111.015 108.800 0.157 0.000 2.420 266 G HA2 0.657 4.617 3.960 0.000 0.000 0.331 266 G HA3 0.657 4.617 3.960 0.000 0.000 0.331 266 G C -1.001 174.036 174.900 0.228 0.000 1.168 266 G CA -0.746 44.455 45.100 0.168 0.000 0.936 266 G HN 0.728 nan 8.290 nan 0.000 0.479 267 R N 2.593 123.264 120.500 0.285 0.000 2.312 267 R HA 0.285 4.625 4.340 0.000 0.000 0.310 267 R C -2.494 174.027 176.300 0.368 0.000 1.064 267 R CA -1.446 54.855 56.100 0.335 0.000 0.983 267 R CB 1.983 32.542 30.300 0.432 0.000 1.139 267 R HN 0.386 nan 8.270 nan 0.000 0.536 268 P HA 0.055 nan 4.420 nan 0.000 0.274 268 P C 0.001 177.350 177.300 0.081 0.000 1.231 268 P CA -0.317 62.928 63.100 0.241 0.000 0.790 268 P CB 0.838 32.663 31.700 0.207 0.000 0.951 269 L N 3.207 124.493 121.223 0.106 0.000 2.483 269 L HA 0.116 4.456 4.340 0.000 0.000 0.276 269 L C -1.707 175.144 176.870 -0.032 0.000 1.213 269 L CA -1.449 53.366 54.840 -0.042 0.000 0.843 269 L CB -0.796 41.341 42.059 0.131 0.000 1.107 269 L HN 0.273 nan 8.230 nan 0.000 0.487 270 P HA 0.106 nan 4.420 nan 0.000 0.268 270 P C -0.649 176.598 177.300 -0.089 0.000 1.204 270 P CA -0.242 62.814 63.100 -0.074 0.000 0.768 270 P CB 0.731 32.377 31.700 -0.090 0.000 0.842 271 A N 5.514 128.272 122.820 -0.103 0.000 2.346 271 A HA 0.449 4.769 4.320 0.000 0.000 0.252 271 A C -2.103 175.269 177.584 -0.353 0.000 1.089 271 A CA -1.257 50.661 52.037 -0.198 0.000 0.797 271 A CB -1.253 17.670 19.000 -0.129 0.000 1.047 271 A HN 0.412 nan 8.150 nan 0.000 0.494 272 P HA 0.231 nan 4.420 nan 0.000 0.268 272 P C -0.272 176.707 177.300 -0.535 0.000 1.208 272 P CA 0.443 63.097 63.100 -0.744 0.000 0.777 272 P CB 0.382 31.297 31.700 -1.309 0.000 0.875 273 A N 2.428 125.080 122.820 -0.280 0.000 2.511 273 A HA 0.421 4.741 4.320 0.000 0.000 0.242 273 A C 1.554 179.143 177.584 0.008 0.000 1.069 273 A CA 0.772 52.741 52.037 -0.113 0.000 0.763 273 A CB -1.331 17.626 19.000 -0.073 0.000 1.001 273 A HN 0.878 nan 8.150 nan 0.000 0.498 274 G N 0.704 109.536 108.800 0.054 0.000 2.199 274 G HA2 -0.214 3.747 3.960 0.000 0.000 0.254 274 G HA3 -0.214 3.747 3.960 0.000 0.000 0.254 274 G C 0.051 175.066 174.900 0.192 0.000 0.982 274 G CA 0.278 45.445 45.100 0.111 0.000 0.632 274 G HN 0.635 nan 8.290 nan 0.000 0.529 275 F N 2.111 121.976 119.950 -0.143 0.000 2.450 275 F HA 0.510 5.037 4.527 0.000 0.000 0.339 275 F C -1.392 174.336 175.800 -0.120 0.000 1.146 275 F CA -2.421 55.451 58.000 -0.214 0.000 1.267 275 F CB 0.161 38.900 39.000 -0.436 0.000 1.178 275 F HN -0.136 nan 8.300 nan 0.000 0.585 276 P HA 0.081 nan 4.420 nan 0.000 0.267 276 P C 0.408 177.733 177.300 0.043 0.000 1.209 276 P CA 0.066 63.184 63.100 0.029 0.000 0.763 276 P CB 0.581 32.284 31.700 0.006 0.000 0.816 277 S N 3.605 119.307 115.700 0.004 0.000 2.423 277 S HA -0.143 4.327 4.470 0.000 0.000 0.231 277 S C 1.473 175.981 174.600 -0.153 0.000 1.014 277 S CA 0.613 58.774 58.200 -0.064 0.000 0.965 277 S CB -0.416 62.742 63.200 -0.071 0.000 0.785 277 S HN 0.367 nan 8.310 nan 0.000 0.495 278 R N 1.280 121.708 120.500 -0.121 0.000 2.276 278 R HA 0.173 4.513 4.340 0.000 0.000 0.203 278 R C 0.636 176.856 176.300 -0.132 0.000 1.017 278 R CA 0.661 56.667 56.100 -0.156 0.000 1.010 278 R CB -0.108 30.111 30.300 -0.134 0.000 0.900 278 R HN 0.564 nan 8.270 nan 0.000 0.469 279 E N 1.115 121.271 120.200 -0.073 0.000 2.392 279 E HA 0.036 4.386 4.350 0.000 0.000 0.307 279 E C 0.548 177.046 176.600 -0.169 0.000 1.505 279 E CA -0.182 56.172 56.400 -0.076 0.000 1.716 279 E CB 0.307 30.028 29.700 0.034 0.000 1.450 279 E HN 0.224 nan 8.360 nan 0.000 0.484 280 R N 0.451 120.771 120.500 -0.299 0.000 2.096 280 R HA -0.154 4.187 4.340 0.000 0.000 0.235 280 R C 1.444 177.455 176.300 -0.482 0.000 1.127 280 R CA 1.131 56.895 56.100 -0.560 0.000 0.968 280 R CB 0.034 29.665 30.300 -1.116 0.000 0.861 280 R HN 0.144 nan 8.270 nan 0.000 0.440 281 E N 0.364 120.404 120.200 -0.267 0.000 2.265 281 E HA -0.180 4.170 4.350 0.000 0.000 0.196 281 E C 1.699 178.157 176.600 -0.237 0.000 0.996 281 E CA 1.072 57.404 56.400 -0.113 0.000 0.832 281 E CB 0.108 29.796 29.700 -0.021 0.000 0.756 281 E HN 0.276 nan 8.360 nan 0.000 0.491 282 Q N -1.358 118.217 119.800 -0.375 0.000 2.349 282 Q HA 0.110 4.450 4.340 0.000 0.000 0.209 282 Q C 1.049 176.662 176.000 -0.646 0.000 0.920 282 Q CA 0.886 56.370 55.803 -0.531 0.000 0.901 282 Q CB 0.475 28.741 28.738 -0.787 0.000 1.021 282 Q HN 0.343 nan 8.270 nan 0.000 0.519 283 H N -1.735 117.196 119.070 -0.231 0.000 3.170 283 H HA 0.544 5.101 4.556 0.000 0.000 0.264 283 H C -0.491 174.643 175.328 -0.323 0.000 1.113 283 H CA 0.259 56.221 56.048 -0.144 0.000 1.194 283 H CB 0.789 30.579 29.762 0.047 0.000 1.553 283 H HN 0.046 nan 8.280 nan 0.000 0.538 284 A N 1.443 123.999 122.820 -0.440 0.000 2.273 284 A HA 0.535 4.855 4.320 0.000 0.000 0.320 284 A C -1.078 176.350 177.584 -0.260 0.000 1.358 284 A CA -0.317 51.576 52.037 -0.240 0.000 0.910 284 A CB -0.369 18.465 19.000 -0.276 0.000 1.159 284 A HN 0.072 nan 8.150 nan 0.000 0.526 285 F N 1.067 121.150 119.950 0.222 0.000 2.482 285 F HA 0.397 4.925 4.527 0.000 0.000 0.331 285 F C 0.137 176.114 175.800 0.296 0.000 1.115 285 F CA -0.590 57.579 58.000 0.280 0.000 0.955 285 F CB 2.024 41.232 39.000 0.346 0.000 1.136 285 F HN 0.430 nan 8.300 nan 0.000 0.452 286 C N 5.386 124.948 119.300 0.437 0.000 2.248 286 C HA 0.238 4.698 4.460 0.000 0.000 0.320 286 C C -1.095 174.101 174.990 0.343 0.000 1.065 286 C CA -1.163 58.088 59.018 0.388 0.000 1.558 286 C CB -0.079 27.838 27.740 0.295 0.000 1.787 286 C HN 0.585 nan 8.230 nan 0.000 0.426 287 P HA -0.045 nan 4.420 nan 0.000 0.225 287 P C 0.910 178.275 177.300 0.109 0.000 1.156 287 P CA 0.918 64.126 63.100 0.181 0.000 0.787 287 P CB 0.294 32.121 31.700 0.212 0.000 0.802 288 L N -0.865 120.462 121.223 0.173 0.000 2.645 288 L HA 0.271 4.611 4.340 0.000 0.000 0.235 288 L C 1.630 178.560 176.870 0.101 0.000 1.150 288 L CA 0.774 55.652 54.840 0.063 0.000 0.911 288 L CB -1.410 40.592 42.059 -0.095 0.000 1.077 288 L HN 0.111 nan 8.230 nan 0.000 0.438 289 G N 0.380 109.273 108.800 0.156 0.000 2.552 289 G HA2 -0.322 3.638 3.960 0.000 0.000 0.265 289 G HA3 -0.322 3.638 3.960 0.000 0.000 0.265 289 G C 0.139 175.135 174.900 0.160 0.000 1.234 289 G CA -0.259 44.942 45.100 0.169 0.000 0.944 289 G HN 0.300 nan 8.290 nan 0.000 0.568 290 R N 1.132 121.730 120.500 0.163 0.000 2.255 290 R HA 0.523 4.864 4.340 0.000 0.000 0.326 290 R C 0.076 176.432 176.300 0.092 0.000 0.986 290 R CA -0.399 55.775 56.100 0.125 0.000 0.847 290 R CB 1.446 31.812 30.300 0.109 0.000 1.111 290 R HN 0.638 nan 8.270 nan 0.000 0.452 291 E N 0.776 121.002 120.200 0.044 0.000 2.259 291 E HA 0.341 4.691 4.350 0.000 0.000 0.257 291 E C -0.565 175.980 176.600 -0.092 0.000 0.998 291 E CA -0.850 55.529 56.400 -0.035 0.000 0.866 291 E CB 1.805 31.489 29.700 -0.026 0.000 1.220 291 E HN 0.286 nan 8.360 nan 0.000 0.415 292 T N 0.789 115.231 114.554 -0.186 0.000 2.797 292 T HA 0.592 4.943 4.350 0.000 0.000 0.279 292 T C -0.775 173.737 174.700 -0.313 0.000 0.991 292 T CA -0.528 61.416 62.100 -0.260 0.000 0.979 292 T CB 1.233 69.906 68.868 -0.326 0.000 0.943 292 T HN 0.506 nan 8.240 nan 0.000 0.444 293 A N 3.329 125.895 122.820 -0.424 0.000 2.386 293 A HA 0.938 5.258 4.320 0.000 0.000 0.308 293 A C -0.977 176.405 177.584 -0.336 0.000 1.128 293 A CA -0.811 50.986 52.037 -0.400 0.000 0.789 293 A CB 0.998 19.724 19.000 -0.457 0.000 1.325 293 A HN 0.821 nan 8.150 nan 0.000 0.437 294 I N 1.082 121.596 120.570 -0.093 0.000 2.499 294 I HA 0.310 4.481 4.170 0.000 0.000 0.288 294 I C -0.788 175.457 176.117 0.213 0.000 1.048 294 I CA -0.665 60.690 61.300 0.091 0.000 1.062 294 I CB 2.068 40.130 38.000 0.103 0.000 1.238 294 I HN 0.551 nan 8.210 nan 0.000 0.426 295 Q N 4.575 124.545 119.800 0.284 0.000 2.248 295 Q HA 0.473 4.813 4.340 0.000 0.000 0.263 295 Q C -0.688 175.418 176.000 0.176 0.000 1.007 295 Q CA -0.823 55.110 55.803 0.217 0.000 0.877 295 Q CB 2.495 31.323 28.738 0.149 0.000 1.315 295 Q HN 0.460 nan 8.270 nan 0.000 0.454 296 K N 1.331 121.751 120.400 0.032 0.000 2.174 296 K HA 0.407 4.727 4.320 0.000 0.000 0.275 296 K C -0.628 175.843 176.600 -0.216 0.000 1.015 296 K CA -0.420 55.689 56.287 -0.297 0.000 0.933 296 K CB 0.676 33.022 32.500 -0.256 0.000 1.025 296 K HN 0.422 nan 8.250 nan 0.000 0.463 297 I N 3.360 123.766 120.570 -0.274 0.000 2.433 297 I HA 0.282 4.453 4.170 0.000 0.000 0.292 297 I C -0.223 175.781 176.117 -0.188 0.000 1.001 297 I CA -0.469 60.696 61.300 -0.224 0.000 1.119 297 I CB 1.758 39.631 38.000 -0.212 0.000 1.289 297 I HN 0.755 nan 8.210 nan 0.000 0.438 298 E N 4.070 124.129 120.200 -0.235 0.000 2.263 298 E HA 0.421 4.771 4.350 0.000 0.000 0.264 298 E C -1.652 174.763 176.600 -0.310 0.000 0.923 298 E CA -0.614 55.707 56.400 -0.132 0.000 0.802 298 E CB 2.267 31.941 29.700 -0.044 0.000 1.228 298 E HN 0.341 nan 8.360 nan 0.000 0.417 299 W N 1.486 122.711 121.300 -0.125 0.000 2.520 299 W HA 0.354 5.014 4.660 0.000 0.000 0.323 299 W C -0.272 176.211 176.519 -0.059 0.000 1.062 299 W CA -0.276 56.980 57.345 -0.148 0.000 1.215 299 W CB 1.411 30.720 29.460 -0.253 0.000 1.340 299 W HN 0.296 nan 8.180 nan 0.000 0.516 300 Q N 3.069 122.976 119.800 0.179 0.000 2.295 300 Q HA 0.156 4.497 4.340 0.000 0.000 0.259 300 Q C -0.790 175.331 176.000 0.201 0.000 0.966 300 Q CA -0.370 55.522 55.803 0.149 0.000 0.763 300 Q CB 1.121 29.920 28.738 0.101 0.000 1.283 300 Q HN 0.620 nan 8.270 