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 3lpp_1_C DATA FIRST_RESID 28 DATA SEQUENCE RKcPNVLNDP VNVRINcIPE QFPTEGIcAQ RGccWRPWND SLIPWcFFVD DATA SEQUENCE NHGYNVQDMT TTSIGVEAKL NRIPSPTLFG NDINSVLFTT QNQTPNRFRF DATA SEQUENCE KITDPNNRRY EVPHQYVKEF TGPTVSDTLY DVKVAQNPFS IQVIRKSNGK DATA SEQUENCE TLFDTSIGPL VYSDQYLQIS ARLPSDYIYG IGEQVHKRFR HDLSWKTWPI DATA SEQUENCE FTRDQLPGDN NNNLYGHQTF FMCIEDTSGK SFGVFLMNSN AMEIFIQPTP DATA SEQUENCE IVTYRVTGGI LDFYILLGDT PEQVVQQYQQ LVGLPAMPAY WNLGFQLSRW DATA SEQUENCE NYKSLDVVKE VVRRNREAGI PFDTQVTDID YMEDKKDFTY DQVAFNGLPQ DATA SEQUENCE FVQDLHDHGQ KYVIILDPAI SIGRRANGTT YATYERGNTQ HVWINESDGS DATA SEQUENCE TPIIGEVWPG LTVYPDFTNP NCIDWWANEC SIFHQEVQYD GLWIDMNEVS DATA SEQUENCE SFIQGSTKGC NVNKLNYPPF TPDILDKLMY SKTICMDAVQ NWGKQYDVHS DATA SEQUENCE LYGYSMAIAT EQAVQKVFPN KRSFILTRST FAGSGRHAAH WLGDNTASWE DATA SEQUENCE QMEWSITGML EFSLFGIPLV GADIcGFVAE TTEELcRRWM QLGAFYPFSR DATA SEQUENCE NHNSDGYEHQ DPAFFGQNSL LVKSSRQYLT IRYTLLPFLY TLFYKAHVFG DATA SEQUENCE ETVARPVLHE FYEDTNSWIE DTEFLWGPAL LITPVLKQGA DTVSAYIPDA DATA SEQUENCE IWYDYESGAK RPWRKQRVDM YLPADKIGLH LRGGYIIPIQ EPDVTTTASR DATA SEQUENCE KNPLGLIVAL GENNTAKGDF FWDDGETKDT IQNGNYILYT FSVSNNTLDI DATA SEQUENCE VCTHSSYQEG TTLAFQTVKI LGLTDSVTEV RVAENNQPMN AHSNFTYDAS DATA SEQUENCE NQVLLIADLK LNLGRNFSVQ W 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 28 R HA 0.000 nan 4.340 nan 0.000 0.208 28 R C 0.000 176.300 176.300 -0.000 0.000 0.893 28 R CA 0.000 56.101 56.100 0.002 0.000 0.921 28 R CB 0.000 30.304 30.300 0.006 0.000 0.687 29 K N 0.223 120.617 120.400 -0.009 0.000 2.352 29 K HA 0.252 4.572 4.320 -0.001 0.000 0.194 29 K C 0.303 176.875 176.600 -0.046 0.000 1.038 29 K CA 0.734 57.008 56.287 -0.022 0.000 1.023 29 K CB 0.696 33.175 32.500 -0.036 0.000 0.840 29 K HN 0.652 nan 8.250 nan 0.000 0.519 30 c N 1.818 120.398 118.600 -0.033 0.000 2.351 30 c HA 0.413 4.983 4.570 -0.001 0.000 0.359 30 c C -2.188 171.923 174.090 0.035 0.000 1.193 30 c CA -1.845 54.466 56.329 -0.030 0.000 2.270 30 c CB 0.802 43.303 42.510 -0.015 0.000 2.369 30 c HN 0.215 nan 8.230 nan 0.000 0.553 31 P HA 0.093 nan 4.420 nan 0.000 0.267 31 P C 0.501 177.837 177.300 0.061 0.000 1.200 31 P CA 0.264 63.417 63.100 0.088 0.000 0.772 31 P CB 0.491 32.263 31.700 0.120 0.000 0.855 32 N N 0.296 119.023 118.700 0.045 0.000 2.149 32 N HA -0.066 4.674 4.740 -0.001 0.000 0.188 32 N C 0.240 175.772 175.510 0.038 0.000 1.019 32 N CA 0.890 53.962 53.050 0.035 0.000 0.857 32 N CB -0.293 38.211 38.487 0.027 0.000 0.997 32 N HN 0.205 nan 8.380 nan 0.000 0.426 33 V N 2.985 122.924 119.914 0.041 0.000 2.470 33 V HA -0.024 4.095 4.120 -0.001 0.000 0.276 33 V C 1.591 177.717 176.094 0.054 0.000 1.040 33 V CA -0.197 62.127 62.300 0.040 0.000 1.008 33 V CB 1.274 33.115 31.823 0.032 0.000 0.990 33 V HN 0.106 nan 8.190 nan 0.000 0.477 34 L N 5.560 126.818 121.223 0.058 0.000 2.079 34 L HA -0.106 4.234 4.340 -0.001 0.000 0.210 34 L C 1.763 178.700 176.870 0.112 0.000 1.081 34 L CA 1.773 56.661 54.840 0.081 0.000 0.752 34 L CB -0.389 41.710 42.059 0.067 0.000 0.896 34 L HN 0.900 nan 8.230 nan 0.000 0.433 35 N N 0.546 119.301 118.700 0.092 0.000 2.994 35 N HA 0.009 4.748 4.740 -0.001 0.000 0.306 35 N C -0.802 174.728 175.510 0.033 0.000 1.348 35 N CA -0.172 52.942 53.050 0.107 0.000 1.109 35 N CB -0.788 37.757 38.487 0.098 0.000 1.415 35 N HN 0.505 nan 8.380 nan 0.000 0.529 36 D N 0.395 120.785 120.400 -0.016 0.000 2.419 36 D HA 0.048 4.687 4.640 -0.001 0.000 0.236 36 D C -2.254 173.959 176.300 -0.145 0.000 1.165 36 D CA -0.907 53.050 54.000 -0.071 0.000 0.882 36 D CB 0.381 41.136 40.800 -0.075 0.000 1.201 36 D HN 0.136 nan 8.370 nan 0.000 0.443 37 P HA 0.000 nan 4.420 nan 0.000 0.269 37 P C 1.260 178.428 177.300 -0.219 0.000 1.252 37 P CA -0.433 62.593 63.100 -0.125 0.000 0.780 37 P CB 1.008 32.662 31.700 -0.076 0.000 0.829 38 V N 1.374 121.124 119.914 -0.272 0.000 2.490 38 V HA -0.263 3.857 4.120 -0.001 0.000 0.250 38 V C 1.332 177.350 176.094 -0.127 0.000 1.061 38 V CA 1.664 63.730 62.300 -0.389 0.000 1.064 38 V CB -1.465 30.043 31.823 -0.524 0.000 0.670 38 V HN 0.357 nan 8.190 nan 0.000 0.461 39 N N -0.051 118.646 118.700 -0.006 0.000 2.571 39 N HA 0.069 4.808 4.740 -0.001 0.000 0.189 39 N C 1.194 176.694 175.510 -0.016 0.000 1.154 39 N CA 0.693 53.791 53.050 0.081 0.000 0.907 39 N CB 0.392 38.874 38.487 -0.007 0.000 0.977 39 N HN 0.422 nan 8.380 nan 0.000 0.449 40 V N 0.614 120.497 119.914 -0.052 0.000 3.578 40 V HA 0.114 4.234 4.120 -0.001 0.000 0.290 40 V C 0.521 176.588 176.094 -0.045 0.000 1.376 40 V CA 0.030 62.295 62.300 -0.057 0.000 1.083 40 V CB -0.061 31.723 31.823 -0.066 0.000 0.911 40 V HN 0.176 nan 8.190 nan 0.000 0.433 41 R N 1.307 121.738 120.500 -0.115 0.000 2.449 41 R HA 0.228 4.568 4.340 -0.001 0.000 0.296 41 R C -0.712 175.645 176.300 0.095 0.000 1.047 41 R CA 0.098 56.075 56.100 -0.204 0.000 1.018 41 R CB 0.452 30.377 30.300 -0.626 0.000 0.962 41 R HN 0.153 nan 8.270 nan 0.000 0.428 42 I N 3.124 123.828 120.570 0.225 0.000 2.321 42 I HA 0.069 4.238 4.170 -0.001 0.000 0.291 42 I C 0.368 176.677 176.117 0.319 0.000 0.998 42 I CA -1.022 60.463 61.300 0.309 0.000 1.227 42 I CB 0.934 39.153 38.000 0.365 0.000 1.368 42 I HN 0.473 nan 8.210 nan 0.000 0.466 43 N N 4.661 123.473 118.700 0.187 0.000 2.438 43 N HA -0.060 4.679 4.740 -0.001 0.000 0.267 43 N C 0.791 176.220 175.510 -0.136 0.000 1.222 43 N CA 0.227 53.288 53.050 0.019 0.000 0.930 43 N CB 0.625 39.064 38.487 -0.080 0.000 1.083 43 N HN 0.764 nan 8.380 nan 0.000 0.476 44 c N 4.426 122.763 118.600 -0.438 0.000 2.618 44 c HA 0.351 4.921 4.570 -0.001 0.000 0.264 44 c C 0.813 174.645 174.090 -0.429 0.000 1.334 44 c CA -0.167 55.606 56.329 -0.926 0.000 1.731 44 c CB -1.067 40.755 42.510 -1.147 0.000 1.852 44 c HN 0.700 nan 8.230 nan 0.000 0.566 45 I N 2.138 122.573 120.570 -0.224 0.000 2.925 45 I HA 0.239 4.408 4.170 -0.001 0.000 0.296 45 I C -1.651 174.425 176.117 -0.069 0.000 1.413 45 I CA -1.043 60.179 61.300 -0.130 0.000 0.932 45 I CB 0.980 38.913 38.000 -0.112 0.000 1.873 45 I HN 0.081 nan 8.210 nan 0.000 0.619 46 P HA -0.134 nan 4.420 nan 0.000 0.225 46 P C 0.966 178.318 177.300 0.087 0.000 1.156 46 P CA 1.298 64.398 63.100 0.001 0.000 0.787 46 P CB 0.322 32.057 31.700 0.058 0.000 0.802 47 E N 0.962 121.272 120.200 0.185 0.000 2.474 47 E HA 0.002 4.351 4.350 -0.001 0.000 0.195 47 E C 0.632 177.300 176.600 0.113 0.000 1.039 47 E CA 0.187 56.716 56.400 0.215 0.000 0.881 47 E CB 0.026 29.954 29.700 0.380 0.000 0.970 47 E HN 0.470 nan 8.360 nan 0.000 0.486 48 Q N -0.933 118.913 119.800 0.076 0.000 2.630 48 Q HA 0.337 4.676 4.340 -0.001 0.000 0.295 48 Q C -1.346 174.688 176.000 0.056 0.000 0.944 48 Q CA -1.028 54.819 55.803 0.074 0.000 0.766 48 Q CB 0.458 29.244 28.738 0.081 0.000 1.471 48 Q HN -0.065 nan 8.270 nan 0.000 0.416 49 F N 3.768 123.692 119.950 -0.042 0.000 2.571 49 F HA 0.257 4.783 4.527 -0.001 0.000 0.384 49 F C -1.932 173.854 175.800 -0.024 0.000 1.058 49 F CA -1.371 56.586 58.000 -0.071 0.000 1.200 49 F CB 0.663 39.629 39.000 -0.056 0.000 1.077 49 F HN 0.377 nan 8.300 nan 0.000 0.558 50 P HA 0.105 nan 4.420 nan 0.000 0.271 50 P C -0.686 176.559 177.300 -0.091 0.000 1.216 50 P CA -0.152 62.775 63.100 -0.287 0.000 0.776 50 P CB 1.350 32.934 31.700 -0.192 0.000 0.881 51 T N -0.462 114.061 114.554 -0.052 0.000 2.900 51 T HA 0.142 4.492 4.350 -0.001 0.000 0.303 51 T C 0.924 175.110 174.700 -0.858 0.000 1.142 51 T CA -0.545 61.403 62.100 -0.252 0.000 1.007 51 T CB 1.573 70.375 68.868 -0.111 0.000 1.156 51 T HN 0.466 nan 8.240 nan 0.000 0.490 52 E N 2.054 121.443 120.200 -1.352 0.000 2.077 52 E HA -0.065 4.284 4.350 -0.001 0.000 0.193 52 E C 1.890 178.068 176.600 -0.704 0.000 0.989 52 E CA 1.703 57.159 56.400 -1.573 0.000 0.800 52 E CB -0.618 28.295 29.700 -1.311 0.000 0.746 52 E HN 0.853 nan 8.360 nan 0.000 0.452 53 G N 1.473 110.009 108.800 -0.440 0.000 2.446 53 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.217 53 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.217 53 G C 1.525 176.295 174.900 -0.217 0.000 1.168 53 G CA 0.754 45.698 45.100 -0.260 0.000 0.771 53 G HN 0.205 nan 8.290 nan 0.000 0.551 54 I N 0.516 120.957 120.570 -0.215 0.000 2.315 54 I HA -0.091 4.079 4.170 -0.001 0.000 0.248 54 I C 2.929 178.940 176.117 -0.177 0.000 1.117 54 I CA 0.410 61.609 61.300 -0.168 0.000 1.404 54 I CB -1.246 36.673 38.000 -0.135 0.000 1.071 54 I HN 0.246 nan 8.210 nan 0.000 0.419 55 c N 1.141 119.613 118.600 -0.213 0.000 2.413 55 c HA -0.153 4.417 4.570 -0.001 0.000 0.277 55 c C 3.220 177.229 174.090 -0.135 0.000 1.228 55 c CA 1.254 57.494 56.329 -0.149 0.000 1.731 55 c CB -1.085 41.393 42.510 -0.054 0.000 2.042 55 c HN 0.582 nan 8.230 nan 0.000 0.468 56 A N -0.664 122.055 122.820 -0.169 0.000 1.892 56 A HA -0.309 4.010 4.320 -0.001 0.000 0.218 56 A C 2.161 179.690 177.584 -0.091 0.000 1.188 56 A CA 2.184 54.147 52.037 -0.123 0.000 0.631 56 A CB -1.055 17.859 19.000 -0.144 0.000 0.822 56 A HN 0.820 nan 8.150 nan 0.000 0.447 57 Q N -0.573 119.165 119.800 -0.104 0.000 2.096 57 Q HA -0.187 4.153 4.340 -0.001 0.000 0.204 57 Q C 2.024 177.988 176.000 -0.059 0.000 0.982 57 Q CA 1.731 57.485 55.803 -0.081 0.000 0.850 57 Q CB -0.083 28.600 28.738 -0.092 0.000 0.901 57 Q HN 0.678 nan 8.270 nan 0.000 0.422 58 R N -1.075 119.383 120.500 -0.070 0.000 2.313 58 R HA 0.077 4.417 4.340 -0.001 0.000 0.199 58 R C 0.934 177.294 176.300 0.100 0.000 0.958 58 R CA 0.499 56.588 56.100 -0.018 0.000 1.047 58 R CB 0.251 30.475 30.300 -0.126 0.000 0.955 58 R HN 0.451 nan 8.270 nan 0.000 0.481 59 G N 0.851 109.669 108.800 0.030 0.000 2.198 59 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.257 59 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.257 59 G C 0.177 175.116 174.900 0.065 0.000 1.042 59 G CA 0.102 45.230 45.100 0.048 0.000 0.791 59 G HN 0.349 nan 8.290 nan 0.000 0.502 60 c N -1.258 117.329 118.600 -0.022 0.000 2.484 60 c HA 0.795 5.364 4.570 -0.001 0.000 0.409 60 c C 1.405 175.402 174.090 -0.154 0.000 1.434 60 c CA -0.221 56.041 56.329 -0.111 0.000 1.913 60 c CB 1.506 43.852 42.510 -0.273 0.000 2.028 60 c HN 0.887 nan 8.230 nan 0.000 0.516 61 c N 2.358 120.756 118.600 -0.338 0.000 2.307 61 c HA 0.524 5.094 4.570 -0.001 0.000 0.340 61 c C -0.296 173.601 174.090 -0.321 0.000 1.275 61 c CA -0.522 55.557 56.329 -0.417 0.000 1.811 61 c CB -0.905 41.132 42.510 -0.788 0.000 2.372 61 c HN 0.884 nan 8.230 nan 0.000 0.531 62 W N 7.992 129.135 121.300 -0.262 0.000 2.314 62 W HA 0.508 5.168 4.660 -0.001 0.000 0.310 62 W C -0.165 176.336 176.519 -0.029 0.000 1.075 62 W CA -0.600 56.674 57.345 -0.118 0.000 1.253 62 W CB 0.540 29.955 29.460 -0.075 0.000 1.238 62 W HN 0.793 nan 8.180 nan 0.000 0.440 63 R N 6.968 127.210 120.500 -0.429 0.000 2.837 63 R HA 0.230 4.569 4.340 -0.001 0.000 0.245 63 R C -2.649 173.449 176.300 -0.337 0.000 1.712 63 R CA -1.413 54.536 56.100 -0.252 0.000 1.539 63 R CB 1.025 31.404 30.300 0.132 0.000 1.490 63 R HN 0.147 nan 8.270 nan 0.000 0.667 64 P HA -0.079 nan 4.420 nan 0.000 0.264 64 P C -0.668 176.252 177.300 -0.634 0.000 1.183 64 P CA 0.226 62.629 63.100 -1.162 0.000 0.763 64 P CB 0.540 31.443 31.700 -1.328 0.000 0.807 65 W N 2.560 123.211 121.300 -1.082 0.000 2.767 65 W HA 0.127 4.786 4.660 -0.001 0.000 0.375 65 W C 0.899 177.238 176.519 -0.300 0.000 1.461 65 W CA -0.578 56.515 57.345 -0.420 0.000 1.415 65 W CB 1.470 30.870 29.460 -0.101 0.000 1.581 65 W HN 0.315 nan 8.180 nan 0.000 0.672 66 N N 0.521 119.035 118.700 -0.310 0.000 2.276 66 N HA 0.009 4.748 4.740 -0.001 0.000 0.212 66 N C -0.887 174.646 175.510 0.038 0.000 1.127 66 N CA 0.093 53.020 53.050 -0.205 0.000 0.834 66 N CB -0.227 38.045 38.487 -0.358 0.000 1.014 66 N HN 0.296 nan 8.380 nan 0.000 0.491 67 D N -2.166 118.369 120.400 0.224 0.000 2.664 67 D HA 0.215 4.854 4.640 -0.001 0.000 0.292 67 D C 0.192 176.656 176.300 0.272 0.000 1.214 67 D CA -0.541 53.587 54.000 0.213 0.000 0.932 67 D CB 0.405 41.270 40.800 0.109 0.000 1.420 67 D HN -0.095 nan 8.370 nan 0.000 0.471 68 S N -1.019 114.733 115.700 