nan 0.000 0.445 301 D N 3.242 123.728 120.400 0.144 0.000 2.772 301 D HA -0.209 4.431 4.640 0.000 0.000 0.233 301 D C 0.610 176.914 176.300 0.006 0.000 1.143 301 D CA 1.672 55.740 54.000 0.113 0.000 0.700 301 D CB -1.423 39.487 40.800 0.183 0.000 1.076 301 D HN 1.136 nan 8.370 nan 0.000 0.430 302 G N -1.540 107.275 108.800 0.024 0.000 2.153 302 G HA2 -0.294 3.666 3.960 0.000 0.000 0.252 302 G HA3 -0.294 3.666 3.960 0.000 0.000 0.252 302 G C -0.064 174.805 174.900 -0.052 0.000 0.994 302 G CA 0.451 45.515 45.100 -0.060 0.000 0.698 302 G HN 0.393 nan 8.290 nan 0.000 0.521 303 W N 0.444 121.923 121.300 0.299 0.000 2.736 303 W HA 0.597 5.257 4.660 0.000 0.000 0.335 303 W C -1.982 174.329 176.519 -0.347 0.000 1.059 303 W CA -2.587 54.810 57.345 0.087 0.000 1.226 303 W CB 1.918 31.398 29.460 0.034 0.000 1.416 303 W HN -0.046 nan 8.180 nan 0.000 0.505 304 P HA 0.327 nan 4.420 nan 0.000 0.281 304 P C -1.007 176.020 177.300 -0.456 0.000 1.249 304 P CA -0.092 62.346 63.100 -1.105 0.000 0.810 304 P CB 2.028 32.974 31.700 -1.257 0.000 1.008 305 V N 2.466 122.130 119.914 -0.417 0.000 2.686 305 V HA 0.145 4.265 4.120 0.000 0.000 0.306 305 V C 0.154 176.125 176.094 -0.205 0.000 1.065 305 V CA -0.930 61.236 62.300 -0.223 0.000 0.894 305 V CB 2.327 34.066 31.823 -0.139 0.000 1.004 305 V HN 0.245 nan 8.190 nan 0.000 0.424 306 V N 5.296 125.121 119.914 -0.148 0.000 2.446 306 V HA 0.120 4.240 4.120 0.000 0.000 0.276 306 V C 0.476 176.524 176.094 -0.078 0.000 1.030 306 V CA -0.143 62.091 62.300 -0.110 0.000 1.033 306 V CB 1.293 33.062 31.823 -0.090 0.000 0.993 306 V HN 0.633 nan 8.190 nan 0.000 0.477 307 V N 5.589 125.461 119.914 -0.070 0.000 2.599 307 V HA 0.389 4.509 4.120 0.000 0.000 0.300 307 V C 1.475 177.559 176.094 -0.017 0.000 1.034 307 V CA 1.469 63.743 62.300 -0.043 0.000 1.115 307 V CB 0.305 32.104 31.823 -0.040 0.000 0.934 307 V HN 1.264 nan 8.190 nan 0.000 0.485 308 G N 3.064 111.857 108.800 -0.011 0.000 2.176 308 G HA2 0.149 4.109 3.960 0.000 0.000 0.253 308 G HA3 0.149 4.109 3.960 0.000 0.000 0.253 308 G C 0.790 175.688 174.900 -0.004 0.000 0.979 308 G CA -0.010 45.090 45.100 0.000 0.000 0.641 308 G HN 2.435 nan 8.290 nan 0.000 0.530 309 G N -1.098 107.691 108.800 -0.018 0.000 2.587 309 G HA2 0.368 4.328 3.960 0.000 0.000 0.686 309 G HA3 0.368 4.328 3.960 0.000 0.000 0.686 309 G C 0.482 175.363 174.900 -0.031 0.000 1.236 309 G CA 0.599 45.685 45.100 -0.024 0.000 0.820 309 G HN 1.564 nan 8.290 nan 0.000 0.645 310 Q N -0.118 119.660 119.800 -0.038 0.000 2.364 310 Q HA -0.161 4.179 4.340 0.000 0.000 0.207 310 Q C 2.021 177.997 176.000 -0.041 0.000 0.970 310 Q CA 1.868 57.642 55.803 -0.049 0.000 0.888 310 Q CB -0.096 28.613 28.738 -0.047 0.000 0.951 310 Q HN 0.772 nan 8.270 nan 0.000 0.469 311 Q N 1.509 121.300 119.800 -0.014 0.000 2.297 311 Q HA 0.068 4.408 4.340 0.000 0.000 0.204 311 Q C 0.662 176.669 176.000 0.012 0.000 0.962 311 Q CA 1.316 57.124 55.803 0.009 0.000 0.879 311 Q CB -0.384 28.368 28.738 0.024 0.000 0.947 311 Q HN 0.390 nan 8.270 nan 0.000 0.462 312 G N 0.492 109.294 108.800 0.003 0.000 2.862 312 G HA2 -0.117 3.843 3.960 0.000 0.000 0.686 312 G HA3 -0.117 3.843 3.960 0.000 0.000 0.686 312 G C -0.866 174.086 174.900 0.087 0.000 1.134 312 G CA -0.070 45.058 45.100 0.046 0.000 0.791 312 G HN 0.327 nan 8.290 nan 0.000 0.592 313 S N 0.930 116.690 115.700 0.101 0.000 2.607 313 S HA 0.649 5.119 4.470 0.000 0.000 0.303 313 S C 1.679 176.339 174.600 0.100 0.000 1.086 313 S CA -0.622 57.630 58.200 0.087 0.000 0.995 313 S CB 1.937 65.177 63.200 0.067 0.000 1.084 313 S HN 0.613 nan 8.310 nan 0.000 0.507 314 L N 0.904 122.177 121.223 0.083 0.000 2.044 314 L HA 0.133 4.473 4.340 0.000 0.000 0.205 314 L C 1.158 178.068 176.870 0.066 0.000 1.075 314 L CA 1.175 56.062 54.840 0.077 0.000 0.747 314 L CB -0.012 42.089 42.059 0.070 0.000 0.903 314 L HN 0.641 nan 8.230 nan 0.000 0.435 315 E N 0.337 120.573 120.200 0.060 0.000 2.156 315 E HA 0.420 4.770 4.350 0.000 0.000 0.279 315 E C -1.456 175.182 176.600 0.063 0.000 0.965 315 E CA -0.307 56.124 56.400 0.053 0.000 0.789 315 E CB 1.589 31.314 29.700 0.041 0.000 1.098 315 E HN -0.172 nan 8.360 nan 0.000 0.397 316 V N 4.143 124.101 119.914 0.073 0.000 2.709 316 V HA 0.165 4.286 4.120 0.000 0.000 0.308 316 V C -0.276 175.886 176.094 0.112 0.000 1.062 316 V CA -0.950 61.413 62.300 0.104 0.000 0.901 316 V CB 1.804 33.715 31.823 0.148 0.000 1.003 316 V HN 0.780 nan 8.190 nan 0.000 0.425 317 E N 3.018 123.295 120.200 0.128 0.000 2.415 317 E HA 0.344 4.695 4.350 0.000 0.000 0.260 317 E C 0.231 176.939 176.600 0.180 0.000 1.016 317 E CA -0.153 56.322 56.400 0.125 0.000 0.924 317 E CB 0.930 30.698 29.700 0.114 0.000 0.961 317 E HN 0.878 nan 8.360 nan 0.000 0.459 318 A N 6.215 129.081 122.820 0.077 0.000 2.407 318 A HA 0.320 4.640 4.320 0.000 0.000 0.248 318 A C -2.098 175.502 177.584 0.026 0.000 1.082 318 A CA -1.219 50.811 52.037 -0.012 0.000 0.785 318 A CB 0.061 19.022 19.000 -0.066 0.000 1.020 318 A HN 0.599 nan 8.150 nan 0.000 0.489 319 P HA 0.056 nan 4.420 nan 0.000 0.272 319 P C -0.473 176.827 177.300 -0.000 0.000 1.240 319 P CA -0.241 62.860 63.100 0.001 0.000 0.791 319 P CB 0.443 32.032 31.700 -0.185 0.000 0.978 320 D N 1.517 121.944 120.400 0.045 0.000 2.885 320 D HA 0.069 4.709 4.640 0.000 0.000 0.234 320 D C -0.528 175.776 176.300 0.007 0.000 1.129 320 D CA 0.204 54.221 54.000 0.027 0.000 0.991 320 D CB -0.946 39.881 40.800 0.046 0.000 1.137 320 D HN 0.221 nan 8.370 nan 0.000 0.459 321 L N 0.247 121.457 121.223 -0.021 0.000 2.323 321 L HA 0.470 4.810 4.340 0.000 0.000 0.265 321 L C -2.224 174.621 176.870 -0.041 0.000 1.012 321 L CA -2.443 52.382 54.840 -0.025 0.000 0.820 321 L CB 1.905 43.944 42.059 -0.033 0.000 1.334 321 L HN -0.139 nan 8.230 nan 0.000 0.427 322 P HA 0.109 nan 4.420 nan 0.000 0.267 322 P C -1.135 176.112 177.300 -0.089 0.000 1.209 322 P CA -0.174 62.891 63.100 -0.059 0.000 0.763 322 P CB 0.414 32.083 31.700 -0.052 0.000 0.816 323 Q N 2.006 121.744 119.800 -0.103 0.000 2.260 323 Q HA 0.338 4.678 4.340 0.000 0.000 0.242 323 Q C -0.246 175.599 176.000 -0.259 0.000 0.932 323 Q CA -0.318 55.407 55.803 -0.130 0.000 0.891 323 Q CB 1.293 29.999 28.738 -0.052 0.000 1.222 323 Q HN 0.427 nan 8.270 nan 0.000 0.453 324 Q N 1.276 120.829 119.800 -0.411 0.000 2.280 324 Q HA 0.201 4.541 4.340 0.000 0.000 0.259 324 Q C -1.626 173.663 176.000 -1.184 0.000 0.964 324 Q CA -0.250 55.114 55.803 -0.731 0.000 0.844 324 Q CB 1.922 30.191 28.738 -0.782 0.000 1.334 324 Q HN 0.640 nan 8.270 nan 0.000 0.423 325 E N 2.862 122.378 120.200 -1.140 0.000 2.318 325 E HA 0.344 4.694 4.350 0.000 0.000 0.265 325 E C -1.286 174.665 176.600 -1.082 0.000 1.069 325 E CA -0.450 55.284 56.400 -1.110 0.000 0.893 325 E CB 0.846 30.111 29.700 -0.726 0.000 1.076 325 E HN 0.491 nan 8.360 nan 0.000 0.414 326 W N 0.809 121.952 121.300 -0.262 0.000 2.761 326 W HA 0.557 5.218 4.660 0.000 0.000 0.340 326 W C -0.228 176.210 176.519 -0.135 0.000 1.072 326 W CA -1.080 56.103 57.345 -0.270 0.000 1.215 326 W CB 1.335 30.520 29.460 -0.458 0.000 1.420 326 W HN 0.534 nan 8.180 nan 0.000 0.519 327 A N 3.116 126.038 122.820 0.169 0.000 2.483 327 A HA 0.423 4.743 4.320 0.000 0.000 0.238 327 A C -2.106 175.557 177.584 0.132 0.000 1.070 327 A CA -0.834 51.267 52.037 0.106 0.000 0.770 327 A CB -0.663 18.395 19.000 0.098 0.000 1.008 327 A HN 0.418 nan 8.150 nan 0.000 0.497 328 P HA 0.156 nan 4.420 nan 0.000 0.269 328 P C 0.753 178.090 177.300 0.061 0.000 1.209 328 P CA 0.277 63.396 63.100 0.031 0.000 0.776 328 P CB 0.461 32.087 31.700 -0.123 0.000 0.876 329 T N -1.905 112.722 114.554 0.122 0.000 3.069 329 T HA 0.229 4.579 4.350 0.000 0.000 0.252 329 T C 0.134 174.933 174.700 0.165 0.000 1.053 329 T CA -0.079 62.099 62.100 0.130 0.000 0.964 329 T CB -0.850 68.091 68.868 0.122 0.000 1.005 329 T HN 0.528 nan 8.240 nan 0.000 0.532 330 Y N -1.041 119.251 120.300 -0.014 0.000 2.625 330 Y HA 0.787 5.337 4.550 0.000 0.000 0.338 330 Y C -1.277 174.620 175.900 -0.006 0.000 1.123 330 Y CA -1.501 56.574 58.100 -0.041 0.000 1.046 330 Y CB 1.181 39.576 38.460 -0.108 0.000 1.299 330 Y HN -0.068 nan 8.280 nan 0.000 0.464 331 E N 1.573 121.712 120.200 -0.102 0.000 2.204 331 E HA 0.126 4.476 4.350 0.000 0.000 0.276 331 E C 0.121 176.723 176.600 0.002 0.000 0.974 331 E CA -0.630 55.681 56.400 -0.150 0.000 0.815 331 E CB 2.292 31.967 29.700 -0.043 0.000 1.119 331 E HN 0.903 nan 8.360 nan 0.000 0.393 332 E N 2.919 123.088 120.200 -0.053 0.000 2.086 332 E HA -0.243 4.107 4.350 0.000 0.000 0.200 332 E C 0.446 177.123 176.600 0.127 0.000 1.012 332 E CA 1.270 57.728 56.400 0.096 0.000 0.812 332 E CB 0.302 30.002 29.700 0.001 0.000 0.743 332 E HN 0.249 nan 8.360 nan 0.000 0.453 333 R N 0.998 121.531 120.500 0.054 0.000 2.288 333 R HA 0.082 4.422 4.340 0.000 0.000 0.326 333 R C -1.426 174.900 176.300 0.043 0.000 0.959 333 R CA -0.511 55.620 56.100 0.051 0.000 0.834 333 R CB 0.973 31.251 30.300 -0.037 0.000 1.157 333 R HN -0.032 nan 8.270 nan 0.000 0.470 334 D N 3.091 123.528 120.400 0.063 0.000 2.380 334 D HA 0.048 4.689 4.640 0.000 0.000 0.230 334 D C -0.244 175.935 176.300 -0.202 0.000 1.154 334 D CA -0.119 53.838 54.000 -0.071 0.000 0.859 334 D CB 1.162 41.898 40.800 -0.106 0.000 1.045 334 D HN 0.511 nan 8.370 nan 0.000 0.495 335 D N 3.232 123.581 120.400 -0.085 0.000 2.328 335 D HA -0.050 4.590 4.640 0.000 0.000 0.226 335 D C 0.317 176.662 176.300 0.075 0.000 