0.086 0.000 2.562 68 S HA 0.088 4.558 4.470 -0.001 0.000 0.221 68 S C 1.633 176.096 174.600 -0.229 0.000 0.975 68 S CA 0.020 58.176 58.200 -0.072 0.000 0.918 68 S CB -0.459 62.723 63.200 -0.030 0.000 0.772 68 S HN 0.481 nan 8.310 nan 0.000 0.531 69 L N 0.575 121.628 121.223 -0.283 0.000 2.221 69 L HA 0.279 4.618 4.340 -0.001 0.000 0.202 69 L C 0.427 176.614 176.870 -1.138 0.000 1.074 69 L CA 0.194 54.658 54.840 -0.627 0.000 0.795 69 L CB -0.211 41.458 42.059 -0.650 0.000 0.960 69 L HN 0.272 nan 8.230 nan 0.000 0.458 70 I N 1.626 121.697 120.570 -0.833 0.000 2.533 70 I HA 0.109 4.279 4.170 -0.001 0.000 0.284 70 I C -2.067 173.794 176.117 -0.426 0.000 1.109 70 I CA -2.414 58.419 61.300 -0.779 0.000 1.412 70 I CB -0.285 37.499 38.000 -0.360 0.000 1.396 70 I HN -0.219 nan 8.210 nan 0.000 0.543 71 P HA -0.037 nan 4.420 nan 0.000 0.263 71 P C 0.061 177.407 177.300 0.076 0.000 1.195 71 P CA 0.096 63.095 63.100 -0.168 0.000 0.762 71 P CB 0.268 31.932 31.700 -0.060 0.000 0.799 72 W N 2.009 123.212 121.300 -0.163 0.000 2.576 72 W HA 0.127 4.786 4.660 -0.001 0.000 0.270 72 W C 0.642 177.076 176.519 -0.141 0.000 1.255 72 W CA -0.122 57.069 57.345 -0.257 0.000 1.314 72 W CB -0.702 28.462 29.460 -0.494 0.000 1.101 72 W HN 0.253 nan 8.180 nan 0.000 0.595 73 c N 2.404 121.152 118.600 0.248 0.000 2.322 73 c HA 0.681 5.251 4.570 -0.001 0.000 0.324 73 c C -0.480 173.656 174.090 0.077 0.000 1.249 73 c CA -1.008 55.428 56.329 0.178 0.000 1.453 73 c CB -1.493 41.153 42.510 0.226 0.000 2.145 73 c HN 0.101 nan 8.230 nan 0.000 0.466 74 F N 2.947 122.820 119.950 -0.128 0.000 2.626 74 F HA 0.686 5.213 4.527 -0.000 0.000 0.311 74 F C -0.126 175.578 175.800 -0.159 0.000 1.088 74 F CA -1.275 56.619 58.000 -0.176 0.000 0.949 74 F CB 0.494 39.457 39.000 -0.061 0.000 1.322 74 F HN 0.374 nan 8.300 nan 0.000 0.461 75 F N 0.866 120.897 119.950 0.133 0.000 2.186 75 F HA 0.016 4.542 4.527 -0.001 0.000 0.299 75 F C 1.754 177.595 175.800 0.068 0.000 1.090 75 F CA 1.514 59.541 58.000 0.045 0.000 1.307 75 F CB -0.422 38.615 39.000 0.061 0.000 1.019 75 F HN 0.435 nan 8.300 nan 0.000 0.489 76 V N 0.095 120.228 119.914 0.364 0.000 0.690 76 V HA -0.452 3.668 4.120 -0.001 0.000 0.092 76 V C 0.947 177.167 176.094 0.210 0.000 0.789 76 V CA 1.807 64.266 62.300 0.265 0.000 3.100 76 V CB -1.397 30.514 31.823 0.148 0.000 0.195 76 V HN 0.478 nan 8.190 nan 0.000 0.099 77 D N -0.107 120.383 120.400 0.150 0.000 2.501 77 D HA 0.128 4.768 4.640 -0.001 0.000 0.226 77 D C 0.855 177.229 176.300 0.123 0.000 1.198 77 D CA 0.266 54.336 54.000 0.115 0.000 0.830 77 D CB -0.339 40.503 40.800 0.070 0.000 1.014 77 D HN 0.594 nan 8.370 nan 0.000 0.496 78 N N 0.014 118.833 118.700 0.197 0.000 2.333 78 N HA -0.042 4.698 4.740 -0.001 0.000 0.178 78 N C -0.099 175.522 175.510 0.186 0.000 1.018 78 N CA 0.711 53.878 53.050 0.196 0.000 0.882 78 N CB 0.141 38.782 38.487 0.258 0.000 0.984 78 N HN 0.358 nan 8.380 nan 0.000 0.434 79 H N -1.242 117.898 119.070 0.116 0.000 2.651 79 H HA 0.706 5.261 4.556 -0.001 0.000 0.353 79 H C 0.853 176.172 175.328 -0.016 0.000 1.178 79 H CA 0.198 56.275 56.048 0.049 0.000 1.224 79 H CB 1.818 31.627 29.762 0.077 0.000 1.702 79 H HN 0.225 nan 8.280 nan 0.000 0.550 80 G N -0.561 108.276 108.800 0.062 0.000 2.302 80 G HA2 0.041 4.001 3.960 -0.001 0.000 0.276 80 G HA3 0.041 4.001 3.960 -0.001 0.000 0.276 80 G C -2.078 172.811 174.900 -0.020 0.000 1.316 80 G CA -0.931 44.238 45.100 0.115 0.000 0.988 80 G HN 0.412 nan 8.290 nan 0.000 0.479 81 Y N 0.355 120.695 120.300 0.067 0.000 2.545 81 Y HA 0.680 5.230 4.550 -0.001 0.000 0.348 81 Y C 0.210 176.144 175.900 0.057 0.000 1.002 81 Y CA -1.040 57.078 58.100 0.030 0.000 1.039 81 Y CB 2.352 40.786 38.460 -0.042 0.000 1.271 81 Y HN 0.531 nan 8.280 nan 0.000 0.467 82 N N 0.598 119.390 118.700 0.154 0.000 2.417 82 N HA 0.425 5.165 4.740 -0.001 0.000 0.300 82 N C -1.199 174.370 175.510 0.098 0.000 1.102 82 N CA -0.646 52.470 53.050 0.111 0.000 0.886 82 N CB 2.281 40.797 38.487 0.049 0.000 1.203 82 N HN 0.469 nan 8.380 nan 0.000 0.496 83 V N 0.709 120.678 119.914 0.090 0.000 2.455 83 V HA 0.153 4.273 4.120 -0.001 0.000 0.273 83 V C 1.186 177.303 176.094 0.039 0.000 1.045 83 V CA -0.004 62.329 62.300 0.055 0.000 0.976 83 V CB 1.276 33.145 31.823 0.077 0.000 0.993 83 V HN 0.709 nan 8.190 nan 0.000 0.475 84 Q N 3.175 122.991 119.800 0.028 0.000 2.089 84 Q HA 0.058 4.398 4.340 -0.001 0.000 0.195 84 Q C 0.196 176.210 176.000 0.023 0.000 0.963 84 Q CA 1.393 57.209 55.803 0.022 0.000 0.834 84 Q CB 0.418 29.166 28.738 0.017 0.000 0.906 84 Q HN 0.963 nan 8.270 nan 0.000 0.452 85 D N -0.836 119.580 120.400 0.027 0.000 2.661 85 D HA 0.370 5.010 4.640 -0.001 0.000 0.228 85 D C -1.718 174.611 176.300 0.049 0.000 1.183 85 D CA -0.546 53.473 54.000 0.032 0.000 0.844 85 D CB 1.797 42.612 40.800 0.025 0.000 1.555 85 D HN 0.094 nan 8.370 nan 0.000 0.453 86 M N 1.998 121.630 119.600 0.054 0.000 2.259 86 M HA 0.448 4.928 4.480 -0.001 0.000 0.304 86 M C -1.341 174.996 176.300 0.062 0.000 1.019 86 M CA -0.183 55.163 55.300 0.076 0.000 0.922 86 M CB 1.914 34.563 32.600 0.082 0.000 1.600 86 M HN 0.232 nan 8.290 nan 0.000 0.433 87 T N 2.990 117.584 114.554 0.066 0.000 2.841 87 T HA 0.652 5.002 4.350 -0.001 0.000 0.283 87 T C -0.755 173.977 174.700 0.054 0.000 1.000 87 T CA -0.413 61.716 62.100 0.049 0.000 0.977 87 T CB 1.102 69.990 68.868 0.033 0.000 0.979 87 T HN 0.721 nan 8.240 nan 0.000 0.446 88 T N 3.931 118.513 114.554 0.046 0.000 2.882 88 T HA 0.616 4.965 4.350 -0.001 0.000 0.287 88 T C 0.475 175.197 174.700 0.037 0.000 0.992 88 T CA -0.578 61.551 62.100 0.048 0.000 1.076 88 T CB 1.171 70.066 68.868 0.045 0.000 0.961 88 T HN 0.888 nan 8.240 nan 0.000 0.490 89 T N -1.823 112.755 114.554 0.041 0.000 2.883 89 T HA 0.433 4.783 4.350 -0.001 0.000 0.284 89 T C 1.635 176.358 174.700 0.039 0.000 1.041 89 T CA -0.245 61.873 62.100 0.031 0.000 1.007 89 T CB 1.120 70.002 68.868 0.023 0.000 1.220 89 T HN 0.412 nan 8.240 nan 0.000 0.552 90 S N 0.195 115.913 115.700 0.030 0.000 2.447 90 S HA -0.056 4.413 4.470 -0.001 0.000 0.233 90 S C 1.692 176.334 174.600 0.069 0.000 1.006 90 S CA 1.004 59.225 58.200 0.034 0.000 0.957 90 S CB -1.064 62.142 63.200 0.009 0.000 0.773 90 S HN 0.834 nan 8.310 nan 0.000 0.507 91 I N -3.187 117.439 120.570 0.093 0.000 4.154 91 I HA 0.679 4.848 4.170 -0.001 0.000 0.334 91 I C 0.914 177.137 176.117 0.177 0.000 1.371 91 I CA -0.226 61.184 61.300 0.185 0.000 1.110 91 I CB 0.541 38.711 38.000 0.283 0.000 1.085 91 I HN 0.376 nan 8.210 nan 0.000 0.398 92 G N 0.895 109.768 108.800 0.122 0.000 2.600 92 G HA2 0.381 4.341 3.960 -0.001 0.000 0.103 92 G HA3 0.381 4.341 3.960 -0.001 0.000 0.103 92 G C -1.433 173.525 174.900 0.095 0.000 1.090 92 G CA -0.030 45.146 45.100 0.126 0.000 1.090 92 G HN -0.060 nan 8.290 nan 0.000 0.500 93 V N 0.463 120.424 119.914 0.079 0.000 3.078 93 V HA 0.735 4.854 4.120 -0.001 0.000 0.311 93 V C -0.960 175.150 176.094 0.027 0.000 1.138 93 V CA -0.648 61.703 62.300 0.086 0.000 1.007 93 V CB 2.064 33.987 31.823 0.167 0.000 1.045 93 V HN 0.715 nan 8.190 nan 0.000 0.432 94 E N 1.260 121.495 120.200 0.059 0.000 2.248 94 E HA 0.777 5.127 4.350 -0.001 0.000 0.267 94 E C -1.019 175.660 176.600 0.131 0.000 0.877 94 E CA -0.637 55.791 56.400 0.046 0.000 0.759 94 E CB 2.347 32.051 29.700 0.007 0.000 1.182 94 E HN 0.870 nan 8.360 nan 0.000 0.418 95 A N 3.355 126.296 122.820 0.201 0.000 2.374 95 A HA 0.448 4.768 4.320 -0.001 0.000 0.305 95 A C -0.857 176.767 177.584 0.067 0.000 1.053 95 A CA -0.830 51.312 52.037 0.175 0.000 0.726 95 A CB 1.074 20.237 19.000 0.271 0.000 1.229 95 A HN 0.425 nan 8.150 nan 0.000 0.431 96 K N 2.540 122.953 120.400 0.022 0.000 2.276 96 K HA 0.503 4.823 4.320 -0.001 0.000 0.285 96 K C -1.062 175.516 176.600 -0.037 0.000 1.062 96 K CA -0.014 56.263 56.287 -0.017 0.000 0.918 96 K CB 0.927 33.426 32.500 -0.002 0.000 1.055 96 K HN 0.616 nan 8.250 nan 0.000 0.477 97 L N 2.899 124.072 121.223 -0.084 0.000 2.329 97 L HA 0.408 4.747 4.340 -0.001 0.000 0.279 97 L C -0.423 176.505 176.870 0.097 0.000 1.014 97 L CA -1.020 53.787 54.840 -0.055 0.000 0.814 97 L CB 1.562 43.453 42.059 -0.279 0.000 1.257 97 L HN 0.530 nan 8.230 nan 0.000 0.424 98 N N 1.045 119.835 118.700 0.150 0.000 2.314 98 N HA 0.391 5.130 4.740 -0.001 0.000 0.304 98 N C -0.802 174.720 175.510 0.021 0.000 1.073 98 N CA -0.848 52.280 53.050 0.130 0.000 0.822 98 N CB 1.974 40.483 38.487 0.037 0.000 1.280 98 N HN 0.451 nan 8.380 nan 0.000 0.489 99 R N 2.393 122.761 120.500 -0.221 0.000 2.489 99 R HA 0.203 4.543 4.340 -0.001 0.000 0.287 99 R C -0.387 175.689 176.300 -0.372 0.000 1.053 99 R CA -0.281 55.363 56.100 -0.760 0.000 1.036 99 R CB 0.158 30.045 30.300 -0.690 0.000 0.966 99 R HN 0.562 nan 8.270 nan 0.000 0.432 100 I N 7.974 128.332 120.570 -0.352 0.000 2.662 100 I HA 0.015 4.185 4.170 -0.001 0.000 0.285 100 I C -1.396 174.588 176.117 -0.221 0.000 1.161 100 I CA -1.397 59.780 61.300 -0.205 0.000 1.415 100 I CB 0.769 38.680 38.000 -0.149 0.000 1.385 100 I HN 0.515 nan 8.210 nan 0.000 0.552 101 P HA 0.015 nan 4.420 nan 0.000 0.235 101 P C -0.224 176.981 177.300 -0.160 0.000 1.720 101 P CA -0.131 62.884 63.100 -0.141 0.000 1.003 101 P CB -0.510 31.135 31.700 -0.093 0.000 1.968 102 S N 1.439 116.992 115.700 -0.245 0.000 2.693 102 S HA 0.631 5.101 4.470 -0.001 0.000 0.276 102 S C -2.369 172.097 174.600 -0.223 0.000 1.192 102 S CA -1.583 56.426 58.200 -0.318 0.000 0.994 102 S CB -0.444 62.324 63.200 -0.720 0.000 1.012 102 S HN 0.028 nan 8.310 nan 0.000 0.550 103 P HA 0.186 nan 4.420 nan 0.000 0.269 103 P C 0.056 177.382 177.300 0.042 0.000 1.217 103 P CA -0.110 62.969 63.100 -0.035 0.000 0.783 103 P CB 0.105 31.808 31.700 0.005 0.000 0.898 104 T N 0.610 115.187 114.554 0.038 0.000 2.828 104 T HA 0.244 4.593 4.350 -0.001 0.000 0.290 104 T C 1.158 175.866 174.700 0.013 0.000 1.019 104 T CA -0.328 61.811 62.100 0.066 0.000 1.031 104 T CB 0.032 68.926 68.868 0.044 0.000 1.001 104 T HN 0.170 nan 8.240 nan 0.000 0.531 105 L N 1.049 122.237 121.223 -0.057 0.000 2.276 105 L HA 0.330 4.670 4.340 -0.001 0.000 0.194 105 L C 1.252 177.698 176.870 -0.707 0.000 1.099 105 L CA 0.627 55.189 54.840 -0.464 0.000 0.800 105 L CB -0.079 41.659 42.059 -0.536 0.000 0.994 105 L HN 0.626 nan 8.230 nan 0.000 0.475 106 F N -0.069 119.865 119.950 -0.027 0.000 2.683 106 F HA 0.483 5.010 4.527 -0.001 0.000 0.306 106 F C 0.940 176.770 175.800 0.051 0.000 1.102 106 F CA -0.013 57.980 58.000 -0.011 0.000 1.244 106 F CB 0.612 39.577 39.000 -0.059 0.000 1.029 106 F HN 0.151 nan 8.300 nan 0.000 0.545 107 G N 0.697 109.594 108.800 0.162 0.000 2.730 107 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.686 107 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.686 107 G C -0.086 174.908 174.900 0.156 0.000 1.343 107 G CA -0.559 44.621 45.100 0.134 0.000 0.826 107 G HN 0.449 nan 8.290 nan 0.000 0.582 108 N N -0.132 118.641 118.700 0.122 0.000 2.727 108 N HA -0.161 4.579 4.740 -0.001 0.000 0.249 108 N C 0.009 175.615 175.510 0.160 0.000 1.048 108 N CA 1.195 54.320 53.050 0.125 0.000 0.714 108 N CB -0.648 37.911 38.487 0.119 0.000 0.959 108 N HN 0.803 nan 8.380 nan 0.000 0.544 109 D N 0.552 121.050 120.400 0.164 0.000 2.423 109 D HA 0.079 4.719 4.640 -0.001 0.000 0.238 109 D C 0.761 177.185 176.300 0.207 0.000 1.142 109 D CA 0.446 54.571 54.000 0.207 0.000 0.884 109 D CB 0.802 41.704 40.800 0.170 0.000 1.199 109 D HN 0.255 nan 8.370 nan 0.000 0.438 110 I N 3.026 123.773 120.570 0.296 0.000 2.287 110 I HA 0.019 4.189 4.170 -0.001 0.000 0.290 110 I C 1.358 177.644 176.117 0.282 0.000 1.069 110 I CA -0.507 60.956 61.300 0.271 0.000 1.237 110 I CB 0.496 38.700 38.000 0.340 0.000 1.418 110 I HN 0.110 nan 8.210 nan 0.000 0.481 111 N N 2.809 121.612 118.700 0.172 0.000 2.309 111 N HA -0.095 4.644 4.740 -0.001 0.000 0.182 111 N C 0.634 176.247 175.510 0.173 0.000 1.018 111 N CA 0.729 53.854 53.050 0.125 0.000 0.876 111 N CB 0.238 38.754 38.487 0.049 0.000 0.972 111 N HN 0.479 nan 8.380 nan 0.000 0.434 112 S N 0.435 116.218 115.700 0.138 0.000 2.659 112 S HA 0.531 5.000 4.470 -0.001 0.000 0.312 112 S C -0.931 173.663 174.600 -0.011 0.000 1.114 112 S CA -0.540 57.706 58.200 0.076 0.000 1.063 112 S CB 0.928 64.150 63.200 0.037 0.000 0.996 112 S HN -0.171 nan 8.310 nan 0.000 0.478 113 V N 4.848 124.699 119.914 -0.105 0.000 2.962 113 V HA 0.680 4.800 4.120 -0.001 0.000 0.313 113 V C -1.006 174.933 176.094 -0.258 0.000 1.099 113 V CA -0.898 61.213 62.300 -0.314 0.000 0.971 113 V CB 2.131 33.534 31.823 -0.699 0.000 1.028 113 V HN 0.848 nan 8.190 nan 0.000 0.430 114 L N 4.051 125.126 121.223 -0.247 0.000 2.305 114 L HA 0.596 4.935 4.340 -0.001 0.000 0.284 114 L C -1.009 175.799 176.870 -0.104 0.000 1.013 114 L CA -0.089 54.664 54.840 -0.144 0.000 0.819 114 L CB 1.149 43.150 42.059 -0.097 0.000 1.227 114 L HN 0.578 nan 8.230 nan 0.000 0.417 115 F N 4.646 124.461 119.950 -0.225 0.000 2.411 115 F HA 0.640 5.167 4.527 -0.001 0.000 0.355 115 F C -0.352 175.427 175.800 -0.035 0.000 1.117 115 F CA 0.018 57.934 58.000 -0.141 0.000 1.139 115 F CB 0.902 39.767 39.000 -0.224 0.000 1.120 115 F HN 0.526 nan 8.300 nan 0.000 0.493 116 T N 4.162 118.382 114.554 -0.555 0.000 2.861 116 T HA 0.508 4.857 4.350 -0.001 0.000 0.287 116 T C -0.334 173.986 174.700 -0.634 0.000 1.003 116 T CA -0.711 61.105 62.100 -0.474 0.000 0.977 116 T CB 1.510 70.229 68.868 -0.249 0.000 0.996 116 T HN 0.701 nan 8.240 nan 0.000 0.448 117 T N 1.013 115.290 114.554 -0.462 0.000 2.912 117 T HA 0.698 5.047 4.350 -0.001 0.000 0.288 117 T C -1.049 173.539 174.700 -0.186 0.000 1.030 117 T CA -0.927 60.967 62.100 -0.343 0.000 1.020 117 T CB 1.587 70.439 68.868 -0.028 0.000 1.056 117 T HN 0.521 nan 8.240 nan 0.000 0.480 118 Q N 1.888 121.521 119.800 -0.277 0.000 2.292 118 Q HA 0.362 4.702 4.340 -0.001 0.000 0.270 118 Q C -1.077 174.843 176.000 -0.133 0.000 1.024 118 Q CA -0.955 54.771 55.803 -0.128 0.000 0.768 118 Q CB 1.686 30.337 28.738 -0.146 0.000 1.250 118 Q HN 0.581 nan 8.270 nan 0.000 0.447 119 N N 3.017 121.781 118.700 0.106 0.000 2.508 119 N HA 0.030 4.770 4.740 -0.001 0.000 0.253 119 N C 0.282 175.783 175.510 -0.014 0.000 1.145 119 N CA 0.289 53.492 53.050 0.256 0.000 0.973 119 N CB 0.869 39.565 38.487 0.347 0.000 1.305 119 N HN 0.608 nan 8.380 nan 0.000 0.506 120 Q N 0.005 119.646 119.800 -0.266 0.000 2.123 120 Q HA -0.003 4.336 4.340 -0.001 0.000 0.196 120 Q C 0.569 176.429 176.000 -0.234 0.000 0.958 120 Q CA 0.884 56.225 55.803 -0.770 0.000 0.841 120 Q CB 0.331 28.604 28.738 -0.776 0.000 0.915 120 Q HN 0.654 nan 8.270 nan 0.000 0.455 121 T N -4.406 110.156 114.554 0.014 0.000 2.816 121 T HA 0.271 4.621 4.350 -0.001 0.000 0.299 121 T C -2.548 172.258 174.700 0.177 0.000 1.230 121 T CA -1.799 60.355 62.100 0.090 0.000 1.007 121 T CB 1.578 70.483 68.868 0.062 0.000 1.289 121 T HN -0.306 nan 8.240 nan 0.000 0.508 122 P HA -0.021 nan 4.420 nan 0.000 0.217 122 P C 1.053 178.457 177.300 0.173 0.000 1.148 122 P CA 1.075 64.201 63.100 0.043 0.000 0.828 122 P CB 0.029 31.735 31.700 0.010 0.000 0.783 123 N N -1.662 117.169 118.700 0.219 0.000 2.325 123 N HA 0.020 4.760 4.740 -0.001 0.000 0.182 123 N C 0.712 176.384 175.510 0.270 0.000 1.088 123 N CA 0.098 53.293 53.050 0.242 0.000 0.879 123 N CB 0.591 39.156 38.487 0.131 0.000 0.983 123 N HN 0.097 nan 8.380 nan 0.000 0.471 124 R N 0.760 121.415 120.500 0.259 0.000 2.409 124 R HA 0.222 4.561 4.340 -0.001 0.000 0.313 124 R C -1.725 174.542 176.300 -0.056 0.000 0.953 124 R CA -0.465 55.690 56.100 0.092 0.000 0.849 124 R CB 0.728 31.061 30.300 0.056 0.000 1.171 124 R HN -0.170 nan 8.270 nan 0.000 0.458 125 F N 3.916 123.572 119.950 -0.490 0.000 2.443 125 F HA 0.537 5.064 4.527 -0.001 0.000 0.335 125 F C -0.781 174.821 175.800 -0.329 0.000 1.104 125 F CA -0.807 56.791 58.000 -0.670 0.000 1.013 125 F CB 1.185 39.500 39.000 -1.141 0.000 1.136 125 F HN 0.423 nan 8.300 nan 0.000 0.470 126 R N 6.438 126.236 120.500 -1.171 0.000 2.621 126 R HA 0.563 4.903 4.340 -0.001 0.000 0.292 126 R C -1.975 173.562 176.300 -1.272 0.000 0.969 126 R CA -0.668 54.731 56.100 -1.168 0.000 0.887 126 R CB 1.525 31.242 30.300 -0.972 0.000 1.180 126 R HN 0.721 nan 8.270 nan 0.000 0.450 127 F N 1.765 121.124 119.950 -0.986 0.000 2.578 127 F HA 0.603 5.129 4.527 -0.001 0.000 0.311 127 F C -1.556 174.016 175.800 -0.381 0.000 1.094 127 F CA -0.951 56.656 58.000 -0.654 0.000 0.923 127 F CB 1.539 40.323 39.000 -0.361 0.000 1.230 127 F HN 0.385 nan 8.300 nan 0.000 0.450 128 K N 3.875 124.130 120.400 -0.242 0.000 2.426 128 K HA 0.771 5.090 4.320 -0.001 0.000 0.251 128 K C -1.737 174.876 176.600 0.022 0.000 0.941 128 K CA -0.862 55.327 56.287 -0.164 0.000 0.808 128 K CB 2.993 35.352 32.500 -0.236 0.000 1.265 128 K HN 0.806 nan 8.250 nan 0.000 0.432 129 I N 2.180 122.813 120.570 0.104 0.000 2.382 129 I HA 0.254 4.423 4.170 -0.001 0.000 0.286 129 I C -0.288 175.814 176.117 -0.024 0.000 1.002 129 I CA -0.433 60.892 61.300 0.043 0.000 1.135 129 I CB 1.985 40.050 38.000 0.108 0.000 1.288 129 I HN 0.859 nan 8.210 nan 0.000 0.448 130 T N 0.265 114.730 114.554 -0.149 0.000 2.907 130 T HA 0.412 4.762 4.350 -0.001 0.000 0.290 130 T C -0.916 173.683 174.700 -0.168 0.000 1.066 130 T CA -0.857 61.201 62.100 -0.071 0.000 1.012 130 T CB 2.343 71.184 68.868 -0.044 0.000 1.184 130 T HN 0.361 nan 8.240 nan 0.000 0.522 131 D N 1.671 122.053 120.400 -0.029 0.000 2.359 131 D HA 0.345 4.984 4.640 -0.001 0.000 0.230 131 D C -1.425 174.865 176.300 -0.016 0.000 1.118 131 D CA -2.528 51.460 54.000 -0.020 0.000 0.844 131 D CB 1.636 42.492 40.800 0.094 0.000 1.059 131 D HN 0.258 nan 8.370 nan 0.000 0.493 132 P HA 0.028 nan 4.420 nan 0.000 0.245 132 P C 0.278 177.575 177.300 -0.005 0.000 1.212 132 P CA 0.299 63.384 63.100 -0.025 0.000 0.774 132 P CB 0.594 32.273 31.700 -0.034 0.000 0.999 133 N N -0.398 118.307 118.700 0.008 0.000 2.220 133 N HA 0.048 4.788 4.740 -0.001 0.000 0.195 133 N C -0.058 175.468 175.510 0.027 0.000 1.123 133 N CA 0.247 53.307 53.050 0.017 0.000 0.874 133 N CB 0.232 38.733 38.487 0.023 0.000 0.995 133 N HN 0.177 nan 8.380 nan 0.000 0.498 134 N N 0.168 118.888 118.700 0.034 0.000 2.425 134 N HA 0.164 4.903 4.740 -0.001 0.000 0.289 134 N C -1.262 174.275 175.510 0.045 0.000 1.074 134 N CA -0.559 52.517 53.050 0.044 0.000 0.905 134 N CB 1.355 39.879 38.487 0.062 0.000 1.586 134 N HN -0.278 nan 8.380 nan 0.000 0.490 135 R N 2.680 123.203 120.500 0.038 0.000 2.609 135 R HA 0.246 4.586 4.340 -0.001 0.000 0.271 135 R C -0.196 176.138 176.300 0.057 0.000 1.403 135 R CA -0.134 55.986 56.100 0.034 0.000 1.138 135 R CB -0.339 29.974 30.300 0.022 0.000 1.142 135 R HN 0.488 nan 8.270 nan 0.000 0.559 136 R N 2.364 122.908 120.500 0.073 0.000 2.694 136 R HA -0.044 4.296 4.340 -0.001 0.000 0.268 136 R C -0.229 176.136 176.300 0.108 0.000 1.061 136 R CA -0.409 55.758 56.100 0.111 0.000 1.133 136 R CB 0.249 30.629 30.300 0.134 0.000 1.020 136 R HN 0.456 nan 8.270 nan 0.000 0.475 137 Y N 1.712 122.037 120.300 0.043 0.000 2.810 137 Y HA -0.121 4.428 4.550 -0.001 0.000 0.332 137 Y C -0.342 175.561 175.900 0.006 0.000 1.243 137 Y CA 0.803 58.922 58.100 0.031 0.000 1.537 137 Y CB 0.419 38.915 38.460 0.059 0.000 1.265 137 Y HN 0.479 nan 8.280 nan 0.000 0.572 138 E N 4.270 124.000 120.200 -0.783 0.000 2.288 138 E HA 0.368 4.717 4.350 -0.001 0.000 0.268 138 E C -1.246 174.723 176.600 -1.051 0.000 0.885 138 E CA -1.295 54.663 56.400 -0.737 0.000 0.767 138 E CB 2.189 31.679 29.700 -0.350 0.000 1.220 138 E HN 0.461 nan 8.360 nan 0.000 0.427 139 V N 4.118 123.606 119.914 -0.710 0.000 2.493 139 V HA 0.032 4.151 4.120 -0.001 0.000 0.292 139 V C -1.743 174.126 176.094 -0.374 0.000 1.016 139 V CA -0.654 61.367 62.300 -0.465 0.000 1.097 139 V CB -0.157 31.570 31.823 -0.160 0.000 0.947 139 V HN 0.578 nan 8.190 nan 0.000 0.479 140 P HA 0.106 nan 4.420 nan 0.000 0.225 140 P C 0.088 177.077 177.300 -0.517 0.000 1.813 140 P CA -0.229 62.541 63.100 -0.549 0.000 1.013 140 P CB -0.169 31.000 31.700 -0.885 0.000 1.961 141 H N 2.576 121.468 119.070 -0.296 0.000 2.928 141 H HA 0.035 4.590 4.556 -0.001 0.000 0.338 141 H C 0.926 176.250 175.328 -0.007 0.000 1.047 141 H CA 0.606 56.596 56.048 -0.097 0.000 1.435 141 H CB 1.036 30.800 29.762 0.004 0.000 1.428 141 H HN 0.241 nan 8.280 nan 0.000 0.590 142 Q N 4.116 123.899 119.800 -0.029 0.000 2.392 142 Q HA -0.089 4.251 4.340 -0.001 0.000 0.203 142 Q C 0.717 176.843 176.000 0.210 0.000 0.917 142 Q CA 0.460 56.311 55.803 0.080 0.000 0.939 142 Q CB 0.316 29.103 28.738 0.082 0.000 1.063 142 Q HN 0.715 nan 8.270 nan 0.000 0.516 143 Y N -0.077 120.384 120.300 0.268 0.000 2.594 143 Y HA 0.129 4.679 4.550 -0.001 0.000 0.283 143 Y C 0.612 176.618 175.900 0.176 0.000 1.140 143 Y CA -0.119 58.125 58.100 0.239 0.000 1.261 143 Y CB 0.662 39.262 38.460 0.233 0.000 1.358 143 Y HN -0.313 nan 8.280 nan 0.000 0.513 144 V N 4.104 124.199 119.914 0.301 0.000 2.509 144 V HA -0.061 4.058 4.120 -0.001 0.000 0.297 144 V C -0.134 175.919 176.094 -0.069 0.000 1.014 144 V CA 0.274 62.560 62.300 -0.024 0.000 1.127 144 V CB -0.047 31.692 31.823 -0.140 0.000 0.925 144 V HN 0.189 nan 8.190 nan 0.000 0.480 145 K N 3.173 123.498 120.400 -0.124 0.000 2.087 145 K HA 0.396 4.716 4.320 -0.001 0.000 0.255 145 K C 0.102 176.701 176.600 -0.000 0.000 0.988 145 K CA -0.640 55.597 56.287 -0.084 0.000 0.915 145 K CB 0.777 33.210 32.500 -0.113 0.000 1.043 145 K HN 0.665 nan 8.250 nan 0.000 0.457 146 E N 1.016 121.216 120.200 -0.001 0.000 2.390 146 E HA 0.119 4.468 4.350 -0.001 0.000 0.261 146 E C -1.490 175.169 176.600 0.099 0.000 1.076 146 E CA -0.012 56.408 56.400 0.033 0.000 0.905 146 E CB 0.399 30.092 29.700 -0.011 0.000 0.984 146 E HN 0.324 nan 8.360 nan 0.000 0.427 147 F N 2.533 122.456 119.950 -0.045 0.000 2.460 147 F HA 0.318 4.845 4.527 -0.001 0.000 0.341 147 F C 0.603 176.380 175.800 -0.039 0.000 1.130 147 F CA -0.196 57.782 58.000 -0.036 0.000 0.962 147 F CB 1.464 40.449 39.000 -0.025 0.000 1.171 147 F HN 0.489 nan 8.300 nan 0.000 0.436 148 T N 1.083 115.253 114.554 -0.640 0.000 2.975 148 T HA 0.663 5.013 4.350 -0.001 0.000 0.257 148 T C 0.528 174.835 174.700 -0.655 0.000 1.003 148 T CA 0.152 61.966 62.100 -0.476 0.000 0.932 148 T CB 0.137 68.852 68.868 -0.255 0.000 1.087 148 T HN 1.082 nan 8.240 nan 0.000 0.512 149 G N 1.874 109.966 108.800 -1.181 0.000 2.359 149 G HA2 0.450 4.409 3.960 -0.001 0.000 0.293 149 G HA3 0.450 4.409 3.960 -0.001 0.000 0.293 149 G C -3.183 171.417 174.900 -0.500 0.000 1.300 149 G CA -0.620 44.036 45.100 -0.741 0.000 0.888 149 G HN 0.234 nan 8.290 nan 0.000 0.541 150 P HA 0.495 nan 4.420 nan 0.000 0.284 150 P C -0.026 177.315 177.300 0.069 0.000 1.292 150 P CA -0.181 62.887 63.100 -0.053 0.000 0.800 150 P CB 0.539 32.236 31.700 -0.005 0.000 1.188 151 T N 0.126 114.717 114.554 0.061 0.000 2.902 151 T HA 0.163 4.513 4.350 -0.001 0.000 0.301 151 T C 0.257 175.026 174.700 0.115 0.000 1.012 151 T CA -0.077 62.087 62.100 0.106 0.000 1.151 151 T CB -0.090 68.816 68.868 0.063 0.000 0.946 151 T HN 0.092 nan 8.240 nan 0.000 0.542 152 V N 4.260 124.258 119.914 0.141 0.000 2.383 152 V HA 0.147 4.267 4.120 -0.001 0.000 0.275 152 V C 1.154 177.275 176.094 0.045 0.000 1.036 152 V CA -0.153 62.205 62.300 0.096 0.000 0.889 152 V CB 1.362 33.250 31.823 0.108 0.000 0.985 152 V HN 1.000 nan 8.190 nan 0.000 0.459 153 S N 2.570 118.283 115.700 0.021 0.000 2.325 153 S HA -0.046 4.424 4.470 -0.001 0.000 0.213 153 S C 0.658 175.236 174.600 -0.037 0.000 1.031 153 S CA 0.960 59.159 58.200 -0.002 0.000 0.984 153 S CB -0.011 63.189 63.200 0.001 0.000 0.939 153 S HN 0.853 nan 8.310 nan 0.000 0.438 154 D N 2.697 123.070 120.400 -0.046 0.000 2.557 154 D HA 0.235 4.874 4.640 -0.001 0.000 0.236 154 D C -0.075 176.145 176.300 -0.134 0.000 1.154 154 D CA 0.014 53.968 54.000 -0.076 0.000 0.985 154 D CB 0.372 41.143 40.800 -0.048 0.000 1.010 154 D HN 0.381 nan 8.370 nan 0.000 0.516 155 T N -1.911 112.497 114.554 -0.244 0.000 2.899 155 T HA 0.240 4.589 4.350 -0.001 0.000 0.295 155 T C 1.567 175.999 174.700 -0.447 0.000 1.033 155 T CA -0.634 61.167 62.100 -0.498 0.000 1.084 155 T CB 1.256 69.519 68.868 -1.007 0.000 0.979 155 T HN 0.166 nan 8.240 nan 0.000 0.532 156 L N 0.715 121.699 121.223 -0.398 0.000 2.418 156 L HA 0.178 4.518 4.340 -0.001 0.000 0.218 156 L C 0.284 177.085 176.870 -0.115 0.000 1.125 156 L CA 0.086 54.833 54.840 -0.154 0.000 0.835 156 L CB -0.486 41.577 42.059 0.007 0.000 0.953 156 L HN 0.758 nan 8.230 nan 0.000 0.454 157 Y N -2.764 117.506 120.300 -0.049 0.000 2.457 157 Y HA 0.690 5.240 4.550 -0.001 0.000 0.333 157 Y C -0.521 175.296 175.900 -0.139 0.000 1.119 157 Y CA -1.743 56.290 58.100 -0.112 0.000 1.143 157 Y CB 0.747 39.114 38.460 -0.154 0.000 1.230 157 Y HN -0.229 nan 8.280 nan 0.000 0.469 158 D N 0.791 121.185 120.400 -0.010 0.000 2.457 158 D HA 0.584 5.224 4.640 -0.001 0.000 0.240 158 D C -1.528 174.698 176.300 -0.124 0.000 1.041 158 D CA -0.428 53.535 54.000 -0.061 0.000 0.861 158 D CB 2.709 43.468 40.800 -0.068 0.000 1.394 158 D HN 0.500 nan 8.370 nan 0.000 0.473 159 V N 3.076 122.908 119.914 -0.137 0.000 2.487 159 V HA 0.382 4.501 4.120 -0.001 0.000 0.298 159 V C -0.049 175.989 176.094 -0.094 0.000 1.028 159 V CA -0.793 61.387 62.300 -0.201 0.000 0.860 159 V CB 1.903 33.547 31.823 -0.298 0.000 0.991 159 V HN 0.378 nan 8.190 nan 0.000 0.427 160 K N 3.534 123.867 120.400 -0.112 0.000 2.323 160 K HA 0.742 5.062 4.320 -0.001 0.000 0.259 160 K C -1.559 174.959 176.600 -0.137 0.000 0.947 160 K CA -0.504 55.725 56.287 -0.096 0.000 0.819 160 K CB 2.020 34.459 32.500 -0.102 0.000 1.109 160 K HN 0.493 nan 8.250 nan 0.000 0.429 161 V N 3.665 123.512 119.914 -0.111 0.000 2.334 161 V HA 0.403 4.523 4.120 -0.001 0.000 0.281 161 V C 0.076 176.071 176.094 -0.165 0.000 1.016 161 V CA -0.943 61.245 62.300 -0.187 0.000 0.832 161 V CB 1.036 32.805 31.823 -0.090 0.000 0.999 161 V HN 0.933 nan 8.190 nan 0.000 0.439 162 A N 4.290 126.964 122.820 -0.244 0.000 2.351 162 A HA 0.513 4.833 4.320 -0.001 0.000 0.257 162 A C 0.849 178.372 177.584 -0.102 0.000 1.087 162 A CA -0.216 51.722 52.037 -0.165 0.000 0.798 162 A CB 0.636 19.525 19.000 -0.185 0.000 1.033 162 A HN 0.815 nan 8.150 nan 0.000 0.488 163 Q N 0.465 120.243 119.800 -0.038 0.000 2.387 163 Q HA 0.053 4.393 4.340 -0.001 0.000 0.208 163 Q C -0.517 175.503 176.000 0.033 0.000 0.935 163 Q CA 0.847 56.660 55.803 0.016 0.000 0.891 163 Q CB 0.021 28.767 28.738 0.013 0.000 1.007 163 Q HN 0.858 nan 8.270 nan 0.000 0.548 164 N N 2.353 121.059 118.700 0.009 0.000 2.617 164 N HA 0.278 5.018 4.740 -0.001 0.000 0.263 164 N C -2.514 172.998 175.510 0.004 0.000 1.074 164 N CA -0.838 52.221 53.050 0.016 0.000 0.841 164 N CB 1.444 39.937 38.487 0.010 0.000 1.221 164 N HN 0.081 nan 8.380 nan 0.000 0.529 165 P HA 0.255 nan 4.420 nan 0.000 0.279 165 P C -0.578 176.752 177.300 0.048 0.000 1.276 165 P CA -0.633 62.498 63.100 0.050 0.000 0.801 165 P CB 0.718 32.452 31.700 0.057 0.000 1.127 166 F N 1.412 121.337 119.950 -0.043 0.000 2.578 166 F HA 0.307 4.834 4.527 -0.001 0.000 0.376 166 F C 0.073 175.789 175.800 -0.140 0.000 1.085 166 F CA 0.749 58.680 58.000 -0.114 0.000 1.260 166 F CB 0.309 39.237 39.000 -0.120 0.000 1.095 166 F HN 0.483 nan 8.300 nan 0.000 0.573 167 S N 6.785 121.823 115.700 -1.103 0.000 2.588 167 S HA 0.587 5.057 4.470 -0.001 0.000 0.269 167 S C -1.303 172.610 174.600 -1.145 0.000 1.157 167 S CA -1.105 56.401 58.200 -1.157 0.000 0.824 167 S CB 1.453 64.346 63.200 -0.513 0.000 1.126 167 S HN 0.916 nan 8.310 nan 0.000 0.464 168 I N 0.745 120.797 120.570 -0.862 0.000 2.509 168 I HA 0.458 4.627 4.170 -0.001 0.000 0.293 168 I C -1.273 174.665 176.117 -0.298 0.000 1.020 168 I CA -0.703 60.265 61.300 -0.553 0.000 1.088 168 I CB 1.904 39.582 38.000 -0.536 0.000 1.267 168 I HN 0.805 nan 8.210 nan 0.000 0.430 169 Q N 6.045 125.715 119.800 -0.218 0.000 2.322 169 Q HA 0.470 4.810 4.340 -0.001 0.000 0.265 169 Q C -1.307 174.614 176.000 -0.132 0.000 0.985 169 Q CA -0.782 54.937 55.803 -0.140 0.000 0.849 169 Q CB 2.859 31.514 28.738 -0.139 0.000 1.274 169 Q HN 0.455 nan 8.270 nan 0.000 0.449 170 V N 4.888 124.756 119.914 -0.077 0.000 2.370 170 V HA 0.459 4.578 4.120 -0.001 0.000 0.279 170 V C -0.137 175.869 176.094 -0.148 0.000 1.029 170 V CA -0.380 61.818 62.300 -0.171 0.000 0.870 170 V CB 0.932 32.644 31.823 -0.185 0.000 0.984 170 V HN 0.646 nan 8.190 nan 0.000 0.451 171 I N 4.447 124.934 120.570 -0.138 0.000 2.509 171 I HA 0.517 4.686 4.170 -0.001 0.000 0.293 171 I C 0.237 176.312 176.117 -0.070 0.000 1.020 171 I CA -0.719 60.519 61.300 -0.104 0.000 1.088 171 I CB 1.988 39.937 38.000 -0.086 0.000 1.267 171 I HN 0.524 nan 8.210 nan 0.000 0.430 172 R N 5.385 125.845 120.500 -0.066 0.000 2.267 172 R HA 0.201 4.541 4.340 -0.001 0.000 0.319 172 R C 0.726 177.009 176.300 -0.028 0.000 1.067 172 R CA -0.261 55.821 56.100 -0.029 0.000 0.936 172 R CB 0.721 31.007 30.300 -0.022 0.000 1.006 172 R HN 0.631 nan 8.270 nan 0.000 0.452 173 K N 1.583 121.965 120.400 -0.030 0.000 2.057 173 K HA -0.135 4.185 4.320 -0.001 0.000 0.207 173 K C 1.940 178.524 176.600 -0.027 0.000 1.049 173 K CA 1.884 58.147 56.287 -0.040 0.000 0.931 173 K CB 0.007 32.470 32.500 -0.062 0.000 0.714 173 K HN 0.720 nan 8.250 nan 0.000 0.440 174 S N 2.290 117.980 115.700 -0.018 0.000 2.365 174 S HA -0.187 4.283 4.470 -0.001 0.000 0.225 174 S C 1.457 176.055 174.600 -0.002 0.000 1.039 174 S CA 1.808 60.004 58.200 -0.008 0.000 1.033 174 S CB -0.457 62.744 63.200 0.001 0.000 0.887 174 S HN 0.415 nan 8.310 nan 0.000 0.447 175 N N 0.236 118.936 118.700 -0.000 0.000 2.171 175 N HA 0.296 5.036 4.740 -0.001 0.000 0.212 175 N C 1.095 176.603 175.510 -0.003 0.000 1.184 175 N CA 0.417 53.470 53.050 0.004 0.000 0.888 175 N CB -0.249 38.248 38.487 0.017 0.000 1.038 175 N HN 0.673 nan 8.380 nan 0.000 0.517 176 G N 0.753 109.545 108.800 -0.014 0.000 2.168 176 G HA2 -0.388 3.571 3.960 -0.001 0.000 0.257 176 G HA3 -0.388 3.571 3.960 -0.001 0.000 0.257 176 G C -0.146 174.738 174.900 -0.027 0.000 0.997 176 G CA 0.619 45.705 45.100 -0.023 0.000 0.708 176 G HN 0.750 nan 8.290 nan 0.000 0.520 177 K N 1.056 121.442 120.400 -0.024 0.000 2.297 177 K HA 0.501 4.820 4.320 -0.001 0.000 0.286 177 K C 0.389 176.951 176.600 -0.063 0.000 1.053 177 K CA -0.121 56.149 56.287 -0.027 0.000 0.940 177 K CB 0.446 32.944 32.500 -0.004 0.000 1.019 177 K HN 0.017 nan 8.250 nan 0.000 0.475 178 T N 5.983 120.498 114.554 -0.066 0.000 2.779 178 T HA 0.142 4.492 4.350 -0.001 0.000 0.296 178 T C 1.094 175.716 174.700 -0.130 0.000 0.938 178 T CA -0.320 61.723 62.100 -0.094 0.000 1.119 178 T CB 0.434 69.255 68.868 -0.079 0.000 0.891 178 T HN 0.577 nan 8.240 nan 0.000 0.526 179 L N 2.034 123.120 121.223 -0.229 0.000 2.316 179 L HA 0.417 4.757 4.340 -0.001 0.000 0.207 179 L C 0.335 177.049 176.870 -0.259 0.000 1.070 179 L CA 0.460 54.994 54.840 -0.510 0.000 0.820 179 L CB 0.231 41.698 42.059 -0.987 0.000 0.992 179 L HN 0.517 nan 8.230 nan 0.000 0.466 180 F N 0.894 120.687 119.950 -0.261 0.000 2.745 180 F HA 0.372 4.899 4.527 -0.001 0.000 0.343 180 F C -1.382 174.348 175.800 -0.117 0.000 1.196 180 F CA -1.070 56.870 58.000 -0.101 0.000 1.021 180 F CB 1.169 40.135 39.000 -0.058 0.000 1.297 180 F HN -0.219 nan 8.300 nan 0.000 0.486 181 D N 3.718 123.934 120.400 -0.307 0.000 2.542 181 D HA 0.277 4.917 4.640 -0.001 0.000 0.252 181 D C -0.004 176.092 176.300 -0.340 0.000 1.222 181 D CA -0.236 53.611 54.000 -0.254 0.000 0.895 181 D CB 2.139 42.839 40.800 -0.167 0.000 1.207 181 D HN 0.458 nan 8.370 nan 0.000 0.558 182 T N 1.037 115.389 114.554 -0.337 0.000 3.081 182 T HA -0.030 4.320 4.350 -0.001 0.000 0.250 182 T C 1.720 176.276 174.700 -0.240 0.000 1.100 182 T CA 0.953 62.861 62.100 -0.320 0.000 1.038 182 T CB 0.055 68.726 68.868 -0.328 0.000 0.962 182 T HN 0.495 nan 8.240 nan 0.000 0.516 183 S N 0.762 116.329 115.700 -0.222 0.000 2.515 183 S HA 0.012 4.481 4.470 -0.001 0.000 0.231 183 S C 1.822 176.358 174.600 -0.106 0.000 0.987 183 S CA 0.203 58.300 58.200 -0.171 0.000 0.936 183 S CB -0.483 62.624 63.200 -0.156 0.000 0.766 183 S HN 0.324 nan 8.310 nan 0.000 0.528 184 I N 1.949 122.457 120.570 -0.104 0.000 2.546 184 I HA 0.252 4.422 4.170 -0.001 0.000 0.255 184 I C 1.214 177.321 176.117 -0.016 0.000 1.163 184 I CA 0.519 61.784 61.300 -0.059 0.000 1.457 184 I CB -0.364 37.590 38.000 -0.077 0.000 1.092 184 I HN 0.478 nan 8.210 nan 0.000 0.434 185 G N -0.458 108.320 108.800 -0.035 0.000 2.733 185 G HA2 0.579 4.539 3.960 -0.001 0.000 0.288 185 G HA3 0.579 4.539 3.960 -0.001 0.000 0.288 185 G C -2.879 171.984 174.900 -0.062 0.000 1.373 185 G CA -0.942 44.145 45.100 -0.022 0.000 0.895 185 G HN -0.130 nan 8.290 nan 0.000 0.479 186 P HA 0.325 nan 4.420 nan 0.000 0.277 186 P C -0.683 176.606 177.300 -0.018 0.000 1.240 186 P CA -0.536 62.495 63.100 -0.116 0.000 0.798 186 P CB 1.833 33.321 31.700 -0.353 0.000 0.979 187 L N 3.335 124.654 121.223 0.159 0.000 2.319 187 L HA 0.280 4.620 4.340 -0.001 0.000 0.280 187 L C -0.791 176.267 176.870 0.314 0.000 1.099 187 L CA -0.151 54.832 54.840 0.238 0.000 0.828 187 L CB 0.541 42.777 42.059 0.295 0.000 1.150 187 L HN 0.069 nan 8.230 nan 0.000 0.442 188 V N 6.285 126.344 119.914 0.242 0.000 2.495 188 V HA 0.390 4.510 4.120 -0.001 0.000 0.298 188 V C -1.151 175.140 176.094 0.327 0.000 1.031 188 V CA -0.534 61.962 62.300 0.327 0.000 0.871 188 V CB 1.353 33.338 31.823 0.269 0.000 0.988 188 V HN 0.696 nan 8.190 nan 0.000 0.432 189 Y N 3.927 124.408 120.300 0.302 0.000 2.359 189 Y HA 0.563 5.112 4.550 -0.001 0.000 0.336 189 Y C 0.103 176.151 175.900 0.246 0.000 1.098 189 Y CA -0.217 57.996 58.100 0.188 0.000 1.272 189 Y CB 1.628 40.093 38.460 0.009 0.000 1.112 189 Y HN 0.785 nan 8.280 nan 0.000 0.481 190 S N 1.139 116.949 115.700 0.184 0.000 2.661 190 S HA 0.270 4.739 4.470 -0.001 0.000 0.285 190 S C 0.262 174.935 174.600 0.122 0.000 1.138 190 S CA -0.651 57.685 58.200 0.226 0.000 0.855 190 S CB 1.757 65.134 63.200 0.295 0.000 1.136 190 S HN 0.572 nan 8.310 nan 0.000 0.484 191 D N 0.268 120.757 120.400 0.147 0.000 2.149 191 D HA -0.141 4.499 4.640 -0.001 0.000 0.198 191 D C 1.072 177.434 176.300 0.103 0.000 0.990 191 D CA 1.744 55.809 54.000 0.109 0.000 0.839 191 D CB 0.057 40.917 40.800 0.100 0.000 0.948 191 D HN 0.652 nan 8.370 nan 0.000 0.460 192 Q N -1.656 118.236 119.800 0.153 0.000 2.115 192 Q HA 0.151 4.491 4.340 -0.001 0.000 0.249 192 Q C -1.175 174.988 176.000 0.272 0.000 0.830 192 Q CA -0.331 55.592 55.803 0.200 0.000 1.104 192 Q CB 1.331 30.180 28.738 0.186 0.000 1.207 192 Q HN 0.292 nan 8.270 nan 0.000 0.464 193 Y N 0.607 120.939 120.300 0.054 0.000 2.274 193 Y HA 0.357 4.907 4.550 -0.001 0.000 0.323 193 Y C -1.991 173.888 175.900 -0.034 0.000 1.171 193 Y CA -0.766 57.338 58.100 0.006 0.000 1.163 193 Y CB 0.795 39.283 38.460 0.047 0.000 1.183 193 Y HN -0.052 nan 8.280 nan 0.000 0.424 194 L N 5.736 126.641 121.223 -0.530 0.000 2.329 194 L HA 0.681 5.020 4.340 -0.001 0.000 0.279 194 L C -0.726 175.803 176.870 -0.569 0.000 1.014 194 L CA -0.808 53.753 54.840 -0.466 0.000 0.814 194 L CB 2.136 43.977 42.059 -0.364 0.000 1.257 194 L HN 0.617 nan 8.230 nan 0.000 0.424 195 Q N 3.485 123.104 119.800 -0.301 0.000 2.315 195 Q HA 0.721 5.061 4.340 -0.001 0.000 0.273 195 Q C -1.918 174.115 176.000 0.054 0.000 1.053 195 Q CA -0.592 55.114 55.803 -0.162 0.000 0.817 195 Q CB 3.387 32.027 28.738 -0.163 0.000 1.326 195 Q HN 0.728 nan 8.270 nan 0.000 0.423 196 I N 1.511 122.173 120.570 0.153 0.000 2.775 196 I HA 0.447 4.617 4.170 -0.001 0.000 0.295 196 I C -1.604 174.637 176.117 0.206 0.000 1.287 196 I CA -0.199 61.209 61.300 0.179 0.000 1.029 196 I CB 2.524 40.670 38.000 0.243 0.000 1.282 196 I HN 0.646 nan 8.210 nan 0.000 0.426 197 S N 4.788 120.538 115.700 0.083 0.000 2.568 197 S HA 0.936 5.406 4.470 -0.001 0.000 0.302 197 S C -0.914 173.606 174.600 -0.133 0.000 1.082 197 S CA -0.608 57.616 58.200 0.039 0.000 1.009 197 S CB 1.885 65.096 63.200 0.019 0.000 1.069 197 S HN 0.753 nan 8.310 nan 0.000 0.500 198 A N 2.056 124.757 122.820 -0.199 0.000 2.381 198 A HA 0.668 4.988 4.320 -0.001 0.000 0.299 198 A C -0.449 176.975 177.584 -0.266 0.000 1.049 198 A CA -0.767 50.989 52.037 -0.468 0.000 0.715 198 A CB 