1.066 335 D CA -0.079 53.918 54.000 -0.004 0.000 0.861 335 D CB -0.046 40.767 40.800 0.022 0.000 0.912 335 D HN 0.411 nan 8.370 nan 0.000 0.521 336 F N 0.500 120.526 119.950 0.127 0.000 3.091 336 F HA -0.221 4.306 4.527 0.000 0.000 0.288 336 F C 0.754 176.599 175.800 0.076 0.000 0.907 336 F CA 0.056 58.116 58.000 0.100 0.000 1.028 336 F CB -1.895 37.159 39.000 0.090 0.000 1.022 336 F HN 0.019 nan 8.300 nan 0.000 0.665 337 D N 0.221 120.738 120.400 0.194 0.000 2.342 337 D HA 0.106 4.746 4.640 0.000 0.000 0.221 337 D C 0.758 177.138 176.300 0.133 0.000 1.101 337 D CA 0.387 54.473 54.000 0.143 0.000 0.837 337 D CB 0.326 41.183 40.800 0.094 0.000 0.938 337 D HN 0.376 nan 8.370 nan 0.000 0.508 338 K N 0.738 121.230 120.400 0.154 0.000 2.267 338 K HA 0.164 4.485 4.320 0.000 0.000 0.246 338 K C 0.219 176.909 176.600 0.149 0.000 0.954 338 K CA -0.692 55.675 56.287 0.133 0.000 0.824 338 K CB 1.739 34.309 32.500 0.117 0.000 1.167 338 K HN -0.219 nan 8.250 nan 0.000 0.431 339 D N 0.027 120.502 120.400 0.126 0.000 2.325 339 D HA -0.008 4.632 4.640 0.000 0.000 0.225 339 D C -0.419 175.957 176.300 0.128 0.000 1.096 339 D CA -0.015 54.062 54.000 0.129 0.000 0.844 339 D CB 0.231 41.100 40.800 0.115 0.000 0.925 339 D HN 0.156 nan 8.370 nan 0.000 0.513 340 T N 1.248 115.874 114.554 0.120 0.000 2.779 340 T HA 0.341 4.691 4.350 0.000 0.000 0.280 340 T C -0.357 174.407 174.700 0.107 0.000 0.987 340 T CA -0.688 61.477 62.100 0.107 0.000 0.966 340 T CB 1.588 70.511 68.868 0.092 0.000 0.933 340 T HN 0.044 nan 8.240 nan 0.000 0.442 341 L N 4.723 125.979 121.223 0.055 0.000 2.410 341 L HA 0.265 4.605 4.340 0.000 0.000 0.273 341 L C 0.815 177.769 176.870 0.140 0.000 1.152 341 L CA -0.129 54.739 54.840 0.046 0.000 0.855 341 L CB 0.342 42.255 42.059 -0.244 0.000 1.129 341 L HN 0.577 nan 8.230 nan 0.000 0.463 342 N N 4.040 122.897 118.700 0.262 0.000 2.353 342 N HA -0.150 4.590 4.740 0.000 0.000 0.248 342 N C 1.329 176.868 175.510 0.048 0.000 1.240 342 N CA 0.346 53.470 53.050 0.125 0.000 0.862 342 N CB 0.495 38.995 38.487 0.022 0.000 1.086 342 N HN 0.892 nan 8.380 nan 0.000 0.453 343 I N 3.273 123.846 120.570 0.006 0.000 2.530 343 I HA -0.268 3.903 4.170 0.000 0.000 0.257 343 I C 1.291 177.378 176.117 -0.050 0.000 1.179 343 I CA 1.069 62.371 61.300 0.004 0.000 1.440 343 I CB -0.053 37.961 38.000 0.023 0.000 1.087 343 I HN 0.544 nan 8.210 nan 0.000 0.440 344 N N 0.050 118.642 118.700 -0.179 0.000 2.461 344 N HA 0.024 4.764 4.740 0.000 0.000 0.188 344 N C -0.145 175.132 175.510 -0.390 0.000 1.134 344 N CA 0.352 53.208 53.050 -0.324 0.000 0.878 344 N CB 0.175 38.366 38.487 -0.493 0.000 0.972 344 N HN 0.231 nan 8.380 nan 0.000 0.456 345 F N 1.194 121.030 119.950 -0.190 0.000 2.404 345 F HA 0.298 4.826 4.527 0.000 0.000 0.339 345 F C 0.767 176.475 175.800 -0.152 0.000 1.105 345 F CA -0.682 57.195 58.000 -0.204 0.000 1.087 345 F CB 1.257 40.118 39.000 -0.232 0.000 1.143 345 F HN -0.279 nan 8.300 nan 0.000 0.491 346 Q N 0.774 120.661 119.800 0.144 0.000 2.458 346 Q HA 0.491 4.831 4.340 0.000 0.000 0.282 346 Q C -0.742 175.397 176.000 0.231 0.000 1.106 346 Q CA -1.105 54.793 55.803 0.158 0.000 0.814 346 Q CB 2.721 31.592 28.738 0.221 0.000 1.425 346 Q HN 0.708 nan 8.270 nan 0.000 0.437 347 T N -1.971 112.732 114.554 0.248 0.000 2.948 347 T HA 0.644 4.995 4.350 0.000 0.000 0.285 347 T C -0.207 174.524 174.700 0.051 0.000 1.019 347 T CA -0.866 61.316 62.100 0.138 0.000 1.013 347 T CB 0.605 69.543 68.868 0.115 0.000 1.117 347 T HN 0.355 nan 8.240 nan 0.000 0.533 348 L N 2.215 123.292 121.223 -0.242 0.000 2.260 348 L HA 0.471 4.811 4.340 0.000 0.000 0.289 348 L C 1.337 178.055 176.870 -0.252 0.000 1.057 348 L CA -0.508 54.041 54.840 -0.486 0.000 0.811 348 L CB 0.435 42.118 42.059 -0.627 0.000 1.184 348 L HN 0.849 nan 8.230 nan 0.000 0.429 349 R N 1.261 121.659 120.500 -0.169 0.000 2.991 349 R HA -0.256 4.084 4.340 0.000 0.000 0.236 349 R C 0.197 176.390 176.300 -0.178 0.000 0.788 349 R CA 2.127 58.162 56.100 -0.109 0.000 1.764 349 R CB -1.349 28.835 30.300 -0.193 0.000 1.289 349 R HN 0.720 nan 8.270 nan 0.000 0.583 350 I N -1.209 119.164 120.570 -0.327 0.000 2.797 350 I HA 0.632 4.802 4.170 0.000 0.000 0.307 350 I C -2.615 173.020 176.117 -0.803 0.000 1.033 350 I CA -2.957 57.995 61.300 -0.579 0.000 1.071 350 I CB 2.053 39.875 38.000 -0.297 0.000 1.255 350 I HN -0.275 nan 8.210 nan 0.000 0.445 351 P HA 0.074 nan 4.420 nan 0.000 0.269 351 P C -0.738 176.508 177.300 -0.090 0.000 1.209 351 P CA 0.095 62.910 63.100 -0.476 0.000 0.776 351 P CB 0.248 31.784 31.700 -0.273 0.000 0.876 352 F N 2.659 122.587 119.950 -0.037 0.000 2.578 352 F HA 0.268 4.795 4.527 0.000 0.000 0.376 352 F C 0.600 176.400 175.800 -0.001 0.000 1.085 352 F CA 1.146 59.137 58.000 -0.015 0.000 1.260 352 F CB 0.071 39.074 39.000 0.005 0.000 1.095 352 F HN 0.423 nan 8.300 nan 0.000 0.573 353 S N 3.785 119.072 115.700 -0.689 0.000 2.656 353 S HA 0.337 4.807 4.470 0.000 0.000 0.273 353 S C 0.221 174.508 174.600 -0.523 0.000 1.168 353 S CA -0.858 57.081 58.200 -0.435 0.000 0.817 353 S CB 1.401 64.485 63.200 -0.193 0.000 1.146 353 S HN 0.532 nan 8.310 nan 0.000 0.475 354 E N 0.510 120.566 120.200 -0.240 0.000 2.265 354 E HA -0.158 4.192 4.350 0.000 0.000 0.196 354 E C 1.518 178.092 176.600 -0.043 0.000 0.996 354 E CA 1.593 57.925 56.400 -0.114 0.000 0.832 354 E CB -0.559 29.111 29.700 -0.050 0.000 0.756 354 E HN 0.835 nan 8.360 nan 0.000 0.491 355 H N 0.518 119.493 119.070 -0.159 0.000 2.387 355 H HA -0.016 4.540 4.556 0.000 0.000 0.299 355 H C 2.003 177.319 175.328 -0.020 0.000 1.090 355 H CA 1.431 57.405 56.048 -0.124 0.000 1.332 355 H CB -0.007 29.680 29.762 -0.125 0.000 1.386 355 H HN 0.056 nan 8.280 nan 0.000 0.516 356 L N -1.516 119.652 121.223 -0.091 0.000 2.202 356 L HA 0.275 4.615 4.340 0.000 0.000 0.205 356 L C 1.220 178.087 176.870 -0.007 0.000 1.083 356 L CA 0.497 55.287 54.840 -0.083 0.000 0.790 356 L CB 0.027 42.022 42.059 -0.107 0.000 0.942 356 L HN 0.458 nan 8.230 nan 0.000 0.452 357 G N -1.405 107.323 108.800 -0.121 0.000 2.342 357 G HA2 0.373 4.334 3.960 0.000 0.000 0.297 357 G HA3 0.373 4.334 3.960 0.000 0.000 0.297 357 G C -1.774 173.115 174.900 -0.019 0.000 1.313 357 G CA -0.147 44.899 45.100 -0.090 0.000 0.830 357 G HN -0.153 nan 8.290 nan 0.000 0.506 358 S N -1.398 114.340 115.700 0.062 0.000 2.543 358 S HA 0.530 5.000 4.470 0.000 0.000 0.271 358 S C 0.089 174.759 174.600 0.116 0.000 1.148 358 S CA -0.588 57.689 58.200 0.129 0.000 0.914 358 S CB 1.433 64.709 63.200 0.127 0.000 1.096 358 S HN 0.661 nan 8.310 nan 0.000 0.471 359 L N 3.351 124.669 121.223 0.158 0.000 2.607 359 L HA 0.197 4.537 4.340 0.000 0.000 0.228 359 L C 2.072 179.020 176.870 0.130 0.000 1.123 359 L CA 0.768 55.681 54.840 0.122 0.000 0.890 359 L CB 0.158 42.297 42.059 0.133 0.000 1.103 359 L HN 0.885 nan 8.230 nan 0.000 0.468 360 T N -4.960 109.666 114.554 0.120 0.000 2.990 360 T HA 0.198 4.549 4.350 0.000 0.000 0.249 360 T C 1.867 176.624 174.700 0.095 0.000 1.039 360 T CA 0.512 62.676 62.100 0.106 0.000 1.036 360 T CB 0.254 69.179 68.868 0.095 0.000 0.994 360 T HN 0.103 nan 8.240 nan 0.000 0.489 361 A N 1.814 124.690 122.820 0.093 0.000 1.972 361 A HA 0.115 4.435 4.320 0.000 0.000 0.219 361 A C 1.775 179.394 177.584 0.059 0.000 1.169 361 A CA 0.932 53.018 52.037 0.082 0.000 0.635 361 A CB -0.336 18.728 19.000 0.107 0.000 0.810 361 A HN 0.486 nan 8.150 nan 0.000 0.446 362 R N -0.248 120.294 120.500 0.070 0.000 2.734 362 R HA 0.290 4.630 4.340 0.000 0.000 0.268 362 R C -3.164 173.256 176.300 0.199 0.000 1.785 362 R CA -1.896 54.248 56.100 0.073 0.000 1.461 362 R CB 0.934 31.201 30.300 -0.054 0.000 1.308 362 R HN 0.044 nan 8.270 nan 0.000 0.586 363 P HA 0.004 nan 4.420 nan 0.000 0.263 363 P C 0.554 178.028 177.300 0.291 0.000 1.175 363 P CA 1.509 64.730 63.100 0.202 0.000 0.761 363 P CB 0.785 32.573 31.700 0.146 0.000 0.794 364 G N 0.698 109.647 108.800 0.247 0.000 2.176 364 G HA2 -0.227 3.734 3.960 0.000 0.000 0.253 364 G HA3 -0.227 3.734 3.960 0.000 0.000 0.253 364 G C -0.220 174.703 174.900 0.039 0.000 0.979 364 G CA -0.499 44.700 45.100 0.165 0.000 0.641 364 G HN 0.409 nan 8.290 nan 0.000 0.530 365 F N -0.958 119.090 119.950 0.165 0.000 2.576 365 F HA 0.718 5.245 4.527 0.000 0.000 0.313 365 F C 0.027 175.813 175.800 -0.023 0.000 1.078 365 F CA -1.328 56.751 58.000 0.132 0.000 0.921 365 F CB 1.771 40.813 39.000 0.070 0.000 1.232 365 F HN 0.058 nan 8.300 nan 0.000 0.459 366 L N 3.502 124.649 121.223 -0.128 0.000 2.260 366 L HA 0.470 4.810 4.340 0.000 0.000 0.289 366 L C -0.068 176.777 176.870 -0.042 0.000 1.057 366 L CA -0.206 54.417 54.840 -0.362 0.000 0.811 366 L CB 0.520 41.875 42.059 -1.173 0.000 1.184 366 L HN 0.638 nan 8.230 nan 0.000 0.429 367 R N 5.639 126.101 120.500 -0.064 0.000 2.221 367 R HA 0.540 4.880 4.340 0.000 0.000 0.327 367 R C -1.435 174.698 176.300 -0.278 0.000 1.033 367 R CA -0.478 55.527 56.100 -0.158 0.000 0.887 367 R CB 0.505 30.651 30.300 -0.257 0.000 1.057 367 R HN 0.762 nan 8.270 nan 0.000 0.455 368 L N 5.418 126.537 121.223 -0.173 0.000 2.317 368 L HA 0.391 4.732 4.340 0.000 0.000 0.281 368 L C -0.784 175.892 176.870 -0.323 0.000 1.024 368 L CA -1.005 53.718 54.840 -0.195 0.000 0.810 368 L CB 1.407 43.476 42.059 0.017 0.000 1.240 368 L HN 0.634 nan 8.230 nan 0.000 0.427 369 Y N 0.679 120.967 120.300 -0.021 0.000 2.327 369 Y HA 0.315 4.866 4.550 0.000 0.000 0.336 369 Y C 1.185 177.051 