0.968 19.300 19.000 -1.113 0.000 1.222 198 A HN 0.800 nan 8.150 nan 0.000 0.428 199 R N 2.749 123.108 120.500 -0.235 0.000 2.438 199 R HA 0.589 4.929 4.340 -0.001 0.000 0.287 199 R C -1.066 175.184 176.300 -0.084 0.000 1.077 199 R CA -0.169 55.846 56.100 -0.141 0.000 1.034 199 R CB 0.298 30.526 30.300 -0.120 0.000 0.993 199 R HN 0.691 nan 8.270 nan 0.000 0.459 200 L N 5.693 126.910 121.223 -0.009 0.000 2.313 200 L HA 0.500 4.840 4.340 -0.001 0.000 0.268 200 L C -1.505 175.420 176.870 0.092 0.000 1.010 200 L CA -2.244 52.674 54.840 0.128 0.000 0.814 200 L CB 2.141 44.330 42.059 0.217 0.000 1.304 200 L HN 0.641 nan 8.230 nan 0.000 0.441 201 P HA 0.029 nan 4.420 nan 0.000 0.255 201 P C -0.013 177.366 177.300 0.132 0.000 1.248 201 P CA 0.374 63.541 63.100 0.112 0.000 0.807 201 P CB 0.633 32.399 31.700 0.109 0.000 1.150 202 S N -1.357 114.431 115.700 0.148 0.000 2.651 202 S HA 0.396 4.866 4.470 -0.001 0.000 0.279 202 S C -0.094 174.544 174.600 0.063 0.000 1.148 202 S CA -0.620 57.676 58.200 0.160 0.000 0.837 202 S CB 1.210 64.555 63.200 0.242 0.000 1.138 202 S HN -0.325 nan 8.310 nan 0.000 0.478 203 D N 0.333 120.768 120.400 0.057 0.000 2.319 203 D HA 0.201 4.840 4.640 -0.001 0.000 0.230 203 D C -1.017 174.936 176.300 -0.578 0.000 1.094 203 D CA 0.632 54.468 54.000 -0.274 0.000 0.856 203 D CB -0.226 40.350 40.800 -0.373 0.000 0.915 203 D HN 0.503 nan 8.370 nan 0.000 0.517 204 Y N 0.432 120.629 120.300 -0.171 0.000 2.447 204 Y HA 0.437 4.986 4.550 -0.001 0.000 0.325 204 Y C 0.129 175.690 175.900 -0.566 0.000 0.976 204 Y CA -0.579 57.319 58.100 -0.337 0.000 1.280 204 Y CB 0.990 39.345 38.460 -0.174 0.000 1.104 204 Y HN -0.275 nan 8.280 nan 0.000 0.486 205 I N 3.707 123.819 120.570 -0.763 0.000 2.545 205 I HA 0.463 4.633 4.170 -0.001 0.000 0.292 205 I C -1.311 174.236 176.117 -0.950 0.000 1.040 205 I CA -1.072 59.809 61.300 -0.698 0.000 1.068 205 I CB 2.025 39.652 38.000 -0.623 0.000 1.251 205 I HN 0.379 nan 8.210 nan 0.000 0.424 206 Y N 3.263 123.406 120.300 -0.261 0.000 2.457 206 Y HA 0.789 5.338 4.550 -0.001 0.000 0.343 206 Y C 0.505 176.288 175.900 -0.194 0.000 0.994 206 Y CA -0.631 57.239 58.100 -0.383 0.000 1.031 206 Y CB 2.181 40.228 38.460 -0.690 0.000 1.246 206 Y HN 0.819 nan 8.280 nan 0.000 0.449 207 G N 1.393 110.242 108.800 0.082 0.000 2.306 207 G HA2 0.225 4.185 3.960 -0.001 0.000 0.262 207 G HA3 0.225 4.185 3.960 -0.001 0.000 0.262 207 G C -1.211 173.906 174.900 0.361 0.000 1.263 207 G CA -0.566 44.641 45.100 0.178 0.000 1.088 207 G HN 1.024 nan 8.290 nan 0.000 0.489 208 I N -1.093 119.746 120.570 0.449 0.000 8.785 208 I HA 0.193 4.363 4.170 -0.001 0.000 0.126 208 I C 0.596 176.925 176.117 0.353 0.000 1.862 208 I CA 1.230 62.692 61.300 0.270 0.000 2.038 208 I CB -0.801 37.217 38.000 0.029 0.000 3.895 208 I HN 2.345 nan 8.210 nan 0.000 0.169 209 G N 4.370 113.219 108.800 0.081 0.000 2.506 209 G HA2 0.546 4.506 3.960 -0.001 0.000 0.292 209 G HA3 0.546 4.506 3.960 -0.001 0.000 0.292 209 G C -1.932 172.950 174.900 -0.030 0.000 1.425 209 G CA -0.636 44.486 45.100 0.037 0.000 0.788 209 G HN 0.812 nan 8.290 nan 0.000 0.490 210 E N -0.133 120.105 120.200 0.063 0.000 2.134 210 E HA 0.592 4.941 4.350 -0.001 0.000 0.278 210 E C -0.582 176.065 176.600 0.078 0.000 0.959 210 E CA -0.297 56.190 56.400 0.146 0.000 0.783 210 E CB 0.954 30.857 29.700 0.338 0.000 1.095 210 E HN 0.399 nan 8.360 nan 0.000 0.399 211 Q N 1.381 121.153 119.800 -0.046 0.000 2.615 211 Q HA 0.415 4.755 4.340 -0.001 0.000 0.298 211 Q C -1.368 174.508 176.000 -0.207 0.000 1.023 211 Q CA -0.871 54.915 55.803 -0.029 0.000 0.768 211 Q CB 2.095 30.946 28.738 0.189 0.000 1.500 211 Q HN 0.330 nan 8.270 nan 0.000 0.441 212 V N 2.037 121.917 119.914 -0.057 0.000 2.372 212 V HA 0.127 4.247 4.120 -0.001 0.000 0.261 212 V C 0.150 176.174 176.094 -0.117 0.000 1.055 212 V CA 0.092 62.319 62.300 -0.123 0.000 0.930 212 V CB -0.077 31.680 31.823 -0.110 0.000 1.031 212 V HN 0.740 nan 8.190 nan 0.000 0.479 213 H N 3.145 122.074 119.070 -0.235 0.000 2.497 213 H HA 0.069 4.625 4.556 -0.001 0.000 0.282 213 H C 1.436 176.615 175.328 -0.248 0.000 1.003 213 H CA 0.477 56.326 56.048 -0.331 0.000 1.307 213 H CB 0.274 29.719 29.762 -0.528 0.000 1.437 213 H HN 0.682 nan 8.280 nan 0.000 0.544 214 K N -0.878 119.401 120.400 -0.201 0.000 4.378 214 K HA -0.187 4.132 4.320 -0.001 0.000 0.416 214 K C 0.034 176.659 176.600 0.042 0.000 0.469 214 K CA 1.484 57.601 56.287 -0.283 0.000 1.807 214 K CB -0.637 31.567 32.500 -0.494 0.000 0.965 214 K HN 0.125 nan 8.250 nan 0.000 0.530 215 R N 0.177 120.696 120.500 0.033 0.000 2.562 215 R HA 0.248 4.588 4.340 -0.001 0.000 0.298 215 R C 0.514 176.869 176.300 0.092 0.000 0.961 215 R CA -0.378 55.775 56.100 0.089 0.000 0.881 215 R CB 0.973 31.298 30.300 0.042 0.000 1.159 215 R HN 0.030 nan 8.270 nan 0.000 0.450 216 F N 2.441 122.411 119.950 0.033 0.000 2.113 216 F HA -0.014 4.513 4.527 -0.001 0.000 0.297 216 F C 1.191 177.034 175.800 0.072 0.000 1.103 216 F CA 1.302 59.347 58.000 0.075 0.000 1.248 216 F CB 0.157 39.248 39.000 0.152 0.000 0.999 216 F HN 0.231 nan 8.300 nan 0.000 0.475 217 R N 1.441 121.935 120.500 -0.010 0.000 2.370 217 R HA -0.009 4.330 4.340 -0.001 0.000 0.309 217 R C -1.026 175.045 176.300 -0.383 0.000 1.059 217 R CA -0.154 55.760 56.100 -0.310 0.000 0.981 217 R CB -0.368 29.935 30.300 0.005 0.000 0.972 217 R HN 0.285 nan 8.270 nan 0.000 0.437 218 H N 1.847 120.589 119.070 -0.547 0.000 2.928 218 H HA -0.067 4.488 4.556 -0.001 0.000 0.338 218 H C -0.186 174.953 175.328 -0.316 0.000 1.047 218 H CA 0.878 56.664 56.048 -0.436 0.000 1.435 218 H CB 0.447 29.894 29.762 -0.524 0.000 1.428 218 H HN 0.486 nan 8.280 nan 0.000 0.590 219 D N 3.011 123.347 120.400 -0.107 0.000 2.390 219 D HA -0.016 4.623 4.640 -0.001 0.000 0.249 219 D C 0.455 176.680 176.300 -0.125 0.000 1.144 219 D CA 0.061 54.007 54.000 -0.090 0.000 0.880 219 D CB 0.803 41.586 40.800 -0.028 0.000 1.182 219 D HN 0.507 nan 8.370 nan 0.000 0.451 220 L N 2.308 123.407 121.223 -0.206 0.000 2.607 220 L HA 0.087 4.427 4.340 -0.001 0.000 0.228 220 L C 1.256 177.896 176.870 -0.384 0.000 1.123 220 L CA -0.040 54.611 54.840 -0.316 0.000 0.890 220 L CB 0.136 41.992 42.059 -0.337 0.000 1.103 220 L HN 0.272 nan 8.230 nan 0.000 0.468 221 S N 0.287 115.846 115.700 -0.236 0.000 4.087 221 S HA 0.093 4.563 4.470 -0.001 0.000 0.213 221 S C -0.531 174.055 174.600 -0.024 0.000 1.415 221 S CA -0.471 57.647 58.200 -0.136 0.000 0.893 221 S CB -0.784 62.436 63.200 0.034 0.000 1.529 221 S HN 0.392 nan 8.310 nan 0.000 0.457 222 W N 1.538 122.663 121.300 -0.292 0.000 5.432 222 W HA -0.167 4.493 4.660 -0.001 0.000 0.413 222 W C -0.127 176.095 176.519 -0.495 0.000 1.618 222 W CA -0.110 57.003 57.345 -0.386 0.000 0.942 222 W CB -1.723 27.744 29.460 0.012 0.000 2.830 222 W HN 0.286 nan 8.180 nan 0.000 1.362 223 K N 0.580 120.611 120.400 -0.616 0.000 2.159 223 K HA 0.661 4.980 4.320 -0.001 0.000 0.266 223 K C 0.334 176.543 176.600 -0.653 0.000 0.975 223 K CA -0.612 55.355 56.287 -0.534 0.000 0.865 223 K CB 1.582 33.846 32.500 -0.393 0.000 1.087 223 K HN -0.107 nan 8.250 nan 0.000 0.446 224 T N 2.009 116.242 114.554 -0.534 0.000 2.779 224 T HA 0.436 4.785 4.350 -0.001 0.000 0.280 224 T C -0.711 173.620 174.700 -0.616 0.000 0.987 224 T CA -0.587 61.352 62.100 -0.268 0.000 0.966 224 T CB 0.443 69.326 68.868 0.025 0.000 0.933 224 T HN 0.384 nan 8.240 nan 0.000 0.442 225 W N 5.375 126.704 121.300 0.048 0.000 2.393 225 W HA 0.381 5.040 4.660 -0.001 0.000 0.315 225 W C -2.455 174.101 176.519 0.062 0.000 1.009 225 W CA -2.297 55.081 57.345 0.055 0.000 1.313 225 W CB 1.375 30.861 29.460 0.042 0.000 1.269 225 W HN 0.381 nan 8.180 nan 0.000 0.420 226 P HA 0.463 nan 4.420 nan 0.000 0.286 226 P C -0.624 176.775 177.300 0.166 0.000 1.261 226 P CA -0.166 63.031 63.100 0.162 0.000 0.821 226 P CB 2.065 33.823 31.700 0.097 0.000 1.013 227 I N 3.083 123.722 120.570 0.116 0.000 2.478 227 I HA 0.510 4.680 4.170 -0.001 0.000 0.287 227 I C -0.960 175.271 176.117 0.191 0.000 1.042 227 I CA -0.589 60.728 61.300 0.028 0.000 1.067 227 I CB 1.552 39.417 38.000 -0.225 0.000 1.233 227 I HN 0.233 nan 8.210 nan 0.000 0.431 228 F N 4.602 124.601 119.950 0.081 0.000 2.871 228 F HA 0.107 4.634 4.527 -0.001 0.000 0.322 228 F C 0.026 175.992 175.800 0.276 0.000 1.029 228 F CA -0.760 57.388 58.000 0.246 0.000 1.197 228 F CB 0.900 39.954 39.000 0.090 0.000 1.478 228 F HN 0.551 nan 8.300 nan 0.000 0.709 229 T N 2.013 116.635 114.554 0.114 0.000 2.905 229 T HA 0.426 4.776 4.350 -0.001 0.000 0.299 229 T C -0.232 174.533 174.700 0.108 0.000 1.024 229 T CA 0.005 62.162 62.100 0.096 0.000 1.151 229 T CB 1.051 69.911 68.868 -0.013 0.000 0.987 229 T HN 0.790 nan 8.240 nan 0.000 0.535 230 R N 1.726 122.282 120.500 0.093 0.000 2.535 230 R HA 0.356 4.695 4.340 -0.001 0.000 0.274 230 R C -1.950 174.375 176.300 0.043 0.000 1.090 230 R CA -0.680 55.466 56.100 0.077 0.000 0.930 230 R CB 1.434 31.775 30.300 0.069 0.000 1.223 230 R HN 0.739 nan 8.270 nan 0.000 0.441 231 D N 2.845 123.318 120.400 0.123 0.000 2.344 231 D HA 0.250 4.890 4.640 -0.001 0.000 0.253 231 D C -1.154 175.206 176.300 0.100 0.000 1.255 231 D CA 0.508 54.633 54.000 0.209 0.000 0.894 231 D CB 0.748 41.687 40.800 0.231 0.000 1.067 231 D HN 0.471 nan 8.370 nan 0.000 0.492 232 Q N 3.623 123.403 119.800 -0.034 0.000 2.352 232 Q HA 0.294 4.633 4.340 -0.001 0.000 0.270 232 Q C -1.425 174.563 176.000 -0.021 0.000 1.006 232 Q CA -0.659 55.138 55.803 -0.009 0.000 0.880 232 Q CB 0.981 29.695 28.738 -0.040 0.000 1.392 232 Q HN 0.437 nan 8.270 nan 0.000 0.401 233 L N 4.846 126.153 121.223 0.140 0.000 2.559 233 L HA 0.245 4.584 4.340 -0.001 0.000 0.274 233 L C -1.789 175.168 176.870 0.144 0.000 1.205 233 L CA -1.496 53.467 54.840 0.206 0.000 0.907 233 L CB -0.317 41.898 42.059 0.260 0.000 1.153 233 L HN 0.546 nan 8.230 nan 0.000 0.490 234 P HA 0.099 nan 4.420 nan 0.000 0.264 234 P C 0.141 177.589 177.300 0.247 0.000 1.183 234 P CA 0.190 63.395 63.100 0.175 0.000 0.763 234 P CB 0.893 32.735 31.700 0.236 0.000 0.807 235 G N 1.147 110.080 108.800 0.222 0.000 2.749 235 G HA2 0.332 4.291 3.960 -0.001 0.000 0.300 235 G HA3 0.332 4.291 3.960 -0.001 0.000 0.300 235 G C -1.458 173.550 174.900 0.180 0.000 1.352 235 G CA -0.383 44.881 45.100 0.273 0.000 0.789 235 G HN 0.347 nan 8.290 nan 0.000 0.509 236 D N 0.527 121.039 120.400 0.186 0.000 2.563 236 D HA 0.381 5.021 4.640 -0.001 0.000 0.222 236 D C -0.011 176.303 176.300 0.023 0.000 1.145 236 D CA -0.306 53.714 54.000 0.033 0.000 1.001 236 D CB -0.785 40.147 40.800 0.220 0.000 1.049 236 D HN 0.560 nan 8.370 nan 0.000 0.515 237 N N -0.149 118.554 118.700 0.005 0.000 3.227 237 N HA 0.117 4.857 4.740 -0.001 0.000 0.241 237 N C -0.324 175.225 175.510 0.065 0.000 1.480 237 N CA -0.837 52.227 53.050 0.024 0.000 0.886 237 N CB 0.025 38.536 38.487 0.040 0.000 1.406 237 N HN -0.108 nan 8.380 nan 0.000 0.514 238 N N -0.578 118.133 118.700 0.018 0.000 2.313 238 N HA 0.057 4.796 4.740 -0.001 0.000 0.207 238 N C -0.958 174.640 175.510 0.147 0.000 1.141 238 N CA -0.272 52.816 53.050 0.063 0.000 0.830 238 N CB -0.716 37.566 38.487 -0.342 0.000 1.008 238 N HN 0.454 nan 8.380 nan 0.000 0.481 239 N N 2.500 121.264 118.700 0.107 0.000 2.293 239 N HA -0.090 4.649 4.740 -0.001 0.000 0.253 239 N C 0.029 175.610 175.510 0.120 0.000 1.248 239 N CA 0.288 53.391 53.050 0.088 0.000 0.845 239 N CB 0.212 38.729 38.487 0.051 0.000 1.073 239 N HN 0.487 nan 8.380 nan 0.000 0.464 240 N N 2.460 121.225 118.700 0.108 0.000 2.483 240 N HA 0.066 4.806 4.740 -0.001 0.000 0.264 240 N C -0.059 175.468 175.510 0.029 0.000 1.197 240 N CA 0.174 53.290 53.050 0.109 0.000 0.927 240 N CB 1.016 39.591 38.487 0.147 0.000 1.065 240 N HN 0.403 nan 8.380 nan 0.000 0.461 241 L N 0.489 121.705 121.223 -0.013 0.000 2.778 241 L HA 0.322 4.661 4.340 -0.001 0.000 0.246 241 L C 1.145 177.945 176.870 -0.117 0.000 1.820 241 L CA -0.981 53.727 54.840 -0.220 0.000 1.986 241 L CB -0.253 41.622 42.059 -0.308 0.000 2.298 241 L HN 0.311 nan 8.230 nan 0.000 0.580 242 Y N 0.223 120.587 