175.900 -0.058 0.000 1.035 369 Y CA -0.575 57.494 58.100 -0.052 0.000 1.165 369 Y CB 1.275 39.652 38.460 -0.138 0.000 1.181 369 Y HN 0.640 nan 8.280 nan 0.000 0.494 370 G N 4.700 113.581 108.800 0.135 0.000 2.272 370 G HA2 0.262 4.223 3.960 0.000 0.000 0.247 370 G HA3 0.262 4.223 3.960 0.000 0.000 0.247 370 G C 0.207 175.116 174.900 0.016 0.000 1.272 370 G CA -0.426 44.717 45.100 0.071 0.000 0.921 370 G HN 0.531 nan 8.290 nan 0.000 0.495 371 R N 1.504 121.994 120.500 -0.016 0.000 3.361 371 R HA 0.346 4.686 4.340 0.000 0.000 0.188 371 R C 0.320 176.612 176.300 -0.014 0.000 1.441 371 R CA -0.726 55.359 56.100 -0.024 0.000 0.810 371 R CB -0.157 30.123 30.300 -0.033 0.000 1.658 371 R HN 0.661 nan 8.270 nan 0.000 0.483 372 E N 1.281 121.482 120.200 0.002 0.000 2.369 372 E HA 0.153 4.503 4.350 0.000 0.000 0.255 372 E C 0.070 176.656 176.600 -0.024 0.000 1.172 372 E CA -0.255 56.148 56.400 0.005 0.000 0.932 372 E CB 0.598 30.323 29.700 0.043 0.000 1.040 372 E HN 0.481 nan 8.360 nan 0.000 0.454 373 S N 0.454 116.142 115.700 -0.019 0.000 2.606 373 S HA 0.020 4.491 4.470 0.000 0.000 0.257 373 S C 1.130 175.687 174.600 -0.072 0.000 1.327 373 S CA -0.445 57.721 58.200 -0.056 0.000 0.984 373 S CB 0.318 63.504 63.200 -0.024 0.000 0.941 373 S HN 0.527 nan 8.310 nan 0.000 0.576 374 L N 0.580 121.692 121.223 -0.185 0.000 2.353 374 L HA -0.112 4.228 4.340 0.000 0.000 0.220 374 L C 2.770 179.712 176.870 0.120 0.000 1.133 374 L CA 1.184 55.877 54.840 -0.245 0.000 0.798 374 L CB -0.531 40.941 42.059 -0.980 0.000 0.922 374 L HN 0.755 nan 8.230 nan 0.000 0.445 375 Q N -1.260 118.667 119.800 0.211 0.000 2.432 375 Q HA 0.005 4.345 4.340 0.000 0.000 0.205 375 Q C 0.954 177.085 176.000 0.219 0.000 0.945 375 Q CA 0.004 55.996 55.803 0.315 0.000 0.924 375 Q CB 0.314 29.211 28.738 0.265 0.000 1.016 375 Q HN 0.264 nan 8.270 nan 0.000 0.503 376 S N 0.509 116.301 115.700 0.154 0.000 2.548 376 S HA 0.108 4.578 4.470 0.000 0.000 0.277 376 S C 0.515 175.187 174.600 0.120 0.000 1.315 376 S CA -0.312 57.988 58.200 0.167 0.000 1.050 376 S CB 0.624 63.915 63.200 0.150 0.000 0.918 376 S HN 0.119 nan 8.310 nan 0.000 0.497 377 K N 3.420 123.886 120.400 0.111 0.000 2.410 377 K HA 0.164 4.484 4.320 0.000 0.000 0.200 377 K C -0.214 176.097 176.600 -0.482 0.000 1.023 377 K CA 0.211 56.399 56.287 -0.164 0.000 1.149 377 K CB 0.202 32.567 32.500 -0.225 0.000 0.859 377 K HN 0.552 nan 8.250 nan 0.000 0.514 378 F N -0.030 119.906 119.950 -0.022 0.000 2.432 378 F HA 0.116 4.643 4.527 0.000 0.000 0.247 378 F C 0.820 176.592 175.800 -0.047 0.000 0.972 378 F CA 0.009 57.988 58.000 -0.035 0.000 1.083 378 F CB 0.341 39.327 39.000 -0.024 0.000 1.285 378 F HN -0.366 nan 8.300 nan 0.000 0.693 379 T N 2.172 116.832 114.554 0.176 0.000 3.155 379 T HA 0.301 4.651 4.350 0.000 0.000 0.384 379 T C -0.705 174.029 174.700 0.056 0.000 1.351 379 T CA -0.460 61.698 62.100 0.096 0.000 1.198 379 T CB 0.361 69.312 68.868 0.138 0.000 1.106 379 T HN 0.054 nan 8.240 nan 0.000 0.564 380 Q N 1.675 121.479 119.800 0.008 0.000 2.278 380 Q HA 0.596 4.936 4.340 0.000 0.000 0.257 380 Q C -0.135 175.868 176.000 0.004 0.000 0.928 380 Q CA -0.712 55.085 55.803 -0.009 0.000 0.932 380 Q CB 1.754 30.474 28.738 -0.031 0.000 1.221 380 Q HN 0.674 nan 8.270 nan 0.000 0.434 381 A N 3.955 126.772 122.820 -0.004 0.000 2.922 381 A HA 0.176 4.496 4.320 0.000 0.000 0.298 381 A C -0.871 176.720 177.584 0.013 0.000 1.588 381 A CA 0.121 52.163 52.037 0.007 0.000 1.288 381 A CB -0.470 18.522 19.000 -0.013 0.000 1.130 381 A HN 0.801 nan 8.150 nan 0.000 0.557 382 H N 1.910 120.912 119.070 -0.113 0.000 3.083 382 H HA 0.534 5.090 4.556 0.000 0.000 0.339 382 H C -1.170 174.071 175.328 -0.146 0.000 1.020 382 H CA -0.873 55.072 56.048 -0.172 0.000 1.360 382 H CB 1.224 30.842 29.762 -0.240 0.000 1.811 382 H HN 0.644 nan 8.280 nan 0.000 0.493 383 I N 2.392 122.928 120.570 -0.057 0.000 2.603 383 I HA 0.947 5.117 4.170 0.000 0.000 0.300 383 I C -1.169 174.858 176.117 -0.150 0.000 1.017 383 I CA -0.740 60.431 61.300 -0.214 0.000 1.098 383 I CB 2.078 39.756 38.000 -0.536 0.000 1.279 383 I HN 0.576 nan 8.210 nan 0.000 0.437 384 A N 4.079 126.894 122.820 -0.009 0.000 2.612 384 A HA 0.904 5.224 4.320 0.000 0.000 0.293 384 A C -1.160 176.567 177.584 0.238 0.000 1.075 384 A CA -0.961 51.153 52.037 0.127 0.000 0.680 384 A CB 1.875 20.922 19.000 0.079 0.000 1.279 384 A HN 0.964 nan 8.150 nan 0.000 0.411 385 R N 0.194 120.777 120.500 0.139 0.000 2.837 385 R HA 0.785 5.125 4.340 0.000 0.000 0.271 385 R C -0.829 175.174 176.300 -0.495 0.000 0.993 385 R CA -0.799 55.160 56.100 -0.234 0.000 0.931 385 R CB 0.928 30.887 30.300 -0.569 0.000 1.206 385 R HN 0.619 nan 8.270 nan 0.000 0.474 386 R N 0.972 120.937 120.500 -0.892 0.000 2.590 386 R HA 0.110 4.450 4.340 0.000 0.000 0.274 386 R C -0.570 175.425 176.300 -0.508 0.000 1.061 386 R CA -0.125 55.375 56.100 -0.999 0.000 1.081 386 R CB 0.376 30.200 30.300 -0.793 0.000 0.984 386 R HN 0.488 nan 8.270 nan 0.000 0.448 387 W N 2.534 123.529 121.300 -0.510 0.000 2.397 387 W HA 0.046 4.706 4.660 0.000 0.000 0.327 387 W C 0.691 177.032 176.519 -0.297 0.000 1.421 387 W CA 0.039 57.200 57.345 -0.308 0.000 1.288 387 W CB 0.111 29.602 29.460 0.052 0.000 1.312 387 W HN 0.583 nan 8.180 nan 0.000 0.559 388 Q N 1.563 121.326 119.800 -0.061 0.000 2.149 388 Q HA 0.167 4.508 4.340 0.000 0.000 0.221 388 Q C 0.207 176.189 176.000 -0.029 0.000 0.807 388 Q CA -0.027 55.736 55.803 -0.066 0.000 1.000 388 Q CB 1.197 29.869 28.738 -0.110 0.000 1.157 388 Q HN 0.331 nan 8.270 nan 0.000 0.487 389 S N -1.338 114.376 115.700 0.022 0.000 2.579 389 S HA 0.415 4.885 4.470 0.000 0.000 0.272 389 S C -0.570 174.077 174.600 0.078 0.000 1.141 389 S CA -0.599 57.613 58.200 0.019 0.000 0.843 389 S CB 0.578 63.849 63.200 0.118 0.000 1.122 389 S HN 0.196 nan 8.310 nan 0.000 0.468 390 F N 1.842 121.941 119.950 0.249 0.000 2.661 390 F HA 0.326 4.853 4.527 0.000 0.000 0.298 390 F C 1.116 176.963 175.800 0.079 0.000 1.137 390 F CA 0.158 58.287 58.000 0.215 0.000 1.454 390 F CB 0.264 39.366 39.000 0.170 0.000 1.103 390 F HN 0.375 nan 8.300 nan 0.000 0.577 391 N N 0.614 119.441 118.700 0.213 0.000 2.504 391 N HA 0.350 5.090 4.740 0.000 0.000 0.280 391 N C -1.236 174.293 175.510 0.031 0.000 1.052 391 N CA -0.187 52.878 53.050 0.025 0.000 0.887 391 N CB 2.108 40.624 38.487 0.048 0.000 1.323 391 N HN 0.044 nan 8.380 nan 0.000 0.509 392 F N -1.023 118.800 119.950 -0.213 0.000 2.713 392 F HA 0.532 5.059 4.527 0.000 0.000 0.311 392 F C -1.651 173.977 175.800 -0.287 0.000 1.141 392 F CA -1.071 56.740 58.000 -0.315 0.000 0.939 392 F CB 1.236 39.932 39.000 -0.506 0.000 1.325 392 F HN -0.056 nan 8.300 nan 0.000 0.453 393 D N 1.578 121.957 120.400 -0.035 0.000 2.256 393 D HA 0.724 5.364 4.640 0.000 0.000 0.246 393 D C -0.858 175.498 176.300 0.094 0.000 1.042 393 D CA -0.116 53.852 54.000 -0.053 0.000 0.841 393 D CB 1.994 42.731 40.800 -0.106 0.000 1.223 393 D HN 0.988 nan 8.370 nan 0.000 0.470 394 A N 0.836 123.734 122.820 0.130 0.000 2.515 394 A HA 0.952 5.272 4.320 0.000 0.000 0.296 394 A C -0.195 177.409 177.584 0.033 0.000 1.094 394 A CA -0.417 51.679 52.037 0.100 0.000 0.718 394 A CB 2.176 21.341 19.000 0.276 0.000 1.307 394 A HN 0.592 nan 8.150 nan 0.000 0.408 395 G N -1.250 107.486 108.800 -0.107 0.000 2.550 395 G HA2 0.713 4.673 3.960 0.000 0.000 0.293 395 G HA3 0.713 4.673 3.960 0.000 0.000 0.293 395 G C -0.924 173.978 174.900 0.005 0.000 1.402 395 G CA 0.437 45.588 45.100 0.085 0.000 0.784 395 G HN 1.392 nan 8.290 nan 0.000 0.482 396 T N -1.539 113.102 114.554 0.145 0.000 2.693 396 T HA 0.741 5.092 4.350 0.000 0.000 0.304 396 T C -1.072 173.440 174.700 -0.313 0.000 1.471 396 T CA 0.463 62.460 62.100 -0.172 0.000 0.993 396 T CB 1.275 70.306 68.868 0.271 0.000 1.554 396 T HN 1.875 nan 8.240 nan 0.000 0.496 397 S N 0.336 115.712 115.700 -0.540 0.000 2.569 397 S HA 0.867 5.338 4.470 0.000 0.000 0.280 397 S C -1.429 173.055 174.600 -0.193 0.000 1.111 397 S CA -0.702 57.285 58.200 -0.356 0.000 0.887 397 S CB 1.696 64.550 63.200 -0.575 0.000 1.095 397 S HN 0.878 nan 8.310 nan 0.000 0.476 398 V N 1.059 120.799 119.914 -0.289 0.000 2.841 398 V HA 0.568 4.688 4.120 0.000 0.000 0.310 398 V C -1.518 174.423 176.094 -0.255 0.000 1.090 398 V CA -0.588 61.452 62.300 -0.433 0.000 0.930 398 V CB 2.060 33.519 31.823 -0.606 0.000 1.014 398 V HN 1.069 nan 8.190 nan 0.000 0.425 399 E N 5.398 125.469 120.200 -0.215 0.000 2.133 399 E HA 0.520 4.870 4.350 0.000 0.000 0.274 399 E C -1.723 174.879 176.600 0.004 0.000 0.930 399 E CA -0.308 56.035 56.400 -0.094 0.000 0.770 399 E CB 2.138 31.779 29.700 -0.098 0.000 1.104 399 E HN 0.451 nan 8.360 nan 0.000 0.403 400 F N 0.918 120.779 119.950 -0.149 0.000 2.615 400 F HA 0.241 4.768 4.527 0.000 0.000 0.312 400 F C -0.906 174.858 175.800 -0.060 0.000 1.119 400 F CA -0.818 57.116 58.000 -0.110 0.000 0.979 400 F CB 2.190 41.139 39.000 -0.086 0.000 1.266 400 F HN 0.184 nan 8.300 nan 0.000 0.444 401 S N 6.266 121.714 115.700 -0.419 0.000 2.062 401 S HA 0.315 4.785 4.470 0.000 0.000 0.163 401 S C -2.757 171.541 174.600 -0.504 0.000 1.612 401 S CA -0.980 57.019 58.200 -0.335 0.000 1.251 401 S CB 0.319 63.389 63.200 -0.216 0.000 1.174 401 S HN 0.337 nan 8.310 nan 0.000 0.428 402 P HA 0.243 nan 4.420 nan 0.000 0.275 402 P C -0.203 176.906 177.300 -0.317 0.000 1.228 402 P CA -0.277 62.541 63.100 -0.471 0.000 0.786 402 P CB 0.669 32.246 31.700 -0.206 0.000 0.927 403 N N -0.537 117.859 118.700 -0.506 0.000 2.184 403 N HA 0.135 4.875 4.740 0.000 0.000 0.206 403 N C -0.077 174.572 175.510 -1.435 0.000 1.151 403 N CA -0.374 52.160 53.050 -0.860 0.000 0.878 403 N CB 0.507 38.650 38.487 -0.574 0.000 1.014 403 N HN 0.310 nan 8.380 nan 0.000 0.512 404 S N -0.682 114.481 115.700 -0.894 0.000 2.570 404 S HA 0.323 4.793 4.470 0.000 0.000 0.270 404 S C -0.226 174.257 174.600 -0.195 0.000 1.149 404 S CA -0.961 56.737 58.200 -0.837 0.000 0.837 404 S CB 0.047 62.756 63.200 -0.819 0.000 1.124 404 S HN 0.161 nan 8.310 nan 0.000 0.465 405 F N 1.478 121.617 119.950 0.315 0.000 2.494 405 F HA 0.104 4.631 4.527 0.000 0.000 0.298 405 F C 1.870 177.736 175.800 0.111 0.000 1.106 405 F CA 0.732 58.882 58.000 0.251 0.000 1.452 405 F CB -0.733 38.414 39.000 0.245 0.000 1.085 405 F HN 0.592 nan 8.300 nan 0.000 0.569 406 Q N 0.409 120.101 119.800 -0.179 0.000 2.436 406 Q HA -0.028 4.312 4.340 0.000 0.000 0.209 406 Q C -0.018 175.975 176.000 -0.012 0.000 0.965 406 Q CA 0.729 56.496 55.803 -0.059 0.000 0.910 406 Q CB -0.116 28.516 28.738 -0.177 0.000 0.980 406 Q HN 0.590 nan 8.270 nan 0.000 0.491 407 Q N 0.582 120.390 119.800 0.013 0.000 2.337 407 Q HA 0.589 4.929 4.340 0.000 0.000 0.266 407 Q C -0.643 175.517 176.000 0.267 0.000 1.023 407 Q CA -0.220 55.660 55.803 0.128 0.000 0.829 407 Q CB 2.009 30.778 28.738 0.051 0.000 1.306 407 Q HN 0.087 nan 8.270 nan 0.000 0.449 408 M N -0.299 119.461 119.600 0.267 0.000 2.465 408 M HA 0.957 5.437 4.480 0.000 0.000 0.284 408 M C -1.853 174.341 176.300 -0.177 0.000 1.212 408 M CA -1.036 54.347 55.300 0.137 0.000 0.910 408 M CB 2.241 34.668 32.600 -0.288 0.000 1.725 408 M HN 0.562 nan 8.290 nan 0.000 0.477 409 A N 1.058 123.693 122.820 -0.308 0.000 2.520 409 A HA 1.045 5.365 4.320 0.000 0.000 0.298 409 A C -0.474 177.130 177.584 0.033 0.000 1.051 409 A CA 0.101 51.887 52.037 -0.418 0.000 0.690 409 A CB 1.739 20.019 19.000 -1.201 0.000 1.281 409 A HN 1.711 nan 8.150 nan 0.000 0.402 410 G N -0.351 108.575 108.800 0.210 0.000 2.392 410 G HA2 0.554 4.515 3.960 0.000 0.000 0.260 410 G HA3 0.554 4.515 3.960 0.000 0.000 0.260 410 G C -1.968 173.119 174.900 0.311 0.000 1.226 410 G CA -0.094 45.225 45.100 0.366 0.000 0.913 410 G HN 1.514 nan 8.290 nan 0.000 0.483 411 L N 1.385 122.706 121.223 0.162 0.000 2.334 411 L HA 0.828 5.168 4.340 0.000 0.000 0.275 411 L C 0.579 177.563 176.870 0.189 0.000 1.036 411 L CA 0.185 55.173 54.840 0.246 0.000 0.807 411 L CB 1.869 44.115 42.059 0.312 0.000 1.231 411 L HN 1.042 nan 8.230 nan 0.000 0.438 412 T N 0.758 115.525 114.554 0.355 0.000 2.900 412 T HA 0.616 4.966 4.350 0.000 0.000 0.295 412 T C -0.918 174.155 174.700 0.621 0.000 1.044 412 T CA -0.675 61.686 62.100 0.436 0.000 0.995 412 T CB 1.103 70.177 68.868 0.342 0.000 1.072 412 T HN 0.623 nan 8.240 nan 0.000 0.473 413 C N 2.899 122.610 119.300 0.684 0.000 2.319 413 C HA 0.744 5.204 4.460 0.000 0.000 0.323 413 C C -1.049 174.333 174.990 0.653 0.000 1.277 413 C CA -0.777 58.632 59.018 0.651 0.000 1.517 413 C CB -0.773 27.244 27.740 0.462 0.000 2.206 413 C HN 0.940 nan 8.230 nan 0.000 0.486 414 Y N 1.973 122.548 120.300 0.459 0.000 2.421 414 Y HA 0.475 5.025 4.550 0.000 0.000 0.339 414 Y C -0.302 175.821 175.900 0.371 0.000 0.996 414 Y CA -0.495 57.887 58.100 0.470 0.000 1.046 414 Y CB 1.000 39.758 38.460 0.497 0.000 1.226 414 Y HN 0.756 nan 8.280 nan 0.000 0.445 415 Y N 4.181 124.432 120.300 -0.082 0.000 2.569 415 Y HA 0.258 4.808 4.550 0.000 0.000 0.278 415 Y C -0.075 175.699 175.900 -0.211 0.000 1.130 415 Y CA 0.742 58.805 58.100 -0.062 0.000 1.280 415 Y CB 0.541 38.949 38.460 -0.088 0.000 1.379 415 Y HN 0.744 nan 8.280 nan 0.000 0.508 416 N N -2.185 116.382 118.700 -0.221 0.000 3.243 416 N HA 0.081 4.821 4.740 0.000 0.000 0.280 416 N C 0.222 175.620 175.510 -0.186 0.000 1.545 416 N CA 0.168 53.110 53.050 -0.180 0.000 0.854 416 N CB 0.399 38.961 38.487 0.125 0.000 1.612 416 N HN 0.023 nan 8.380 nan 0.000 0.577 417 T N -3.254 111.380 114.554 0.133 0.000 3.051 417 T HA -0.088 4.263 4.350 0.000 0.000 0.269 417 T C 0.535 175.533 174.700 0.496 0.000 1.127 417 T CA 1.578 63.906 62.100 0.379 0.000 1.107 417 T CB -0.571 68.476 68.868 0.299 0.000 0.898 417 T HN 0.787 nan 8.240 nan 0.000 0.517 418 E N -0.071 120.250 120.200 0.203 0.000 2.758 418 E HA 0.229 4.579 4.350 0.000 0.000 0.215 418 E C -0.464 175.948 176.600 -0.314 0.000 0.985 418 E CA -0.757 55.632 56.400 -0.017 0.000 1.102 418 E CB 0.355 30.041 29.700 -0.024 0.000 1.042 418 E HN 0.224 nan 8.360 nan 0.000 0.480 419 N N 2.138 120.694 118.700 -0.239 0.000 2.581 419 N HA 0.197 4.937 4.740 0.000 0.000 0.279 419 N C -1.598 173.869 175.510 -0.072 0.000 1.124 419 N CA -0.377 52.534 53.050 -0.232 0.000 0.833 419 N CB 1.096 39.519 38.487 -0.106 0.000 1.338 419 N HN 0.325 nan 8.380 nan 0.000 0.533 420 W N 0.227 121.542 121.300 0.024 0.000 3.002 420 W HA 0.416 5.076 4.660 0.000 0.000 0.346 420 W C -1.474 175.192 176.519 0.244 0.000 1.158 420 W CA -0.937 56.499 57.345 0.152 0.000 1.150 420 W CB 0.276 29.865 29.460 0.215 0.000 1.446 420 W HN 0.276 nan 8.180 nan 0.000 0.564 421 S N 0.567 116.760 115.700 0.822 0.000 2.569 421 S HA 0.747 5.218 4.470 0.000 0.000 0.280 421 S C -1.312 173.721 174.600 0.722 0.000 1.111 421 S CA -0.688 57.974 58.200 0.771 0.000 0.887 421 S CB 2.204 65.833 63.200 0.715 0.000 1.095 421 S HN 0.962 nan 8.310 nan 0.000 0.476 422 S N 1.476 117.478 115.700 0.503 0.000 2.614 422 S HA 0.578 5.048 4.470 0.000 0.000 0.275 422 S C -1.219 173.302 174.600 -0.131 0.000 1.161 422 S CA -0.773 57.557 58.200 0.218 0.000 0.969 422 S CB 0.697 64.062 63.200 0.275 0.000 1.059 422 S HN 0.896 nan 8.310 nan 0.000 0.482 423 I N 5.491 125.718 120.570 -0.571 0.000 2.377 423 I HA 0.703 4.873 4.170 0.000 0.000 0.293 423 I C -1.066 174.526 176.117 -0.874 0.000 0.987 423 I CA -0.302 60.461 61.300 -0.896 0.000 1.185 423 I CB 0.786 38.074 38.000 -1.187 0.000 1.341 423 I HN 1.026 nan 8.210 nan 0.000 0.455 424 H N 4.267 123.055 119.070 -0.470 0.000 3.042 424 H HA 0.498 5.054 4.556 0.000 0.000 0.346 424 H C -1.620 173.835 175.328 0.210 0.000 1.294 424 H CA -0.987 54.990 56.048 -0.119 0.000 1.141 424 H CB 0.912 30.652 29.762 -0.037 0.000 1.872 424 H HN 0.169 nan 8.280 nan 0.000 0.541 425 V N 1.801 122.040 119.914 0.540 0.000 2.461 425 V HA 0.478 4.598 4.120 0.000 0.000 0.275 425 V C 0.429 176.833 176.094 0.517 0.000 1.047 425 V CA 0.540 63.132 62.300 0.486 0.000 0.955 425 V CB 0.665 32.757 31.823 0.447 0.000 0.988 425 V HN 1.028 nan 8.190 nan 0.000 0.471 426 T N 3.761 118.579 114.554 0.438 0.000 2.572 426 T HA 0.625 4.975 4.350 0.000 0.000 0.274 426 T C -2.192 172.732 174.700 0.373 0.000 0.949 426 T CA -0.554 61.790 62.100 0.407 0.000 1.126 426 T CB 1.419 70.531 68.868 0.406 0.000 1.478 426 T HN 0.679 nan 8.240 nan 0.000 0.492 427 W N 2.104 123.491 121.300 0.145 0.000 3.138 427 W HA 0.644 5.304 4.660 0.000 0.000 0.331 427 W C -1.457 175.159 176.519 0.161 0.000 1.166 427 W CA -0.508 56.896 57.345 0.098 0.000 1.212 427 W CB 1.323 30.793 29.460 0.016 0.000 1.399 427 W HN 0.915 nan 8.180 nan 0.000 0.514 428 N N 1.849 120.213 118.700 -0.561 0.000 2.647 428 N HA 0.305 5.046 4.740 0.000 0.000 0.266 428 N C -0.125 174.593 175.510 -1.319 0.000 1.373 428 N CA -0.600 52.091 53.050 -0.598 0.000 0.807 428 N CB 1.462 39.863 38.487 -0.143 0.000 1.513 428 N HN 0.475 nan 8.380 nan 0.000 0.505 429 E N 0.053 119.808 120.200 -0.741 0.000 2.072 429 E HA -0.137 4.214 4.350 0.000 0.000 0.191 429 E C 1.095 177.494 176.600 -0.335 0.000 0.985 429 E CA 1.511 57.610 56.400 -0.501 0.000 0.801 429 E CB -0.007 29.640 29.700 -0.088 0.000 0.750 429 E HN 0.843 nan 8.360 nan 0.000 0.452 430 E N 0.512 120.562 120.200 -0.250 0.000 2.208 430 E HA -0.109 4.242 4.350 0.000 0.000 0.193 430 E C 0.886 177.386 176.600 -0.166 0.000 0.988 430 E CA 1.001 57.309 56.400 -0.154 0.000 0.828 430 E CB 0.255 29.892 29.700 -0.104 0.000 0.763 430 E HN 0.085 nan 8.360 nan 0.000 0.478 431 K N -1.320 118.935 120.400 -0.242 0.000 2.558 431 K HA 0.262 4.582 4.320 0.000 0.000 0.215 431 K C 0.560 177.023 176.600 -0.229 0.000 1.298 431 K CA 0.131 56.308 56.287 -0.184 0.000 1.008 431 K CB 1.713 34.138 32.500 -0.125 0.000 1.073 431 K HN 0.204 nan 8.250 nan 0.000 0.606 432 G N 2.726 111.264 108.800 -0.435 0.000 2.528 432 G HA2 -0.320 3.640 3.960 0.000 0.000 0.262 432 G HA3 -0.320 3.640 3.960 0.000 0.000 0.262 432 G C -0.753 173.972 174.900 -0.292 0.000 1.200 432 G CA -0.427 44.401 45.100 -0.452 0.000 0.951 432 G HN 0.208 nan 8.290 nan 0.000 0.566 433 R N 0.681 121.174 120.500 -0.012 0.000 2.522 433 R HA 0.417 4.757 4.340 0.000 0.000 0.284 433 R C 0.567 176.887 176.300 0.032 0.000 1.032 433 R CA 1.178 57.325 56.100 0.079 0.000 1.049 433 R CB -0.240 30.109 30.300 0.081 0.000 0.956 433 R HN 0.720 nan 8.270 nan 0.000 0.422 434 I N -0.912 119.711 120.570 0.087 0.000 3.095 434 I HA 0.497 4.667 4.170 0.000 0.000 0.310 434 I C -0.528 175.671 176.117 0.138 0.000 1.196 434 I CA -1.298 60.048 61.300 0.077 0.000 0.985 434 I CB 1.860 39.884 38.000 0.040 0.000 1.250 434 I HN 0.349 nan 8.210 nan 0.000 0.446 435 I N 2.454 123.077 120.570 0.088 0.000 2.353 435 I HA 0.429 4.599 4.170 0.000 0.000 0.293 435 I C -0.678 175.424 176.117 -0.025 0.000 0.992 435 I CA 0.279 61.623 61.300 0.073 0.000 1.268 435 I CB 1.183 39.179 38.000 -0.007 0.000 1.387 435 I HN 0.598 nan 8.210 nan 0.000 0.478 436 D N 5.090 125.406 120.400 -0.139 0.000 2.592 436 D