120.300 0.107 0.000 2.293 242 Y HA 0.060 4.609 4.550 -0.001 0.000 0.291 242 Y C 1.382 177.351 175.900 0.114 0.000 1.137 242 Y CA 0.550 58.704 58.100 0.090 0.000 1.202 242 Y CB -0.736 37.757 38.460 0.055 0.000 0.990 242 Y HN 0.399 nan 8.280 nan 0.000 0.537 243 G N -1.721 107.255 108.800 0.294 0.000 2.471 243 G HA2 0.389 4.349 3.960 -0.001 0.000 0.332 243 G HA3 0.389 4.349 3.960 -0.001 0.000 0.332 243 G C -1.731 173.296 174.900 0.212 0.000 1.176 243 G CA -0.616 44.633 45.100 0.250 0.000 0.949 243 G HN 0.335 nan 8.290 nan 0.000 0.488 244 H N 0.567 119.710 119.070 0.123 0.000 2.725 244 H HA 0.417 4.972 4.556 -0.001 0.000 0.283 244 H C -0.672 174.585 175.328 -0.118 0.000 1.110 244 H CA -0.475 55.644 56.048 0.118 0.000 1.289 244 H CB 0.517 30.485 29.762 0.343 0.000 1.400 244 H HN 0.171 nan 8.280 nan 0.000 0.493 245 Q N 3.698 123.357 119.800 -0.235 0.000 2.394 245 Q HA 0.115 4.455 4.340 -0.001 0.000 0.261 245 Q C 0.667 176.480 176.000 -0.312 0.000 1.023 245 Q CA -0.297 55.192 55.803 -0.524 0.000 0.720 245 Q CB 1.771 29.693 28.738 -1.360 0.000 1.241 245 Q HN 0.876 nan 8.270 nan 0.000 0.483 246 T N -1.381 113.139 114.554 -0.057 0.000 3.067 246 T HA 0.070 4.420 4.350 -0.001 0.000 0.261 246 T C 0.697 175.557 174.700 0.267 0.000 1.110 246 T CA -0.075 62.101 62.100 0.127 0.000 1.113 246 T CB -0.055 68.892 68.868 0.132 0.000 0.917 246 T HN 0.299 nan 8.240 nan 0.000 0.499 247 F N 3.896 123.879 119.950 0.056 0.000 2.608 247 F HA 0.419 4.946 4.527 -0.001 0.000 0.380 247 F C -0.416 175.481 175.800 0.161 0.000 1.083 247 F CA -1.979 56.013 58.000 -0.013 0.000 1.266 247 F CB -0.060 38.629 39.000 -0.519 0.000 1.076 247 F HN 0.292 nan 8.300 nan 0.000 0.574 248 F N 6.082 125.647 119.950 -0.642 0.000 2.626 248 F HA 0.677 5.203 4.527 -0.001 0.000 0.311 248 F C -1.333 173.886 175.800 -0.968 0.000 1.088 248 F CA -1.639 55.933 58.000 -0.714 0.000 0.949 248 F CB 1.387 40.172 39.000 -0.359 0.000 1.322 248 F HN 0.567 nan 8.300 nan 0.000 0.461 249 M N 3.217 122.547 119.600 -0.449 0.000 2.591 249 M HA 0.734 5.213 4.480 -0.001 0.000 0.306 249 M C -2.104 174.076 176.300 -0.200 0.000 1.190 249 M CA -0.491 54.548 55.300 -0.434 0.000 0.889 249 M CB 2.225 34.622 32.600 -0.338 0.000 1.728 249 M HN 1.070 nan 8.290 nan 0.000 0.458 250 C N 4.836 123.874 119.300 -0.436 0.000 2.535 250 C HA 0.650 5.110 4.460 -0.001 0.000 0.319 250 C C -0.835 173.988 174.990 -0.278 0.000 1.171 250 C CA -0.800 58.001 59.018 -0.363 0.000 1.394 250 C CB 0.806 28.204 27.740 -0.571 0.000 1.990 250 C HN 0.981 nan 8.230 nan 0.000 0.466 251 I N 5.433 125.898 120.570 -0.175 0.000 2.342 251 I HA 0.333 4.503 4.170 -0.001 0.000 0.291 251 I C 0.918 176.926 176.117 -0.182 0.000 1.010 251 I CA 0.209 61.340 61.300 -0.282 0.000 1.308 251 I CB 1.214 38.841 38.000 -0.622 0.000 1.400 251 I HN 0.842 nan 8.210 nan 0.000 0.488 252 E N 4.249 124.436 120.200 -0.021 0.000 2.170 252 E HA -0.014 4.335 4.350 -0.001 0.000 0.191 252 E C -0.632 176.060 176.600 0.154 0.000 0.981 252 E CA 0.514 56.985 56.400 0.119 0.000 0.830 252 E CB 0.203 30.003 29.700 0.166 0.000 0.775 252 E HN 0.834 nan 8.360 nan 0.000 0.470 253 D N -2.255 118.244 120.400 0.165 0.000 2.893 253 D HA -0.089 4.550 4.640 -0.001 0.000 0.346 253 D C 0.482 177.076 176.300 0.490 0.000 1.402 253 D CA 0.074 54.313 54.000 0.398 0.000 0.815 253 D CB -0.030 40.929 40.800 0.265 0.000 1.403 253 D HN -0.100 nan 8.370 nan 0.000 0.484 254 T N -2.198 112.640 114.554 0.472 0.000 3.072 254 T HA -0.040 4.309 4.350 -0.001 0.000 0.266 254 T C 1.593 176.516 174.700 0.372 0.000 1.127 254 T CA 1.434 63.804 62.100 0.450 0.000 1.107 254 T CB -0.715 68.282 68.868 0.214 0.000 0.910 254 T HN 0.536 nan 8.240 nan 0.000 0.513 255 S N 1.107 116.958 115.700 0.252 0.000 2.469 255 S HA 0.212 4.682 4.470 -0.001 0.000 0.238 255 S C 2.187 176.864 174.600 0.129 0.000 0.998 255 S CA 0.790 59.103 58.200 0.189 0.000 0.957 255 S CB -0.988 62.280 63.200 0.115 0.000 0.764 255 S HN 1.185 nan 8.310 nan 0.000 0.514 256 G N 0.851 109.676 108.800 0.040 0.000 2.217 256 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.246 256 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.246 256 G C 0.024 174.728 174.900 -0.326 0.000 0.990 256 G CA 0.081 44.895 45.100 -0.477 0.000 0.627 256 G HN 0.583 nan 8.290 nan 0.000 0.522 257 K N 1.415 121.745 120.400 -0.116 0.000 2.472 257 K HA 0.426 4.746 4.320 -0.001 0.000 0.280 257 K C -0.007 176.580 176.600 -0.022 0.000 1.028 257 K CA 0.908 57.166 56.287 -0.048 0.000 1.045 257 K CB 0.425 32.938 32.500 0.023 0.000 0.902 257 K HN 0.289 nan 8.250 nan 0.000 0.478 258 S N 1.948 117.649 115.700 0.002 0.000 2.618 258 S HA 0.705 5.174 4.470 -0.001 0.000 0.277 258 S C -1.156 173.554 174.600 0.182 0.000 1.138 258 S CA -0.995 57.219 58.200 0.023 0.000 0.844 258 S CB 1.018 64.136 63.200 -0.136 0.000 1.127 258 S HN 0.561 nan 8.310 nan 0.000 0.474 259 F N -1.434 118.516 119.950 0.000 0.000 2.662 259 F HA 0.948 5.475 4.527 -0.001 0.000 0.312 259 F C -0.209 175.597 175.800 0.011 0.000 1.113 259 F CA -0.933 57.085 58.000 0.031 0.000 0.951 259 F CB 1.030 40.060 39.000 0.050 0.000 1.344 259 F HN 0.752 nan 8.300 nan 0.000 0.462 260 G N 0.528 109.368 108.800 0.067 0.000 2.519 260 G HA2 0.637 4.596 3.960 -0.001 0.000 0.307 260 G HA3 0.637 4.596 3.960 -0.001 0.000 0.307 260 G C -2.229 172.699 174.900 0.047 0.000 1.266 260 G CA -1.212 43.842 45.100 -0.077 0.000 0.970 260 G HN 0.719 nan 8.290 nan 0.000 0.481 261 V N 1.347 121.074 119.914 -0.312 0.000 2.483 261 V HA 0.559 4.678 4.120 -0.001 0.000 0.297 261 V C -1.315 174.821 176.094 0.071 0.000 1.027 261 V CA -0.698 61.513 62.300 -0.148 0.000 0.855 261 V CB 1.335 32.941 31.823 -0.363 0.000 0.995 261 V HN 0.669 nan 8.190 nan 0.000 0.424 262 F N 6.642 126.671 119.950 0.133 0.000 2.477 262 F HA 0.745 5.272 4.527 -0.001 0.000 0.335 262 F C -1.015 174.772 175.800 -0.021 0.000 1.130 262 F CA -1.284 56.801 58.000 0.141 0.000 0.948 262 F CB 1.675 40.796 39.000 0.202 0.000 1.154 262 F HN 0.421 nan 8.300 nan 0.000 0.439 263 L N 7.952 128.722 121.223 -0.754 0.000 2.257 263 L HA 0.499 4.838 4.340 -0.001 0.000 0.290 263 L C -0.530 175.569 176.870 -1.284 0.000 1.044 263 L CA -0.543 53.602 54.840 -1.158 0.000 0.810 263 L CB 1.128 42.559 42.059 -1.047 0.000 1.193 263 L HN 0.773 nan 8.230 nan 0.000 0.425 264 M N 6.505 125.444 119.600 -1.101 0.000 2.664 264 M HA 0.399 4.878 4.480 -0.001 0.000 0.332 264 M C -1.102 175.022 176.300 -0.294 0.000 1.354 264 M CA 0.543 55.455 55.300 -0.647 0.000 1.399 264 M CB -0.825 31.597 32.600 -0.296 0.000 1.224 264 M HN 0.653 nan 8.290 nan 0.000 0.479 265 N N 1.220 119.855 118.700 -0.109 0.000 2.452 265 N HA 0.231 4.971 4.740 -0.001 0.000 0.277 265 N C -0.831 174.816 175.510 0.229 0.000 1.078 265 N CA 0.113 53.183 53.050 0.033 0.000 0.947 265 N CB 1.664 40.117 38.487 -0.057 0.000 1.655 265 N HN 0.532 nan 8.380 nan 0.000 0.490 266 S N 1.274 117.078 115.700 0.173 0.000 2.578 266 S HA 0.250 4.719 4.470 -0.001 0.000 0.231 266 S C 0.288 174.904 174.600 0.026 0.000 0.994 266 S CA -0.532 57.619 58.200 -0.081 0.000 0.956 266 S CB -0.087 62.961 63.200 -0.254 0.000 0.870 266 S HN 0.479 nan 8.310 nan 0.000 0.494 267 N N 2.327 121.132 118.700 0.176 0.000 2.424 267 N HA 0.428 5.168 4.740 -0.001 0.000 0.257 267 N C 0.111 175.786 175.510 0.275 0.000 1.250 267 N CA 0.223 53.350 53.050 0.129 0.000 0.946 267 N CB 0.873 39.382 38.487 0.036 0.000 1.175 267 N HN 0.451 nan 8.380 nan 0.000 0.477 268 A N 1.361 124.175 122.820 -0.009 0.000 2.540 268 A HA 0.315 4.635 4.320 -0.001 0.000 0.239 268 A C 0.434 178.013 177.584 -0.008 0.000 1.061 268 A CA 0.398 52.322 52.037 -0.188 0.000 0.758 268 A CB -0.268 18.098 19.000 -1.057 0.000 0.991 268 A HN 0.761 nan 8.150 nan 0.000 0.502 269 M N 0.369 120.021 119.600 0.087 0.000 2.773 269 M HA 0.699 5.178 4.480 -0.001 0.000 0.270 269 M C -1.337 175.062 176.300 0.165 0.000 1.238 269 M CA -0.602 54.797 55.300 0.164 0.000 0.832 269 M CB 1.597 34.319 32.600 0.202 0.000 1.672 269 M HN 0.509 nan 8.290 nan 0.000 0.480 270 E N 1.072 121.409 120.200 0.229 0.000 2.238 270 E HA 0.704 5.053 4.350 -0.001 0.000 0.267 270 E C -1.573 175.137 176.600 0.184 0.000 0.887 270 E CA -0.775 55.754 56.400 0.215 0.000 0.769 270 E CB 3.137 33.003 29.700 0.277 0.000 1.187 270 E HN 0.575 nan 8.360 nan 0.000 0.416 271 I N 2.979 123.634 120.570 0.142 0.000 2.378 271 I HA 0.337 4.506 4.170 -0.001 0.000 0.291 271 I C -0.949 175.223 176.117 0.091 0.000 0.992 271 I CA -0.728 60.573 61.300 0.002 0.000 1.154 271 I CB 0.912 38.843 38.000 -0.114 0.000 1.315 271 I HN 0.402 nan 8.210 nan 0.000 0.448 272 F N 7.768 127.650 119.950 -0.113 0.000 2.482 272 F HA 0.655 5.181 4.527 -0.001 0.000 0.331 272 F C -0.756 174.943 175.800 -0.169 0.000 1.115 272 F CA -0.630 57.316 58.000 -0.090 0.000 0.955 272 F CB 1.101 40.092 39.000 -0.015 0.000 1.136 272 F HN 0.175 nan 8.300 nan 0.000 0.452 273 I N 6.128 126.210 120.570 -0.814 0.000 2.406 273 I HA 0.362 4.532 4.170 -0.001 0.000 0.290 273 I C -0.932 174.633 176.117 -0.920 0.000 0.999 273 I CA -0.647 60.241 61.300 -0.688 0.000 1.124 273 I CB 1.872 39.551 38.000 -0.535 0.000 1.289 273 I HN 0.623 nan 8.210 nan 0.000 0.441 274 Q N 6.079 125.422 119.800 -0.761 0.000 2.458 274 Q HA 0.668 5.008 4.340 -0.001 0.000 0.282 274 Q C -2.938 172.559 176.000 -0.839 0.000 1.106 274 Q CA -2.345 52.804 55.803 -1.090 0.000 0.814 274 Q CB 2.117 30.082 28.738 -1.288 0.000 1.425 274 Q HN 0.184 nan 8.270 nan 0.000 0.437 275 P HA 0.116 nan 4.420 nan 0.000 0.269 275 P C -0.479 176.606 177.300 -0.358 0.000 1.215 275 P CA 0.517 63.319 63.100 -0.496 0.000 0.780 275 P CB 0.883 32.373 31.700 -0.351 0.000 0.898 276 T N -1.754 112.654 114.554 -0.243 0.000 5.618 276 T HA -0.014 4.335 4.350 -0.001 0.000 0.270 276 T C -2.720 171.898 174.700 -0.136 0.000 2.206 276 T CA -0.101 61.901 62.100 -0.164 0.000 3.782 276 T CB -2.012 66.761 68.868 -0.158 0.000 0.436 276 T HN 0.418 nan 8.240 nan 0.000 0.302 277 P HA 0.787 nan 4.420 nan 0.000 0.287 277 P C -1.205 175.970 177.300 -0.209 0.000 1.270 277 P CA -0.485 62.470 63.100 -0.242 0.000 0.844 277 P CB 1.021 32.556 31.700 -0.275 0.000 1.068 278 I N 0.925 121.343 120.570 -0.254 0.000 2.498 278 I HA 0.301 4.471 4.170 -0.001 0.000 0.290 278 I C -0.434 175.555 176.117 -0.212 0.000 1.032 278 I CA -1.105 60.080 61.300 -0.192 0.000 1.073 278 I CB 2.372 40.285 38.000 -0.145 0.000 1.251 278 I HN -0.027 nan 8.210 nan 0.000 0.426 279 V N 4.896 124.709 119.914 -0.169 0.000 2.398 279 V HA 0.453 4.572 4.120 -0.001 0.000 0.286 279 V C -0.027 176.030 176.094 -0.061 0.000 1.026 279 V CA -0.288 61.893 62.300 -0.198 0.000 0.868 279 V CB 1.834 33.485 31.823 -0.285 0.000 0.982 279 V HN 0.720 nan 8.190 nan 0.000 0.443 280 T N 4.811 119.357 114.554 -0.014 0.000 2.807 280 T HA 0.572 4.921 4.350 -0.001 0.000 0.279 280 T C -0.912 173.819 174.700 0.052 0.000 0.993 280 T CA -0.219 61.947 62.100 0.110 0.000 0.970 280 T CB 0.716 69.695 68.868 0.185 0.000 0.950 280 T HN 0.408 nan 8.240 nan 0.000 0.441 281 Y N 2.290 122.698 120.300 0.179 0.000 2.320 281 Y HA 0.511 5.060 4.550 -0.001 0.000 0.334 281 Y C 1.061 176.993 175.900 0.053 0.000 1.055 281 Y CA -0.819 57.386 58.100 0.175 0.000 1.143 281 Y CB 1.022 39.645 38.460 0.271 0.000 1.193 281 Y HN 0.283 nan 8.280 nan 0.000 0.477 282 R N 2.892 123.489 120.500 0.161 0.000 2.435 282 R HA 0.635 4.975 4.340 -0.001 0.000 0.308 282 R C -1.667 174.667 176.300 0.058 0.000 0.975 282 R CA -0.704 55.355 56.100 -0.068 0.000 0.867 282 R CB 1.668 31.956 30.300 -0.020 0.000 1.171 282 R HN 0.396 nan 8.270 nan 0.000 0.470 283 V N 1.369 121.219 119.914 -0.105 0.000 2.680 283 V HA 0.281 4.400 4.120 -0.001 0.000 0.309 283 V C 1.075 177.197 176.094 0.048 0.000 1.052 283 V CA -0.716 61.605 62.300 0.036 0.000 0.908 283 V CB 2.053 33.883 31.823 0.012 0.000 1.001 283 V HN 0.888 nan 8.190 nan 0.000 0.431 284 T N -0.802 113.819 114.554 0.113 0.000 3.144 284 T HA 0.569 4.918 4.350 -0.001 0.000 0.249 284 T C 0.594 175.415 174.700 0.203 0.000 1.089 284 T CA 0.450 62.651 62.100 0.168 0.000 0.989 284 T CB -0.027 68.876 68.868 0.058 0.000 0.992 284 T HN 1.428 nan 8.240 nan 0.000 