HA 0.646 5.287 4.640 0.000 0.000 0.263 436 D C -1.736 174.249 176.300 -0.525 0.000 1.132 436 D CA -0.462 53.422 54.000 -0.193 0.000 0.996 436 D CB 2.429 43.251 40.800 0.037 0.000 1.442 436 D HN 0.210 nan 8.370 nan 0.000 0.486 437 L N 1.220 122.292 121.223 -0.252 0.000 2.436 437 L HA 0.679 5.019 4.340 0.000 0.000 0.268 437 L C -1.740 175.183 176.870 0.087 0.000 0.974 437 L CA -0.522 54.218 54.840 -0.167 0.000 0.826 437 L CB 1.769 43.795 42.059 -0.055 0.000 1.291 437 L HN 0.219 nan 8.230 nan 0.000 0.406 438 V N 2.731 122.803 119.914 0.262 0.000 2.789 438 V HA 0.814 4.935 4.120 0.000 0.000 0.311 438 V C -0.245 176.103 176.094 0.424 0.000 1.073 438 V CA -0.197 62.341 62.300 0.397 0.000 0.921 438 V CB 2.321 34.499 31.823 0.593 0.000 1.009 438 V HN 0.903 nan 8.190 nan 0.000 0.426 439 T N 0.796 115.471 114.554 0.201 0.000 2.907 439 T HA 0.905 5.255 4.350 0.000 0.000 0.292 439 T C -0.600 173.869 174.700 -0.386 0.000 1.043 439 T CA -0.604 61.494 62.100 -0.004 0.000 1.003 439 T CB 2.118 70.984 68.868 -0.003 0.000 1.084 439 T HN 1.211 nan 8.240 nan 0.000 0.483 440 A N 1.629 123.960 122.820 -0.815 0.000 2.343 440 A HA 0.701 5.021 4.320 0.000 0.000 0.308 440 A C -1.084 176.099 177.584 -0.669 0.000 1.092 440 A CA -0.654 50.758 52.037 -1.043 0.000 0.751 440 A CB 1.360 19.297 19.000 -1.771 0.000 1.203 440 A HN 0.860 nan 8.150 nan 0.000 0.452 441 D N 2.530 122.596 120.400 -0.556 0.000 2.358 441 D HA 0.214 4.855 4.640 0.000 0.000 0.253 441 D C -0.320 175.818 176.300 -0.269 0.000 1.288 441 D CA -0.164 53.655 54.000 -0.303 0.000 0.950 441 D CB 0.089 40.754 40.800 -0.225 0.000 1.197 441 D HN 0.414 nan 8.370 nan 0.000 0.550 442 N N 2.919 121.483 118.700 -0.225 0.000 2.707 442 N HA -0.197 4.543 4.740 0.000 0.000 0.253 442 N C 1.023 176.365 175.510 -0.280 0.000 0.998 442 N CA 1.613 54.528 53.050 -0.226 0.000 0.751 442 N CB -1.061 37.291 38.487 -0.225 0.000 0.920 442 N HN 0.900 nan 8.380 nan 0.000 0.539 443 G N -2.431 106.101 108.800 -0.447 0.000 2.179 443 G HA2 -0.307 3.653 3.960 0.000 0.000 0.260 443 G HA3 -0.307 3.653 3.960 0.000 0.000 0.260 443 G C 0.169 174.654 174.900 -0.692 0.000 0.977 443 G CA 0.627 45.402 45.100 -0.542 0.000 0.641 443 G HN 0.503 nan 8.290 nan 0.000 0.533 444 T N 1.278 115.455 114.554 -0.627 0.000 2.733 444 T HA 0.584 4.934 4.350 0.000 0.000 0.294 444 T C -0.265 174.064 174.700 -0.618 0.000 0.956 444 T CA -0.107 61.728 62.100 -0.442 0.000 0.987 444 T CB 0.519 69.251 68.868 -0.226 0.000 0.920 444 T HN 0.214 nan 8.240 nan 0.000 0.470 445 F N 1.923 121.819 119.950 -0.090 0.000 2.408 445 F HA 0.553 5.080 4.527 0.000 0.000 0.344 445 F C 0.977 176.745 175.800 -0.053 0.000 1.112 445 F CA -0.594 57.342 58.000 -0.106 0.000 1.096 445 F CB 1.471 40.448 39.000 -0.038 0.000 1.129 445 F HN 0.405 nan 8.300 nan 0.000 0.486 446 S N 3.310 119.072 115.700 0.103 0.000 2.570 446 S HA 0.654 5.124 4.470 0.000 0.000 0.286 446 S C -0.592 174.072 174.600 0.106 0.000 1.099 446 S CA -0.875 57.369 58.200 0.073 0.000 0.913 446 S CB 1.953 65.159 63.200 0.009 0.000 1.085 446 S HN 0.555 nan 8.310 nan 0.000 0.480 447 M N 2.906 122.559 119.600 0.088 0.000 1.986 447 M HA 0.265 4.746 4.480 0.000 0.000 0.247 447 M C -2.136 174.201 176.300 0.061 0.000 0.851 447 M CA -1.740 53.616 55.300 0.094 0.000 0.785 447 M CB 1.565 34.226 32.600 0.101 0.000 1.554 447 M HN 0.348 nan 8.290 nan 0.000 0.361 448 P HA -0.035 nan 4.420 nan 0.000 0.226 448 P C 0.887 178.209 177.300 0.035 0.000 1.153 448 P CA 0.924 64.046 63.100 0.037 0.000 0.777 448 P CB 0.333 32.053 31.700 0.032 0.000 0.794 449 L N -1.092 120.153 121.223 0.037 0.000 2.611 449 L HA 0.249 4.590 4.340 0.000 0.000 0.229 449 L C 0.851 177.736 176.870 0.025 0.000 1.137 449 L CA -0.603 54.254 54.840 0.029 0.000 0.901 449 L CB -0.513 41.556 42.059 0.017 0.000 1.098 449 L HN -0.124 nan 8.230 nan 0.000 0.456 450 A N 0.079 122.917 122.820 0.029 0.000 2.566 450 A HA 0.335 4.656 4.320 0.000 0.000 0.245 450 A C 1.494 179.085 177.584 0.013 0.000 1.056 450 A CA 0.916 52.967 52.037 0.023 0.000 0.757 450 A CB -0.199 18.815 19.000 0.024 0.000 0.979 450 A HN 0.639 nan 8.150 nan 0.000 0.508 451 G N 1.276 110.079 108.800 0.005 0.000 2.267 451 G HA2 0.006 3.966 3.960 0.000 0.000 0.257 451 G HA3 0.006 3.966 3.960 0.000 0.000 0.257 451 G C 0.812 175.713 174.900 0.001 0.000 0.998 451 G CA 0.820 45.919 45.100 -0.001 0.000 0.620 451 G HN 2.242 nan 8.290 nan 0.000 0.529 452 A N 0.160 122.985 122.820 0.008 0.000 2.637 452 A HA 0.669 4.989 4.320 0.000 0.000 0.293 452 A C 0.475 178.063 177.584 0.008 0.000 1.216 452 A CA 0.510 52.554 52.037 0.011 0.000 0.956 452 A CB 0.188 19.201 19.000 0.021 0.000 1.174 452 A HN 0.466 nan 8.150 nan 0.000 0.525 453 E N -0.200 120.000 120.200 0.001 0.000 2.404 453 E HA 0.327 4.677 4.350 0.000 0.000 0.261 453 E C -0.525 176.068 176.600 -0.013 0.000 1.074 453 E CA 0.431 56.828 56.400 -0.006 0.000 0.917 453 E CB 0.651 30.351 29.700 -0.000 0.000 0.965 453 E HN 0.449 nan 8.360 nan 0.000 0.433 454 I N 4.047 124.597 120.570 -0.032 0.000 2.307 454 I HA 0.246 4.416 4.170 0.000 0.000 0.289 454 I C -2.188 173.941 176.117 0.021 0.000 1.021 454 I CA -2.419 58.859 61.300 -0.036 0.000 1.224 454 I CB 1.057 38.939 38.000 -0.197 0.000 1.376 454 I HN 0.219 nan 8.210 nan 0.000 0.470 455 P HA 0.151 nan 4.420 nan 0.000 0.268 455 P C -0.592 176.742 177.300 0.057 0.000 1.205 455 P CA 0.133 63.250 63.100 0.027 0.000 0.771 455 P CB 0.520 32.225 31.700 0.008 0.000 0.858 456 I N 5.140 125.691 120.570 -0.030 0.000 2.330 456 I HA 0.291 4.461 4.170 0.000 0.000 0.289 456 I C -2.061 173.917 176.117 -0.231 0.000 1.001 456 I CA -2.578 58.590 61.300 -0.220 0.000 1.193 456 I CB 1.337 39.236 38.000 -0.170 0.000 1.345 456 I HN 0.151 nan 8.210 nan 0.000 0.461 457 P HA 0.059 nan 4.420 nan 0.000 0.269 457 P C 0.074 177.277 177.300 -0.162 0.000 1.215 457 P CA -0.143 62.848 63.100 -0.182 0.000 0.780 457 P CB 0.711 32.307 31.700 -0.173 0.000 0.898 458 D N 1.122 121.466 120.400 -0.094 0.000 2.190 458 D HA -0.161 4.479 4.640 0.000 0.000 0.200 458 D C 1.309 177.563 176.300 -0.078 0.000 0.992 458 D CA 1.419 55.376 54.000 -0.072 0.000 0.854 458 D CB -0.121 40.654 40.800 -0.042 0.000 0.936 458 D HN 0.468 nan 8.370 nan 0.000 0.462 459 E N -0.429 119.723 120.200 -0.081 0.000 2.338 459 E HA -0.015 4.335 4.350 0.000 0.000 0.197 459 E C 0.251 176.801 176.600 -0.083 0.000 1.007 459 E CA 0.140 56.501 56.400 -0.065 0.000 0.849 459 E CB 0.245 29.917 29.700 -0.046 0.000 0.774 459 E HN 0.047 nan 8.360 nan 0.000 0.506 460 V N 1.853 121.676 119.914 -0.152 0.000 2.389 460 V HA 0.065 4.185 4.120 0.000 0.000 0.264 460 V C 1.196 177.215 176.094 -0.125 0.000 1.049 460 V CA 0.006 62.199 62.300 -0.178 0.000 0.932 460 V CB 1.285 32.843 31.823 -0.442 0.000 1.011 460 V HN 0.069 nan 8.190 nan 0.000 0.475 461 K N 3.198 123.562 120.400 -0.061 0.000 2.211 461 K HA 0.085 4.405 4.320 0.000 0.000 0.201 461 K C 0.491 177.065 176.600 -0.043 0.000 1.052 461 K CA 0.694 56.954 56.287 -0.046 0.000 0.973 461 K CB 0.386 32.874 32.500 -0.020 0.000 0.766 461 K HN 0.677 nan 8.250 nan 0.000 0.466 462 T N 1.037 115.575 114.554 -0.027 0.000 2.809 462 T HA 0.373 4.723 4.350 0.000 0.000 0.284 462 T C -1.247 173.416 174.700 -0.061 0.000 0.992 462 T CA -0.701 61.360 62.100 -0.065 0.000 0.957 462 T CB 1.967 70.811 68.868 -0.041 0.000 0.942 462 T HN -0.214 nan 8.240 nan 0.000 0.439 463 V N 4.924 124.743 119.914 -0.157 0.000 2.417 463 V HA 0.375 4.495 4.120 0.000 0.000 0.291 463 V C -0.088 175.775 176.094 -0.384 0.000 1.024 463 V CA -0.921 61.296 62.300 -0.139 0.000 0.861 463 V CB 1.045 32.740 31.823 -0.213 0.000 0.985 463 V HN 0.852 nan 8.190 nan 0.000 0.436 464 H N 4.431 123.405 119.070 -0.161 0.000 2.473 464 H HA 0.524 5.080 4.556 0.000 0.000 0.327 464 H C -1.285 174.051 175.328 0.012 0.000 1.105 464 H CA -0.252 55.786 56.048 -0.016 0.000 1.280 464 H CB 1.650 31.513 29.762 0.168 0.000 1.450 464 H HN 0.422 nan 8.280 nan 0.000 0.492 465 F N 1.290 121.536 119.950 0.493 0.000 2.532 465 F HA 0.402 4.929 4.527 0.000 0.000 0.321 465 F C 0.314 176.387 175.800 0.455 0.000 1.089 465 F CA -0.861 57.416 58.000 0.462 0.000 0.926 465 F CB 2.022 41.217 39.000 0.325 0.000 1.168 465 F HN 0.331 nan 8.300 nan 0.000 0.459 466 K N 1.375 122.148 120.400 0.620 0.000 2.469 466 K HA 0.800 5.121 4.320 0.000 0.000 0.254 466 K C -2.168 174.644 176.600 0.354 0.000 0.939 466 K CA -0.783 55.700 56.287 0.326 0.000 0.812 466 K CB 2.850 35.337 32.500 -0.022 0.000 1.301 466 K HN 0.550 nan 8.250 nan 0.000 0.433 467 V N 2.131 122.176 119.914 0.218 0.000 2.656 467 V HA 0.538 4.658 4.120 0.000 0.000 0.307 467 V C -1.432 174.599 176.094 -0.104 0.000 1.051 467 V CA -0.308 62.036 62.300 0.073 0.000 0.893 467 V CB 2.085 33.930 31.823 0.036 0.000 0.999 467 V HN 0.836 nan 8.190 nan 0.000 0.426 468 S N 5.237 120.837 115.700 -0.166 0.000 2.594 468 S HA 0.540 5.010 4.470 0.000 0.000 0.322 468 S C -0.628 173.779 174.600 -0.322 0.000 1.085 468 S CA -0.410 57.644 58.200 -0.244 0.000 1.116 468 S CB 1.377 64.484 63.200 -0.154 0.000 0.979 468 S HN 0.610 nan 8.310 nan 0.000 0.465 469 V N 5.281 124.819 119.914 -0.626 0.000 2.383 469 V HA 0.489 4.609 4.120 0.000 0.000 0.275 469 V C 0.033 175.887 176.094 -0.399 0.000 1.036 469 V CA -0.502 61.386 62.300 -0.688 0.000 0.889 469 V CB 0.850 31.698 31.823 -1.625 0.000 0.985 469 V HN 0.640 nan 8.190 nan 0.000 0.459 470 R N 4.226 124.632 120.500 -0.158 0.000 2.547 470 R HA 0.477 4.817 4.340 0.000 0.000 0.280 470 R C 0.751 177.075 176.300 0.039 0.000 1.630 470 R CA 0.293 56.359 56.100 -0.057 0.000 1.470 470 R CB 0.974 31.242 30.300 -0.053 0.000 1.178 470 R HN 0.997 nan 8.270 nan 0.000 0.591 471 G N 2.594 111.462 108.800 0.113 0.000 2.596 471 G HA2 -0.450 3.511 3.960 0.000 0.000 0.304 471 G HA3 -0.450 3.511 3.960 0.000 0.000 0.304 471 G C 0.972 176.014 174.900 0.238 0.000 1.189 471 G CA 0.518 45.722 45.100 0.174 0.000 0.986 471 G HN 0.557 nan 8.290 nan 0.000 0.548 472 R N 0.148 120.759 120.500 0.185 0.000 2.189 472 R HA 0.193 4.533 4.340 0.000 0.000 0.223 472 R C 1.079 177.549 176.300 0.284 0.000 1.092 472 R CA 1.038 57.300 56.100 0.270 0.000 0.989 472 R CB -0.110 30.296 30.300 0.176 0.000 0.876 472 R HN 0.483 nan 8.270 nan 0.000 0.457 473 I N 0.042 120.717 120.570 0.174 0.000 2.603 473 I HA 0.289 4.459 4.170 0.000 0.000 0.300 473 I C -0.741 175.454 176.117 0.130 0.000 1.017 473 I CA -1.428 59.934 61.300 0.103 0.000 1.098 473 I CB 1.799 39.813 38.000 0.023 0.000 1.279 473 I HN -0.074 nan 8.210 nan 0.000 0.437 474 Y N 2.054 122.315 120.300 -0.064 0.000 2.545 474 Y HA 0.753 5.303 4.550 0.000 0.000 0.348 474 Y C -1.255 174.535 175.900 -0.183 0.000 1.002 474 Y CA -0.937 57.060 58.100 -0.172 0.000 1.039 474 Y CB 1.380 39.706 38.460 -0.225 0.000 1.271 474 Y HN 0.439 nan 8.280 nan 0.000 0.467 475 Q N 1.834 121.568 119.800 -0.111 0.000 2.397 475 Q HA 0.395 4.735 4.340 0.000 0.000 0.275 475 Q C -1.859 174.095 176.000 -0.076 0.000 1.090 475 Q CA -1.044 54.685 55.803 -0.125 0.000 0.809 475 Q CB 3.267 31.977 28.738 -0.048 0.000 1.362 475 Q HN 0.835 nan 8.270 nan 0.000 0.431 476 Y N 0.037 120.414 120.300 0.128 0.000 2.376 476 Y HA 0.707 5.257 4.550 0.000 0.000 0.325 476 Y C 0.169 176.187 175.900 0.197 0.000 1.199 476 Y CA -0.599 57.608 58.100 0.179 0.000 1.206 476 Y CB 1.797 40.362 38.460 0.175 0.000 1.229 476 Y HN 0.670 nan 8.280 nan 0.000 0.480 477 A N 2.040 125.142 122.820 0.469 0.000 2.566 477 A HA 0.795 5.115 4.320 0.000 0.000 0.292 477 A C -2.024 175.949 177.584 0.648 0.000 1.112 477 A CA -0.699 51.596 52.037 0.429 0.000 0.707 477 A CB 1.208 20.374 19.000 0.276 0.000 1.302 477 A HN 0.749 nan 8.150 nan 0.000 0.409 478 Y N -1.099 119.478 120.300 0.461 0.000 2.581 478 Y HA 0.871 5.421 4.550 0.000 0.000 0.345 478 Y C -0.375 175.498 175.900 -0.045 0.000 1.036 478 Y CA -0.848 57.464 58.100 0.354 0.000 1.042 478 Y CB 1.538 40.169 38.460 0.286 0.000 1.289 478 Y HN 0.902 nan 8.280 nan 0.000 0.471 479 S N 1.132 116.704 115.700 -0.213 0.000 2.536 479 S HA 0.550 5.020 4.470 0.000 0.000 0.271 479 S C -1.186 173.394 174.600 -0.034 0.000 1.134 479 S CA -0.623 57.239 58.200 -0.565 0.000 0.897 479 S CB 0.550 62.862 63.200 -1.480 0.000 1.094 479 S HN 0.588 nan 8.310 nan 0.000 0.473 480 F N 2.424 122.400 119.950 0.043 0.000 2.727 480 F HA 0.272 4.799 4.527 0.000 0.000 0.302 480 F C 1.403 177.239 175.800 0.059 0.000 1.097 480 F CA -0.329 57.727 58.000 0.093 0.000 1.330 480 F CB 0.154 39.220 39.000 0.110 0.000 1.084 480 F HN 0.706 nan 8.300 nan 0.000 0.578 481 D N -3.053 117.404 120.400 0.096 0.000 2.490 481 D HA 0.227 4.867 4.640 0.000 0.000 0.246 481 D C 1.694 177.900 176.300 -0.156 0.000 1.196 481 D CA 0.785 54.803 54.000 0.030 0.000 0.812 481 D CB 0.072 40.886 40.800 0.023 0.000 1.191 481 D HN 0.129 nan 8.370 nan 0.000 0.531 482 G N 0.667 109.105 108.800 -0.603 0.000 2.175 482 G HA2 -0.343 3.617 3.960 0.000 0.000 0.244 482 G HA3 -0.343 3.617 3.960 0.000 0.000 0.244 482 G C 0.659 175.374 174.900 -0.309 0.000 0.982 482 G CA 0.616 45.202 45.100 -0.856 0.000 0.641 482 G HN 0.528 nan 8.290 nan 0.000 0.527 483 E N -1.032 119.013 120.200 -0.258 0.000 2.905 483 E HA 0.180 4.530 4.350 0.000 0.000 0.197 483 E C 0.281 176.866 176.600 -0.025 0.000 1.016 483 E CA 0.640 57.004 56.400 -0.060 0.000 1.307 483 E CB 0.579 30.245 29.700 -0.056 0.000 1.255 483 E HN 0.262 nan 8.360 nan 0.000 0.527 484 T N 1.242 115.689 114.554 -0.178 0.000 2.744 484 T HA 0.417 4.767 4.350 0.000 0.000 0.291 484 T C -0.983 173.435 174.700 -0.469 0.000 0.957 484 T CA -0.252 61.716 62.100 -0.219 0.000 1.002 484 T CB 0.373 69.112 68.868 -0.216 0.000 0.919 484 T HN -0.001 nan 8.240 nan 0.000 0.468 485 F N 2.271 121.951 119.950 -0.449 0.000 2.492 485 F HA 0.414 4.941 4.527 0.000 0.000 0.327 485 F C 0.826 176.191 175.800 -0.724 0.000 1.079 485 F CA -0.921 56.791 58.000 -0.479 0.000 0.967 485 F CB 1.425 40.291 39.000 -0.224 0.000 1.169 485 F HN 0.485 nan 8.300 nan 0.000 0.472 486 H N 1.141 120.006 119.070 -0.340 0.000 2.505 486 H HA 0.308 4.864 4.556 0.000 0.000 0.338 486 H C -0.658 174.563 175.328 -0.177 0.000 1.057 486 H CA -0.579 55.255 56.048 -0.355 0.000 1.202 486 H CB 1.701 31.049 29.762 -0.690 0.000 1.466 486 H HN 0.444 nan 8.280 nan 0.000 0.499 487 T N 4.536 119.133 114.554 0.072 0.000 2.817 487 T HA 0.249 4.599 4.350 0.000 0.000 0.293 487 T C 1.082 175.882 174.700 0.167 0.000 0.964 487 T CA -0.691 61.483 62.100 0.125 0.000 1.085 487 T CB 0.651 69.562 68.868 0.072 0.000 0.921 487 T HN 0.245 nan 8.240 nan 0.000 0.502 488 L N 5.830 127.185 121.223 0.221 0.000 2.416 488 L HA 0.249 4.589 4.340 0.000 0.000 0.272 488 L C -1.480 175.464 176.870 0.123 0.000 1.161 488 L CA -1.770 53.190 54.840 0.199 0.000 0.845 488 L CB 0.364 42.557 42.059 0.222 0.000 1.119 488 L HN 0.424 nan 8.230 nan 0.000 0.464 489 P HA 0.235 nan 4.420 nan 0.000 0.225 489 P C -0.647 176.677 177.300 0.039 0.000 1.813 489 P CA 0.280 63.415 63.100 0.057 0.000 1.013 489 P CB 0.145 31.876 31.700 0.052 0.000 1.961 490 I N -0.293 120.295 120.570 0.030 0.000 2.692 490 I HA 0.299 4.469 4.170 0.000 0.000 0.293 490 I C -1.067 175.018 176.117 -0.053 0.000 1.200 490 I CA -0.909 60.389 61.300 -0.004 0.000 1.036 490 I CB 2.914 40.919 38.000 0.008 0.000 1.258 490 I HN -0.146 nan 8.210 nan 0.000 0.421 491 E N 7.310 127.462 120.200 -0.080 0.000 2.055 491 E HA 0.365 4.715 4.350 0.000 0.000 0.274 491 E C -1.259 175.210 176.600 -0.218 0.000 0.949 491 E CA -0.707 55.616 56.400 -0.129 0.000 0.775 491 E CB 1.555 31.214 29.700 -0.068 0.000 1.097 491 E HN 0.386 nan 8.360 nan 0.000 0.404 492 L N 5.352 126.313 121.223 -0.437 0.000 2.395 492 L HA 0.274 4.614 4.340 0.000 0.000 0.269 492 L C -2.031 174.510 176.870 -0.548 0.000 1.133 492 L CA -1.707 52.735 54.840 -0.662 0.000 0.812 492 L CB 0.225 41.502 42.059 -1.303 0.000 1.125 492 L HN 0.351 nan 8.230 nan 0.000 0.452 493 P HA 0.178 nan 4.420 nan 0.000 0.291 493 P C -0.146 177.003 177.300 -0.252 0.000 1.340 493 P CA -0.319 62.494 63.100 -0.479 0.000 0.799 493 P CB 1.323 32.372 31.700 -1.086 0.000 0.917 494 S N 3.216 119.025 115.700 0.182 0.000 2.399 494 S HA -0.092 4.378 4.470 0.000 0.000 0.231 494 S C 1.451 176.119 174.600 0.113 0.000 1.022 494 S CA 0.835 59.276 58.200 0.402 0.000 0.983 494 S CB -0.594 62.967 63.200 0.601 0.000 0.803 494 S HN 0.675 nan 8.310 nan 0.000 0.480 495 W N 2.021 123.313 121.300 -0.013 0.000 2.699 495 W HA 0.155 4.815 4.660 0.000 0.000 0.249 495 W C 0.882 177.136 176.519 -0.441 0.000 1.280 495 W CA 0.291 57.535 57.345 -0.168 0.000 1.345 495 W CB -0.602 28.663 29.460 -0.325 0.000 1.128 495 W HN 0.263 nan 8.180 nan 0.000 0.642 496 K N 1.122 120.885 120.400 -1.062 0.000 2.296 496 K HA 0.046 4.366 4.320 0.000 0.000 0.200 496 K C 1.092 177.411 176.600 -0.468 0.000 1.048 496 K CA 0.522 56.101 56.287 -1.180 0.000 0.966 496 K CB -0.147 31.428 32.500 -1.543 0.000 0.754 496 K HN 0.173 nan 8.250 nan 0.000 0.466 497 L N 2.459 123.511 121.223 -0.284 0.000 2.648 497 L HA 0.099 4.440 4.340 0.000 0.000 0.238 497 L C -0.120 176.695 176.870 -0.093 0.000 1.316 497 L CA -0.510 54.230 54.840 -0.168 0.000 1.241 497 L CB -0.292 41.632 42.059 -0.225 0.000 1.499 497 L HN 0.046 nan 8.230 nan 0.000 0.411 498 S N -3.398 112.189 115.700 -0.188 0.000 2.579 498 S HA 0.338 4.808 4.470 0.000 0.000 0.272 498 S C 0.147 174.648 174.600 -0.165 0.000 1.141 498 S CA -0.895 57.312 58.200 0.013 0.000 0.843 498 S CB 2.012 65.375 63.200 0.270 0.000 1.122 498 S HN 0.157 nan 8.310 nan 0.000 0.468 499 D N 1.383 121.841 120.400 0.096 0.000 2.149 499 D HA -0.073 4.567 4.640 0.000 0.000 0.198 499 D C 0.860 177.211 176.300 0.085 0.000 0.990 499 D CA 1.894 55.978 54.000 0.141 0.000 0.839 499 D CB -0.376 40.580 40.800 0.260 0.000 0.948 499 D HN 0.772 nan 8.370 nan 0.000 0.460 500 D N -1.492 119.006 120.400 0.163 0.000 2.323 500 D HA -0.081 4.559 4.640 0.000 0.000 0.209 500 D C 1.443 177.885 176.300 0.237 0.000 0.973 500 D CA 0.358 54.435 54.000 0.128 0.000 0.874 500 D CB 0.008 40.874 40.800 0.110 0.000 0.930 500 D HN 0.250 nan 8.370 nan 0.000 0.521 501 Y N 1.276 121.701 120.300 0.209 0.000 2.389 501 Y HA 0.109 4.659 4.550 0.000 0.000 0.292 501 Y C 0.760 176.612 175.900 -0.080 0.000 1.117 501 Y CA -0.081 58.121 58.100 0.171 0.000 1.195 501 Y CB 0.159 38.657 38.460 0.065 0.000 1.076 501 Y HN -0.154 nan 8.280 nan 0.000 0.548 502 V N 2.553 122.338 119.914 -0.215 0.000 2.740 502 V HA 0.213 4.334 4.120 0.000 0.000 0.303 502 V C 0.214 176.128 176.094 -0.300 0.000 1.054 502 V CA -0.901 61.214 62.300 -0.309 0.000 1.106 502 V CB 0.510 32.115 31.823 -0.364 0.000 0.957 502 V HN 0.407 nan 8.190 nan 0.000 0.486 503 R N 3.288 123.626 120.500 -0.269 0.000 2.546 503 R HA 0.836 5.176 4.340 0.000 0.000 0.266 503 R C 0.382 176.609 176.300 -0.122 0.000 1.086 503 R CA 0.096 56.070 56.100 -0.210 0.000 1.160 503 R CB 0.720 30.908 30.300 -0.187 0.000 1.138 503 R HN 2.077 nan 8.270 nan 0.000 0.567 504 G N -0.738 108.013 108.800 -0.081 0.000 2.592 504 G HA2 -0.087 3.873 3.960 0.000 0.000 0.684 504 G HA3 -0.087 3.873 3.960 0.000 0.000 0.684 504 G C 0.437 175.364 174.900 0.045 0.000 1.291 504 G CA -0.383 44.712 45.100 -0.008 0.000 0.891 504 G HN 0.823 nan 8.290 nan 0.000 0.544 505 G N -0.390 108.471 108.800 0.101 0.000 2.448 505 G HA2 0.476 4.436 3.960 0.000 0.000 0.218 505 G HA3 0.476 4.436 3.960 0.000 0.000 0.218 505 G C 0.991 175.984 174.900 0.156 0.000 1.135 505 G CA 1.375 46.590 45.100 0.192 0.000 0.784 505 G HN 1.785 nan 8.290 nan 0.000 0.543 506 G N -0.115 108.670 108.800 -0.026 0.000 2.437 506 G HA2 0.510 4.470 3.960 0.000 0.000 0.315 506 G HA3 0.510 4.470 3.960 0.000 0.000 0.315 506 G C -0.550 174.005 174.900 -0.574 0.000 1.210 506 G CA -0.878 43.941 45.100 -0.468 0.000 0.943 506 G HN 0.432 nan 8.290 nan 0.000 0.471 507 F N 0.554 119.624 119.950 -1.467 0.000 2.541 507 F HA 0.475 5.002 4.527 0.000 0.000 0.368 507 F C -0.862 174.620 175.800 -0.531 0.000 1.530 507 F CA -1.380 56.199 58.000 -0.701 0.000 1.102 507 F CB 0.386 39.112 39.000 -0.457 0.000 1.382 507 F HN 0.203 nan 8.300 nan 0.000 0.541 508 F N 0.475 120.161 119.950 -0.439 0.000 2.724 508 F HA 0.258 4.785 4.527 0.000 0.000 0.310 508 F C 1.534 176.819 175.800 -0.858 0.000 1.107 508 F CA -0.323 57.163 58.000 -0.856 0.000 1.218 508 F CB -0.147 37.943 39.000 -1.518 0.000 1.042 508 F HN 0.295 nan 8.300 nan 0.000 0.540 509 T N -2.387 111.853 114.554 -0.523 0.000 2.818 509 T HA 0.812 5.162 4.350 0.000 0.000 0.177 509 T C 0.790 175.053 174.700 -0.728 0.000 0.760 509 T CA 0.148 61.609 62.100 -1.065 0.000 1.490 509 T CB 0.510 68.732 68.868 -1.076 0.000 2.555 509 T HN 0.200 nan 8.240 nan 0.000 0.410 510 G N -0.015 108.339 108.800 -0.743 0.000 2.339 510 G HA2 0.549 4.510 3.960 0.000 0.000 0.302 510 G HA3 0.549 4.510 3.960 0.000 0.000 0.302 510 G C -1.164 173.588 174.900 -0.246 0.000 1.425 510 G CA -0.511 44.454 45.100 -0.224 0.000 0.899 510 G HN 0.906 nan 8.290 nan 0.000 0.619 511 A N -0.383 122.310 122.820 -0.212 0.000 2.425 511 A HA 0.779 5.099 4.320 0.000 0.000 0.249 511 A C -0.817 176.555 177.584 -0.353 0.000 1.084 511 A CA 0.232 51.988 52.037 -0.467 0.000 0.781 511 A CB 0.084 18.210 19.000 -1.456 0.000 1.019 511 A HN 0.917 nan 8.150 nan 0.000 0.490 512 F N 0.404 120.241 119.950 -0.188 0.000 2.579 512 F HA 0.601 5.129 4.527 0.000 0.000 0.324 512 F C 0.118 176.207 175.800 0.481 0.000 1.058 512 F CA -0.700 57.359 58.000 0.098 0.000 0.944 512 F CB 2.290 41.250 39.000 -0.067 0.000 1.245 512 F HN 0.406 nan 8.300 nan 0.000 0.477 513 V N 1.531 121.855 119.914 0.684 0.000 2.588 513 V HA 0.959 5.079 4.120 0.000 0.000 0.304 513 V C -0.543 175.912 176.094 0.601 0.000 1.042 513 V CA 0.078 62.797 62.300 0.698 0.000 0.877 513 V CB 1.165 33.388 31.823 0.666 0.000 0.996 513 V HN 0.904 nan 8.190 nan 0.000 0.425 514 G N 5.477 114.639 108.800 0.604 0.000 2.749 514 G HA2 0.740 4.700 3.960 0.000 0.000 0.300 514 G HA3 0.740 4.700 3.960 0.000 0.000 0.300 514 G C -1.355 173.791 174.900 0.410 0.000 1.352 514 G CA -0.297 45.067 45.100 0.440 0.000 0.789 514 G HN 1.337 nan 8.290 nan 0.000 0.509 515 I N -1.420 119.242 120.570 0.153 0.000 2.769 515 I HA 0.765 4.935 4.170 0.000 0.000 0.298 515 I C -1.385 174.610 176.117 -0.203 0.000 1.128 515 I CA -1.149 60.100 61.300 -0.084 0.000 1.031 515 I CB 2.678 40.370 38.000 -0.513 0.000 1.235 515 I HN 0.663 nan 8.210 nan 0.000 0.423 516 N N 3.598 122.181 118.700 -0.196 0.000 2.732 516 N HA 0.828 5.568 4.740 0.000 0.000 0.259 516 N C -1.853 173.608 175.510 -0.081 0.000 1.402 516 N CA -0.695 52.225 53.050 -0.216 0.000 0.829 516 N CB 2.264 40.433 38.487 -0.530 0.000 1.495 516 N HN 1.019 nan 8.380 nan 0.000 0.511 517 A N 0.437 123.184 122.820 -0.122 0.000 2.427 517 A HA 0.728 5.048 4.320 0.000 0.000 0.298 517 A C -1.248 176.268 177.584 -0.114 0.000 1.036 517 A CA -0.656 51.286 52.037 -0.158 0.000 0.701 517 A CB 0.736 19.669 19.000 -0.111 0.000 1.250 517 A HN 0.611 nan 8.150 nan 0.000 0.412 518 I N 1.832 122.342 120.570 -0.099 0.000 2.465 518 I HA 0.450 4.620 4.170 0.000 0.000 0.291 518 I C -1.173 174.967 176.117 0.039 0.000 1.014 518 I CA -0.389 60.880 61.300 -0.052 0.000 1.093 518 I CB 2.331 40.271 38.000 -0.100 0.000 1.267 518 I HN 0.643 nan 8.210 nan 0.000 0.431 519 D N 6.757 127.174 120.400 0.029 0.000 2.336 519 D HA 0.252 4.892 4.640 0.000 0.000 0.248 519 D C 0.520 176.814 176.300 -0.009 0.000 1.326 519 D CA -0.364 53.653 54.000 0.030 0.000 0.973 519 D CB 1.170 42.000 40.800 0.049 0.000 1.255 519 D HN 0.226 nan 8.370 nan 0.000 0.558 520 I N 1.907 122.466 120.570 -0.018 0.000 2.493 520 I HA -0.146 4.024 4.170 0.000 0.000 0.254 520 I C 2.026 178.119 176.117 -0.039 0.000 1.160 520 I CA 0.858 62.145 61.300 -0.021 0.000 1.445 520 I CB -1.188 36.808 38.000 -0.006 0.000 1.086 520 I HN 0.360 nan 8.210 nan 0.000 0.433 521 T N 0.662 115.177 114.554 -0.065 0.000 2.720 521 T HA -0.063 4.287 4.350 0.000 0.000 0.268 521 T C 1.658 176.319 174.700 -0.066 0.000 1.037 521 T CA 1.774 63.823 62.100 -0.085 0.000 1.144 521 T CB -0.393 68.398 68.868 -0.129 0.000 0.864 521 T HN 0.601 nan 8.240 nan 0.000 0.444 522 G N 0.418 109.184 108.800 -0.055 0.000 2.175 522 G HA2 -0.233 3.727 3.960 0.000 0.000 0.182 522 G HA3 -0.233 3.727 3.960 0.000 0.000 0.182 522 G C 0.860 175.728 174.900 -0.055 0.000 1.003 522 G CA 0.544 45.616 45.100 -0.047 0.000 0.666 522 G HN 0.625 nan 8.290 nan 0.000 0.506 523 T N -1.187 113.330 114.554 -0.063 0.000 3.129 523 T HA 0.507 4.857 4.350 0.000 0.000 0.251 523 T C 1.702 176.373 174.700 -0.047 0.000 1.117 523 T CA 1.461 63.520 62.100 -0.068 0.000 1.034 523 T CB 0.248 69.061 68.868 -0.091 0.000 0.968 523 T HN 2.195 nan 8.240 nan 0.000 0.526 524 A N 0.823 123.627 122.820 -0.027 0.000 2.745 524 A HA -0.132 4.188 4.320 0.000 0.000 0.296 524 A C 0.404 178.054 177.584 0.110 0.000 1.500 524 A CA 0.258 52.304 52.037 0.015 0.000 0.766 524 A CB -2.614 16.334 19.000 -0.086 0.000 1.030 524 A HN 0.681 nan 8.150 nan 0.000 0.489 525 L N 0.835 122.114 121.223 0.092 0.000 2.540 525 L HA 0.204 4.544 4.340 0.000 0.000 0.276 525 L C -1.419 175.601 176.870 0.249 0.000 1.212 525 L CA -1.032 53.867 54.840 0.098 0.000 0.893 525 L CB 0.460 42.497 42.059 -0.036 0.000 1.138 525 L HN 0.328 nan 8.230 nan 0.000 0.491 526 P HA 0.239 nan 4.420 nan 0.000 0.285 526 P C -1.336 176.085 177.300 0.202 0.000 1.259 526 P CA -0.523 62.653 63.100 0.127 0.000 0.794 526 P CB 1.584 33.318 31.700 0.057 0.000 0.940 527 A N 2.821 125.669 122.820 0.047 0.000 2.291 527 A HA 0.477 4.797 4.320 0.000 0.000 0.311 527 A C -0.731 176.703 177.584 -0.249 0.000 1.224 527 A CA -0.508 51.451 52.037 -0.129 0.000 0.821 527 A CB 0.327 19.073 19.000 -0.422 0.000 1.172 527 A HN 0.357 nan 8.150 nan 0.000 0.494 528 D N 2.064 122.298 120.400 -0.276 0.000 2.329 528 D HA 0.485 5.125 4.640 0.000 0.000 0.232 528 D C -1.087 175.173 176.300 -0.067 0.000 1.088 528 D CA 0.495 54.420 54.000 -0.125 0.000 0.835 528 D CB 0.697 41.358 40.800 -0.230 0.000 1.078 528 D HN 0.322 nan 8.370 nan 0.000 0.495 529 F N 1.252 121.305 119.950 0.170 0.000 2.411 529 F HA 0.155 4.683 4.527 0.000 0.000 0.352 529 F C 1.569 177.516 175.800 0.246 0.000 1.123 529 F CA -0.804 57.286 58.000 0.149 0.000 1.044 529 F CB 1.563 40.589 39.000 0.044 0.000 1.135 529 F HN 0.151 nan 8.300 nan 0.000 0.461 530 D N 2.227 122.792 120.400 0.274 0.000 2.194 530 D HA -0.065 4.575 4.640 0.000 0.000 0.204 530 D C -0.432 176.064 176.300 0.326 0.000 0.964 530 D CA 1.437 55.415 54.000 -0.037 0.000 0.846 530 D CB 0.244 41.033 40.800 -0.017 0.000 0.962 530 D HN 0.449 nan 8.370 nan 0.000 0.490 531 Y N -3.165 117.367 120.300 0.386 0.000 2.656 531 Y HA 0.518 5.068 4.550 0.000 0.000 0.334 531 Y C -1.922 174.181 175.900 0.337 0.000 1.179 531 Y CA -1.903 56.315 58.100 0.196 0.000 1.050 531 Y CB 0.638 39.157 38.460 0.098 0.000 1.308 531 Y HN -0.207 nan 8.280 nan 0.000 0.456 532 F N 2.391 122.421 119.950 0.135 0.000 2.579 532 F HA 0.625 5.152 4.527 0.000 0.000 0.325 532 F C -0.798 175.185 175.800 0.304 0.000 1.162 532 F CA -0.441 57.713 58.000 0.257 0.000 0.946 532 F CB 1.652 40.842 39.000 0.317 0.000 1.211 532 F HN 0.806 nan 8.300 nan 0.000 0.447 533 T N 2.487 117.021 114.554 -0.033 0.000 2.902 533 T HA 0.498 4.849 4.350 0.000 0.000 0.283 533 T C -1.424 173.257 174.700 -0.032 0.000 1.009 533 T CA -0.620 61.512 62.100 0.053 0.000 1.051 533 T CB 1.839 70.758 68.868 0.085 0.000 0.999 533 T HN 0.593 nan 8.240 nan 0.000 0.474 534 Y N 1.215 121.528 120.300 0.022 0.000 2.298 534 Y HA 0.499 5.049 4.550 0.000 0.000 0.322 534 Y C -0.954 174.994 175.900 0.080 0.000 1.138 534 Y CA -0.957 57.148 58.100 0.008 0.000 1.127 534 Y CB 1.406 39.851 38.460 -0.025 0.000 1.178 534 Y HN 0.881 nan 8.280 nan 0.000 0.428 535 K N 5.908 126.089 120.400 -0.366 0.000 2.559 535 K HA 0.358 4.678 4.320 0.000 0.000 0.249 535 K C -1.079 175.319 176.600 -0.336 0.000 0.958 535 K CA -0.430 55.707 56.287 -0.250 0.000 0.901 535 K CB 1.005 33.435 32.500 -0.115 0.000 1.124 535 K HN 0.788 nan 8.250 nan 0.000 0.437 536 E N 3.928 123.926 120.200 -0.337 0.000 2.354 536 E HA 0.199 4.549 4.350 0.000 0.000 0.269 536 E C -0.245 176.313 176.600 -0.069 0.000 1.036 536 E CA -0.215 56.073 56.400 -0.187 0.000 0.876 536 E CB 1.126 30.763 29.700 -0.106 0.000 1.009 536 E HN 0.426 nan 8.360 nan 0.000 0.416 537 L N 0.000 121.208 121.223 -0.025 0.000 2.949 537 L HA 0.000 4.340 4.340 0.000 0.000 0.249 537 L CA 0.000 54.830 54.840 -0.016 0.000 0.813 537 L CB 0.000 42.040 42.059 -0.031 0.000 0.961 537 L HN 0.000 nan 8.230 nan 0.000 0.502