0.540 285 G N -1.146 107.731 108.800 0.128 0.000 2.333 285 G HA2 0.527 4.487 3.960 -0.001 0.000 0.288 285 G HA3 0.527 4.487 3.960 -0.001 0.000 0.288 285 G C 0.081 175.054 174.900 0.121 0.000 1.286 285 G CA -0.123 45.083 45.100 0.176 0.000 0.865 285 G HN 1.142 nan 8.290 nan 0.000 0.506 286 G N -0.902 108.016 108.800 0.197 0.000 2.552 286 G HA2 0.257 4.216 3.960 -0.001 0.000 0.265 286 G HA3 0.257 4.216 3.960 -0.001 0.000 0.265 286 G C 0.303 175.247 174.900 0.074 0.000 1.234 286 G CA 1.041 46.273 45.100 0.220 0.000 0.944 286 G HN 2.290 nan 8.290 nan 0.000 0.568 287 I N -2.771 117.817 120.570 0.029 0.000 3.108 287 I HA 0.800 4.970 4.170 -0.001 0.000 0.312 287 I C 0.014 176.110 176.117 -0.036 0.000 1.095 287 I CA -1.556 59.767 61.300 0.039 0.000 1.000 287 I CB 1.930 39.964 38.000 0.056 0.000 1.229 287 I HN 0.559 nan 8.210 nan 0.000 0.454 288 L N 2.385 123.644 121.223 0.061 0.000 2.261 288 L HA 0.404 4.744 4.340 -0.001 0.000 0.289 288 L C -0.985 175.778 176.870 -0.178 0.000 1.059 288 L CA 0.118 54.947 54.840 -0.018 0.000 0.816 288 L CB 0.353 42.594 42.059 0.304 0.000 1.191 288 L HN 0.595 nan 8.230 nan 0.000 0.431 289 D N 4.151 124.255 120.400 -0.494 0.000 2.389 289 D HA 0.336 4.975 4.640 -0.001 0.000 0.256 289 D C -1.176 174.631 176.300 -0.820 0.000 1.239 289 D CA -0.198 53.469 54.000 -0.555 0.000 0.925 289 D CB 0.631 41.195 40.800 -0.393 0.000 1.145 289 D HN 0.038 nan 8.370 nan 0.000 0.542 290 F N 2.419 121.780 119.950 -0.983 0.000 2.469 290 F HA 0.484 5.011 4.527 -0.001 0.000 0.332 290 F C -0.318 174.950 175.800 -0.886 0.000 1.103 290 F CA -0.671 56.775 58.000 -0.922 0.000 0.979 290 F CB 1.426 39.682 39.000 -1.240 0.000 1.137 290 F HN 0.156 nan 8.300 nan 0.000 0.463 291 Y N 3.288 123.475 120.300 -0.189 0.000 2.393 291 Y HA 0.638 5.188 4.550 -0.001 0.000 0.341 291 Y C -0.458 175.436 175.900 -0.011 0.000 0.988 291 Y CA -0.908 57.125 58.100 -0.110 0.000 1.078 291 Y CB 1.609 40.078 38.460 0.016 0.000 1.203 291 Y HN 0.305 nan 8.280 nan 0.000 0.453 292 I N 4.655 125.291 120.570 0.110 0.000 2.406 292 I HA 0.325 4.495 4.170 -0.001 0.000 0.290 292 I C -1.359 174.843 176.117 0.141 0.000 0.999 292 I CA -0.610 60.759 61.300 0.116 0.000 1.124 292 I CB 1.196 39.216 38.000 0.034 0.000 1.289 292 I HN 0.311 nan 8.210 nan 0.000 0.441 293 L N 7.517 128.868 121.223 0.213 0.000 2.325 293 L HA 0.490 4.830 4.340 -0.001 0.000 0.281 293 L C -0.664 176.340 176.870 0.224 0.000 1.004 293 L CA -0.393 54.563 54.840 0.195 0.000 0.823 293 L CB 1.353 43.533 42.059 0.202 0.000 1.236 293 L HN 0.368 nan 8.230 nan 0.000 0.415 294 L N 2.684 124.023 121.223 0.194 0.000 2.289 294 L HA 0.861 5.201 4.340 -0.001 0.000 0.285 294 L C 0.605 177.555 176.870 0.132 0.000 1.049 294 L CA 0.181 55.134 54.840 0.189 0.000 0.804 294 L CB 1.647 43.819 42.059 0.187 0.000 1.195 294 L HN 0.692 nan 8.230 nan 0.000 0.428 295 G N 0.923 109.786 108.800 0.104 0.000 2.574 295 G HA2 0.400 4.360 3.960 -0.001 0.000 0.299 295 G HA3 0.400 4.360 3.960 -0.001 0.000 0.299 295 G C -0.323 174.577 174.900 -0.000 0.000 1.298 295 G CA -0.402 44.721 45.100 0.039 0.000 0.952 295 G HN 0.509 nan 8.290 nan 0.000 0.477 296 D N -0.447 119.935 120.400 -0.030 0.000 2.323 296 D HA 0.102 4.742 4.640 -0.001 0.000 0.209 296 D C 1.440 177.640 176.300 -0.167 0.000 0.973 296 D CA 1.339 55.303 54.000 -0.060 0.000 0.874 296 D CB 0.547 41.329 40.800 -0.031 0.000 0.930 296 D HN 0.572 nan 8.370 nan 0.000 0.521 297 T N -4.193 110.239 114.554 -0.203 0.000 2.864 297 T HA 0.364 4.714 4.350 -0.001 0.000 0.299 297 T C -2.451 172.058 174.700 -0.319 0.000 1.166 297 T CA -1.718 60.152 62.100 -0.384 0.000 1.007 297 T CB 2.381 71.074 68.868 -0.293 0.000 1.219 297 T HN -0.408 nan 8.240 nan 0.000 0.506 298 P HA -0.101 nan 4.420 nan 0.000 0.216 298 P C 1.379 178.390 177.300 -0.482 0.000 1.153 298 P CA 1.188 63.987 63.100 -0.500 0.000 0.858 298 P CB 0.177 31.433 31.700 -0.740 0.000 0.789 299 E N -0.321 119.647 120.200 -0.386 0.000 2.072 299 E HA -0.232 4.118 4.350 -0.001 0.000 0.191 299 E C 2.217 178.791 176.600 -0.043 0.000 0.985 299 E CA 1.174 57.503 56.400 -0.119 0.000 0.801 299 E CB -0.605 29.110 29.700 0.025 0.000 0.750 299 E HN 0.164 nan 8.360 nan 0.000 0.452 300 Q N -0.359 119.405 119.800 -0.061 0.000 2.135 300 Q HA -0.162 4.178 4.340 -0.001 0.000 0.204 300 Q C 2.061 178.066 176.000 0.008 0.000 0.981 300 Q CA 1.788 57.578 55.803 -0.021 0.000 0.856 300 Q CB 0.052 28.774 28.738 -0.027 0.000 0.902 300 Q HN 0.258 nan 8.270 nan 0.000 0.425 301 V N -0.236 119.682 119.914 0.007 0.000 2.295 301 V HA -0.265 3.854 4.120 -0.001 0.000 0.246 301 V C 2.281 178.460 176.094 0.142 0.000 1.049 301 V CA 1.618 63.970 62.300 0.086 0.000 1.024 301 V CB -0.532 31.341 31.823 0.083 0.000 0.648 301 V HN 0.267 nan 8.190 nan 0.000 0.447 302 V N -0.429 119.567 119.914 0.138 0.000 2.287 302 V HA -0.345 3.775 4.120 -0.001 0.000 0.248 302 V C 2.486 178.614 176.094 0.056 0.000 1.053 302 V CA 2.181 64.571 62.300 0.150 0.000 1.027 302 V CB -0.777 31.165 31.823 0.197 0.000 0.646 302 V HN 0.590 nan 8.190 nan 0.000 0.447 303 Q N -0.807 119.012 119.800 0.031 0.000 2.096 303 Q HA -0.255 4.084 4.340 -0.001 0.000 0.204 303 Q C 2.457 178.429 176.000 -0.047 0.000 0.982 303 Q CA 1.568 57.364 55.803 -0.012 0.000 0.850 303 Q CB -0.229 28.512 28.738 0.006 0.000 0.901 303 Q HN 0.592 nan 8.270 nan 0.000 0.422 304 Q N -0.406 119.385 119.800 -0.016 0.000 2.124 304 Q HA -0.184 4.156 4.340 -0.001 0.000 0.202 304 Q C 1.876 177.809 176.000 -0.111 0.000 0.977 304 Q CA 1.245 57.029 55.803 -0.032 0.000 0.850 304 Q CB -0.405 28.350 28.738 0.028 0.000 0.901 304 Q HN 0.481 nan 8.270 nan 0.000 0.429 305 Y N 1.770 121.891 120.300 -0.298 0.000 2.128 305 Y HA -0.242 4.308 4.550 -0.001 0.000 0.284 305 Y C 2.173 177.769 175.900 -0.506 0.000 1.154 305 Y CA 1.949 59.711 58.100 -0.562 0.000 1.149 305 Y CB -0.177 37.663 38.460 -1.034 0.000 0.976 305 Y HN 0.138 nan 8.280 nan 0.000 0.505 306 Q N -0.389 119.126 119.800 -0.475 0.000 2.167 306 Q HA -0.211 4.129 4.340 -0.001 0.000 0.202 306 Q C 2.255 177.999 176.000 -0.427 0.000 0.970 306 Q CA 1.520 57.018 55.803 -0.508 0.000 0.855 306 Q CB -0.125 28.441 28.738 -0.286 0.000 0.911 306 Q HN 0.632 nan 8.270 nan 0.000 0.438 307 Q N 0.063 119.688 119.800 -0.291 0.000 2.170 307 Q HA -0.188 4.152 4.340 -0.001 0.000 0.203 307 Q C 2.002 177.893 176.000 -0.183 0.000 0.976 307 Q CA 1.009 56.694 55.803 -0.196 0.000 0.858 307 Q CB -0.051 28.617 28.738 -0.117 0.000 0.907 307 Q HN 0.274 nan 8.270 nan 0.000 0.433 308 L N -0.034 120.996 121.223 -0.323 0.000 2.007 308 L HA -0.102 4.238 4.340 -0.001 0.000 0.205 308 L C 2.084 178.739 176.870 -0.357 0.000 1.073 308 L CA 1.542 56.159 54.840 -0.371 0.000 0.744 308 L CB -0.439 41.282 42.059 -0.563 0.000 0.898 308 L HN 0.160 nan 8.230 nan 0.000 0.435 309 V N -2.295 117.225 119.914 -0.657 0.000 3.235 309 V HA 0.545 4.664 4.120 -0.001 0.000 0.259 309 V C 0.877 176.720 176.094 -0.418 0.000 1.133 309 V CA 0.298 62.245 62.300 -0.588 0.000 1.128 309 V CB -1.002 30.229 31.823 -0.986 0.000 0.757 309 V HN 0.698 nan 8.190 nan 0.000 0.469 310 G N 0.151 108.522 108.800 -0.715 0.000 2.957 310 G HA2 0.080 4.040 3.960 -0.001 0.000 0.636 310 G HA3 0.080 4.040 3.960 -0.001 0.000 0.636 310 G C -1.026 173.472 174.900 -0.670 0.000 1.401 310 G CA -0.639 43.777 45.100 -1.141 0.000 0.941 310 G HN 0.376 nan 8.290 nan 0.000 0.610 311 L N 3.719 124.588 121.223 -0.590 0.000 2.439 311 L HA 0.391 4.731 4.340 -0.001 0.000 0.269 311 L C -1.179 175.507 176.870 -0.305 0.000 1.179 311 L CA -1.552 53.047 54.840 -0.401 0.000 0.828 311 L CB 0.831 42.639 42.059 -0.419 0.000 1.106 311 L HN 0.413 nan 8.230 nan 0.000 0.467 312 P HA 0.109 nan 4.420 nan 0.000 0.274 312 P C -0.869 176.437 177.300 0.010 0.000 1.231 312 P CA -0.525 62.518 63.100 -0.095 0.000 0.790 312 P CB 0.741 32.425 31.700 -0.027 0.000 0.951 313 A N 2.725 125.517 122.820 -0.047 0.000 2.498 313 A HA 0.258 4.578 4.320 -0.001 0.000 0.239 313 A C 0.453 177.959 177.584 -0.129 0.000 1.068 313 A CA -0.119 51.872 52.037 -0.076 0.000 0.766 313 A CB -0.473 18.458 19.000 -0.115 0.000 1.003 313 A HN 0.583 nan 8.150 nan 0.000 0.497 314 M N 4.806 124.199 119.600 -0.345 0.000 2.162 314 M HA 0.342 4.821 4.480 -0.001 0.000 0.356 314 M C -2.074 174.052 176.300 -0.291 0.000 1.303 314 M CA -2.140 52.922 55.300 -0.396 0.000 1.116 314 M CB 0.613 32.798 32.600 -0.691 0.000 1.632 314 M HN 0.468 nan 8.290 nan 0.000 0.469 315 P HA 0.305 nan 4.420 nan 0.000 0.276 315 P C -1.302 175.859 177.300 -0.233 0.000 1.244 315 P CA -0.537 62.357 63.100 -0.344 0.000 0.801 315 P CB 0.539 31.887 31.700 -0.587 0.000 1.006 316 A N 1.795 124.425 122.820 -0.318 0.000 2.445 316 A HA -0.003 4.316 4.320 -0.001 0.000 0.242 316 A C 1.092 178.511 177.584 -0.275 0.000 1.075 316 A CA -0.182 51.686 52.037 -0.282 0.000 0.777 316 A CB -0.633 18.050 19.000 -0.529 0.000 1.013 316 A HN 0.691 nan 8.150 nan 0.000 0.493 317 Y N 1.460 121.600 120.300 -0.266 0.000 2.207 317 Y HA -0.255 4.295 4.550 -0.001 0.000 0.287 317 Y C 2.110 177.871 175.900 -0.233 0.000 1.156 317 Y CA 2.794 60.663 58.100 -0.384 0.000 1.182 317 Y CB -0.083 38.020 38.460 -0.595 0.000 0.979 317 Y HN 0.880 nan 8.280 nan 0.000 0.521 318 W N 0.023 121.303 121.300 -0.032 0.000 2.465 318 W HA -0.121 4.538 4.660 -0.001 0.000 0.268 318 W C 0.897 177.308 176.519 -0.180 0.000 1.242 318 W CA 0.835 58.131 57.345 -0.082 0.000 1.248 318 W CB -1.121 28.303 29.460 -0.061 0.000 1.118 318 W HN 0.115 nan 8.180 nan 0.000 0.587 319 N N 1.925 120.151 118.700 -0.791 0.000 2.430 319 N HA -0.123 4.616 4.740 -0.001 0.000 0.186 319 N C 1.688 176.975 175.510 -0.372 0.000 1.032 319 N CA 1.466 54.040 53.050 -0.794 0.000 0.893 319 N CB -0.718 37.349 38.487 -0.699 0.000 0.957 319 N HN 0.354 nan 8.380 nan 0.000 0.442 320 L N -0.849 120.184 121.223 -0.318 0.000 2.585 320 L HA 0.269 4.608 4.340 -0.001 0.000 0.226 320 L C 1.252 178.006 176.870 -0.194 0.000 1.113 320 L CA -0.353 54.343 54.840 -0.240 0.000 0.876 320 L CB -0.259 41.586 42.059 -0.358 0.000 1.072 320 L HN -0.009 nan 8.230 nan 0.000 0.468 321 G N -0.240 108.466 108.800 -0.156 0.000 2.527 321 G HA2 0.137 4.097 3.960 -0.001 0.000 0.248 321 G HA3 0.137 4.097 3.960 -0.001 0.000 0.248 321 G C -0.717 174.301 174.900 0.196 0.000 1.231 321 G CA -0.384 44.693 45.100 -0.039 0.000 0.838 321 G HN -0.075 nan 8.290 nan 0.000 0.570 322 F N 0.581 120.701 119.950 0.284 0.000 2.563 322 F HA 0.217 4.744 4.527 -0.001 0.000 0.363 322 F C 0.761 176.679 175.800 0.197 0.000 1.123 322 F CA 0.161 58.284 58.000 0.204 0.000 1.307 322 F CB 0.669 39.833 39.000 0.274 0.000 1.115 322 F HN 0.364 nan 8.300 nan 0.000 0.592 323 Q N 6.261 125.653 119.800 -0.679 0.000 2.337 323 Q HA 0.524 4.864 4.340 -0.001 0.000 0.266 323 Q C -1.293 174.266 176.000 -0.736 0.000 1.023 323 Q CA -0.955 54.560 55.803 -0.480 0.000 0.829 323 Q CB 2.687 31.215 28.738 -0.350 0.000 1.306 323 Q HN 0.620 nan 8.270 nan 0.000 0.449 324 L N 1.288 122.345 121.223 -0.276 0.000 2.322 324 L HA 0.650 4.989 4.340 -0.001 0.000 0.281 324 L C -0.289 176.641 176.870 0.100 0.000 1.014 324 L CA -0.436 54.305 54.840 -0.164 0.000 0.815 324 L CB 1.912 43.880 42.059 -0.153 0.000 1.247 324 L HN 0.576 nan 8.230 nan 0.000 0.421 325 S N 3.098 118.904 115.700 0.178 0.000 2.565 325 S HA 0.840 5.310 4.470 -0.001 0.000 0.269 325 S C -1.503 173.291 174.600 0.323 0.000 1.153 325 S CA -0.751 57.667 58.200 0.363 0.000 0.835 325 S CB 2.000 65.327 63.200 0.212 0.000 1.122 325 S HN 0.765 nan 8.310 nan 0.000 0.462 326 R N 1.148 121.767 120.500 0.198 0.000 2.664 326 R HA 0.415 4.754 4.340 -0.001 0.000 0.266 326 R C -2.141 174.213 176.300 0.090 0.000 1.046 326 R CA -0.860 55.172 56.100 -0.114 0.000 0.885 326 R CB 0.006 29.993 30.300 -0.521 0.000 1.254 326 R HN 0.528 nan 8.270 nan 0.000 0.465 327 W N 4.809 126.073 121.300 -0.059 0.000 2.446 327 W HA 0.301 4.961 4.660 -0.001 0.000 0.316 327 W C -0.259 176.187 176.519 -0.122 0.000 1.376 327 W CA 0.073 57.432 57.345 0.024 0.000 1.300 327 W CB -0.102 29.422 29.460 0.107 0.000 1.351 327 W HN 0.879 nan 8.180 nan 0.000 0.530 328 N N 5.244 124.043 118.700 0.166 0.000 2.729 328 N HA -0.270 4.469 4.740 -0.001 0.000 0.259 328 N C 0.050 175.542 175.510 -0.031 0.000 1.119 328 N CA 0.635 53.675 53.050 -0.016 0.000 0.679 328 N CB -1.713 36.569 38.487 -0.341 0.000 0.892 328 N HN 0.518 nan 8.380 nan 0.000 0.558 329 Y N 1.059 121.465 120.300 0.177 0.000 2.352 329 Y HA -0.116 4.434 4.550 -0.001 0.000 0.292 329 Y C 1.925 177.880 175.900 0.092 0.000 1.136 329 Y CA 1.846 60.040 58.100 0.156 0.000 1.227 329 Y CB 0.126 38.705 38.460 0.198 0.000 0.991 329 Y HN 0.474 nan 8.280 nan 0.000 0.545 330 K N -1.712 118.860 120.400 0.286 0.000 3.159 330 K HA -0.172 4.147 4.320 -0.001 0.000 0.417 330 K C 0.226 176.906 176.600 0.133 0.000 0.448 330 K CA 0.980 57.370 56.287 0.170 0.000 1.840 330 K CB -1.554 30.976 32.500 0.051 0.000 0.822 330 K HN 0.341 nan 8.250 nan 0.000 0.428 331 S N -0.626 115.014 115.700 -0.099 0.000 2.596 331 S HA 0.507 4.977 4.470 -0.001 0.000 0.270 331 S C 0.237 174.268 174.600 -0.949 0.000 1.155 331 S CA -0.736 57.125 58.200 -0.564 0.000 0.827 331 S CB 2.116 65.143 63.200 -0.287 0.000 1.130 331 S HN 0.107 nan 8.310 nan 0.000 0.467 332 L N 1.191 121.608 121.223 -1.344 0.000 2.187 332 L HA -0.002 4.338 4.340 -0.001 0.000 0.213 332 L C 1.588 178.106 176.870 -0.586 0.000 1.100 332 L CA 2.072 56.328 54.840 -0.972 0.000 0.765 332 L CB -0.982 40.658 42.059 -0.697 0.000 0.904 332 L HN 0.810 nan 8.230 nan 0.000 0.437 333 D N -1.001 119.154 120.400 -0.408 0.000 2.117 333 D HA -0.156 4.484 4.640 -0.001 0.000 0.197 333 D C 2.298 178.467 176.300 -0.219 0.000 0.987 333 D CA 1.616 55.463 54.000 -0.255 0.000 0.829 333 D CB -0.157 40.539 40.800 -0.173 0.000 0.961 333 D HN 0.281 nan 8.370 nan 0.000 0.460 334 V N 0.571 120.364 119.914 -0.202 0.000 2.379 334 V HA -0.176 3.944 4.120 -0.001 0.000 0.245 334 V C 2.676 178.640 176.094 -0.217 0.000 1.044 334 V CA 0.877 63.111 62.300 -0.110 0.000 1.036 334 V CB -0.486 31.372 31.823 0.058 0.000 0.664 334 V HN 0.045 nan 8.190 nan 0.000 0.453 335 V N -0.057 119.616 119.914 -0.402 0.000 2.332 335 V HA -0.312 3.808 4.120 -0.001 0.000 0.248 335 V C 2.453 178.287 176.094 -0.433 0.000 1.055 335 V CA 2.127 64.031 62.300 -0.661 0.000 1.038 335 V CB -0.789 30.610 31.823 -0.707 0.000 0.651 335 V HN 0.528 nan 8.190 nan 0.000 0.450 336 K N -0.085 120.077 120.400 -0.396 0.000 2.057 336 K HA -0.240 4.080 4.320 -0.001 0.000 0.207 336 K C 2.239 178.786 176.600 -0.089 0.000 1.049 336 K CA 1.761 57.943 56.287 -0.175 0.000 0.931 336 K CB -0.170 32.228 32.500 -0.169 0.000 0.714 336 K HN 0.467 nan 8.250 nan 0.000 0.440 337 E N 0.931 121.060 120.200 -0.120 0.000 2.150 337 E HA -0.118 4.232 4.350 -0.001 0.000 0.193 337 E C 1.693 178.245 176.600 -0.079 0.000 0.985 337 E CA 0.922 57.273 56.400 -0.082 0.000 0.814 337 E CB -0.022 29.629 29.700 -0.081 0.000 0.752 337 E HN -0.004 nan 8.360 nan 0.000 0.466 338 V N -0.134 119.709 119.914 -0.117 0.000 2.307 338 V HA -0.218 3.901 4.120 -0.001 0.000 0.245 338 V C 2.387 178.454 176.094 -0.045 0.000 1.045 338 V CA 1.524 63.766 62.300 -0.097 0.000 1.024 338 V CB -0.390 31.380 31.823 -0.088 0.000 0.651 338 V HN 0.204 nan 8.190 nan 0.000 0.449 339 V N 1.399 121.316 119.914 0.006 0.000 2.295 339 V HA -0.293 3.826 4.120 -0.001 0.000 0.246 339 V C 2.686 178.867 176.094 0.145 0.000 1.049 339 V CA 2.633 65.034 62.300 0.168 0.000 1.024 339 V CB -0.912 31.055 31.823 0.241 0.000 0.648 339 V HN 0.729 nan 8.190 nan 0.000 0.447 340 R N 1.842 122.376 120.500 0.056 0.000 2.092 340 R HA -0.182 4.158 4.340 -0.001 0.000 0.231 340 R C 2.307 178.631 176.300 0.040 0.000 1.119 340 R CA 1.800 57.921 56.100 0.034 0.000 0.970 340 R CB -0.698 29.605 30.300 0.004 0.000 0.864 340 R HN 0.626 nan 8.270 nan 0.000 0.440 341 R N 0.414 120.926 120.500 0.021 0.000 2.115 341 R HA 0.066 4.406 4.340 -0.001 0.000 0.226 341 R C 1.607 177.926 176.300 0.032 0.000 1.100 341 R CA 1.406 57.516 56.100 0.017 0.000 0.980 341 R CB -0.582 29.719 30.300 0.002 0.000 0.875 341 R HN 0.265 nan 8.270 nan 0.000 0.445 342 N N 1.022 119.735 118.700 0.023 0.000 2.171 342 N HA -0.063 4.677 4.740 -0.001 0.000 0.184 342 N C 1.782 177.399 175.510 0.179 0.000 1.021 342 N CA 1.011 54.071 53.050 0.016 0.000 0.854 342 N CB -0.117 38.213 38.487 -0.261 0.000 0.994 342 N HN 0.319 nan 8.380 nan 0.000 0.426 343 R N 1.229 121.896 120.500 0.279 0.000 2.103 343 R HA -0.087 4.253 4.340 -0.001 0.000 0.242 343 R C 1.969 178.341 176.300 0.120 0.000 1.142 343 R CA 1.045 57.282 56.100 0.229 0.000 0.960 343 R CB -0.130 30.246 30.300 0.126 0.000 0.858 343 R HN 0.338 nan 8.270 nan 0.000 0.439 344 E N 0.033 120.283 120.200 0.082 0.000 2.208 344 E HA -0.088 4.262 4.350 -0.001 0.000 0.193 344 E C 1.406 178.033 176.600 0.045 0.000 0.988 344 E CA 0.826 57.257 56.400 0.051 0.000 0.828 344 E CB 0.131 29.852 29.700 0.034 0.000 0.763 344 E HN 0.330 nan 8.360 nan 0.000 0.478 345 A N -0.107 122.744 122.820 0.051 0.000 2.238 345 A HA 0.194 4.513 4.320 -0.001 0.000 0.208 345 A C 1.576 179.184 177.584 0.039 0.000 1.177 345 A CA 0.922 52.982 52.037 0.039 0.000 0.804 345 A CB -0.296 18.727 19.000 0.039 0.000 0.823 345 A HN 0.334 nan 8.150 nan 0.000 0.482 346 G N -0.468 108.366 108.800 0.057 0.000 2.168 346 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.257 346 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.257 346 G C 0.103 175.029 174.900 0.044 0.000 0.997 346 G CA 0.217 45.345 45.100 0.045 0.000 0.708 346 G HN 0.374 nan 8.290 nan 0.000 0.520 347 I N 1.526 122.147 120.570 0.085 0.000 2.587 347 I HA 0.138 4.308 4.170 -0.001 0.000 0.284 347 I C -1.734 174.498 176.117 0.192 0.000 1.134 347 I CA -2.031 59.321 61.300 0.086 0.000 1.410 347 I CB 0.233 38.278 38.000 0.075 0.000 1.392 347 I HN -0.085 nan 8.210 nan 0.000 0.545 348 P HA 0.170 nan 4.420 nan 0.000 0.267 348 P C -0.884 176.590 177.300 0.291 0.000 1.209 348 P CA 0.281 63.292 63.100 -0.149 0.000 0.763 348 P CB 0.057 31.275 31.700 -0.802 0.000 0.816 349 F N 0.127 120.155 119.950 0.130 0.000 2.639 349 F HA 0.428 4.955 4.527 -0.001 0.000 0.320 349 F C -0.196 175.746 175.800 0.237 0.000 1.128 349 F CA -0.891 57.296 58.000 0.311 0.000 1.037 349 F CB 1.066 40.256 39.000 0.316 0.000 1.288 349 F HN -0.001 nan 8.300 nan 0.000 0.463 350 D N 1.243 121.785 120.400 0.238 0.000 2.240 350 D HA 0.090 4.730 4.640 -0.001 0.000 0.206 350 D C 0.539 176.831 176.300 -0.013 0.000 0.963 350 D CA 1.884 55.937 54.000 0.088 0.000 0.863 350 D CB 0.540 41.473 40.800 0.223 0.000 0.973 350 D HN 0.719 nan 8.370 nan 0.000 0.501 351 T N -1.714 112.902 114.554 0.104 0.000 2.886 351 T HA 0.569 4.919 4.350 -0.001 0.000 0.292 351 T C -0.698 174.142 174.700 0.234 0.000 1.012 351 T CA -1.049 61.124 62.100 0.120 0.000 0.982 351 T CB 2.390 71.345 68.868 0.146 0.000 1.018 351 T HN -0.268 nan 8.240 nan 0.000 0.451 352 Q N 1.827 121.779 119.800 0.253 0.000 2.256 352 Q HA 0.654 4.993 4.340 -0.001 0.000 0.257 352 Q C -1.337 174.884 176.000 0.368 0.000 0.936 352 Q CA -0.633 55.375 55.803 0.342 0.000 0.903 352 Q CB 1.527 30.493 28.738 0.379 0.000 1.263 352 Q HN 0.745 nan 8.270 nan 0.000 0.440 353 V N 2.888 123.008 119.914 0.342 0.000 2.628 353 V HA 0.704 4.823 4.120 -0.001 0.000 0.306 353 V C -0.409 175.963 176.094 0.463 0.000 1.045 353 V CA -0.646 61.850 62.300 0.328 0.000 0.905 353 V CB 1.971 33.924 31.823 0.216 0.000 0.997 353 V HN 0.963 nan 8.190 nan 0.000 0.436 354 T N -0.820 113.976 114.554 0.403 0.000 2.812 354 T HA 0.479 4.828 4.350 -0.001 0.000 0.282 354 T C -0.496 174.463 174.700 0.432 0.000 0.990 354 T CA -0.675 61.711 62.100 0.476 0.000 0.960 354 T CB 1.760 70.888 68.868 0.433 0.000 0.948 354 T HN 0.572 nan 8.240 nan 0.000 0.438 355 D N 1.270 121.947 120.400 0.461 0.000 2.376 355 D HA 0.167 4.806 4.640 -0.001 0.000 0.268 355 D C 1.912 178.294 176.300 0.135 0.000 1.252 355 D CA -0.874 53.274 54.000 0.246 0.000 1.041 355 D CB 0.637 41.621 40.800 0.307 0.000 1.109 355 D HN 0.726 nan 8.370 nan 0.000 0.552 356 I N -1.240 119.248 120.570 -0.136 0.000 2.850 356 I HA -0.157 4.013 4.170 -0.001 0.000 0.266 356 I C 1.083 177.038 176.117 -0.270 0.000 1.257 356 I CA 0.916 62.029 61.300 -0.313 0.000 1.465 356 I CB -0.484 37.228 38.000 -0.481 0.000 1.091 356 I HN 0.165 nan 8.210 nan 0.000 0.467 357 D N 1.587 121.951 120.400 -0.060 0.000 2.348 357 D HA -0.246 4.393 4.640 -0.001 0.000 0.216 357 D C 1.980 178.070 176.300 -0.350 0.000 0.970 357 D CA 0.878 54.858 54.000 -0.034 0.000 0.889 357 D CB -0.692 40.232 40.800 0.208 0.000 0.912 357 D HN 0.746 nan 8.370 nan 0.000 0.524 358 Y N 0.556 120.488 120.300 -0.612 0.000 2.373 358 Y HA 0.191 4.741 4.550 -0.001 0.000 0.293 358 Y C 1.275 176.930 175.900 -0.408 0.000 1.129 358 Y CA -0.487 56.933 58.100 -1.134 0.000 1.226 358 Y CB -0.533 37.539 38.460 -0.648 0.000 1.000 358 Y HN -0.235 nan 8.280 nan 0.000 0.549 359 M N 1.930 120.991 119.600 -0.899 0.000 2.228 359 M HA 0.044 4.524 4.480 -0.001 0.000 0.326 359 M C 0.238 176.387 176.300 -0.251 0.000 1.122 359 M CA 0.054 54.990 55.300 -0.608 0.000 1.161 359 M CB 0.593 32.770 32.600 -0.706 0.000 1.437 359 M HN 0.212 nan 8.290 nan 0.000 0.465 360 E N 2.103 122.208 120.200 -0.159 0.000 2.104 360 E HA -0.041 4.309 4.350 -0.001 0.000 0.278 360 E C -0.813 175.697 176.600 -0.149 0.000 1.127 360 E CA -0.159 56.174 56.400 -0.112 0.000 0.897 360 E CB 0.146 29.788 29.700 -0.098 0.000 1.043 360 E HN 0.589 nan 8.360 nan 0.000 0.410 361 D N 4.808 125.144 120.400 -0.106 0.000 2.772 361 D HA -0.218 4.421 4.640 -0.001 0.000 0.233 361 D C -0.423 175.813 176.300 -0.107 0.000 1.143 361 D CA 1.274 55.220 54.000 -0.090 0.000 0.700 361 D CB -0.731 40.011 40.800 -0.096 0.000 1.076 361 D HN 0.827 nan 8.370 nan 0.000 0.430 362 K N -2.115 118.202 120.400 -0.140 0.000 3.160 362 K HA -0.255 4.065 4.320 -0.001 0.000 0.280 362 K C -0.023 176.481 176.600 -0.159 0.000 1.154 362 K CA 1.011 57.214 56.287 -0.140 0.000 0.822 362 K CB -1.330 31.180 32.500 0.017 0.000 1.239 362 K HN 0.368 nan 8.250 nan 0.000 0.489 363 K N 1.693 121.949 120.400 -0.239 0.000 2.211 363 K HA 0.174 4.494 4.320 -0.001 0.000 0.275 363 K C -0.173 176.288 176.600 -0.232 0.000 1.024 363 K CA -0.872 55.260 56.287 -0.258 0.000 0.887 363 K CB 0.945 33.130 32.500 -0.525 0.000 1.084 363 K HN -0.005 nan 8.250 nan 0.000 0.463 364 D N 1.801 122.119 120.400 -0.136 0.000 2.506 364 D HA -0.065 4.575 4.640 -0.001 0.000 0.234 364 D C 0.168 176.284 176.300 -0.307 0.000 1.143 364 D CA 0.716 54.468 54.000 -0.413 0.000 0.871 364 D CB 0.088 40.630 40.800 -0.430 0.000 1.190 364 D HN 0.448 nan 8.370 nan 0.000 0.459 365 F N -1.597 118.038 119.950 -0.526 0.000 3.043 365 F HA -0.248 4.279 4.527 -0.001 0.000 0.290 365 F C 0.697 176.205 175.800 -0.487 0.000 0.844 365 F CA 0.704 58.176 58.000 -0.880 0.000 1.184 365 F CB -2.592 36.201 39.000 -0.346 0.000 1.246 365 F HN 0.303 nan 8.300 nan 0.000 0.536 366 T N -2.380 112.010 114.554 -0.273 0.000 2.883 366 T HA 0.774 5.123 4.350 -0.001 0.000 0.301 366 T C -0.869 173.990 174.700 0.264 0.000 1.158 366 T CA -0.667 61.488 62.100 0.091 0.000 1.007 366 T CB 3.053 71.908 68.868 -0.022 0.000 1.186 366 T HN 0.576 nan 8.240 nan 0.000 0.499 367 Y N -0.865 119.603 120.300 0.280 0.000 2.545 367 Y HA 0.704 5.254 4.550 -0.001 0.000 0.348 367 Y C -0.607 175.380 175.900 0.145 0.000 1.002 367 Y CA -1.385 56.862 58.100 0.244 0.000 1.039 367 Y CB 1.273 39.999 38.460 0.444 0.000 1.271 367 Y HN 0.608 nan 8.280 nan 0.000 0.467 368 D N 2.717 123.256 120.400 0.232 0.000 2.346 368 D HA 0.008 4.647 4.640 -0.001 0.000 0.267 368 D C 0.281 176.728 176.300 0.245 0.000 1.320 368 D CA 0.472 54.578 54.000 0.176 0.000 0.951 368 D CB 0.869 41.813 40.800 0.241 0.000 1.079 368 D HN 0.811 nan 8.370 nan 0.000 0.509 369 Q N 2.087 121.899 119.800 0.019 0.000 2.482 369 Q HA -0.012 4.328 4.340 -0.001 0.000 0.209 369 Q C 1.386 177.451 176.000 0.109 0.000 0.961 369 Q CA 0.338 56.152 55.803 0.018 0.000 0.945 369 Q CB 0.810 29.459 28.738 -0.148 0.000 1.012 369 Q HN 0.419 nan 8.270 nan 0.000 0.515 370 V N -0.057 119.926 119.914 0.115 0.000 2.502 370 V HA 0.001 4.120 4.120 -0.001 0.000 0.234 370 V C 2.058 178.220 176.094 0.113 0.000 1.072 370 V CA 1.449 63.805 62.300 0.094 0.000 1.094 370 V CB -0.709 31.151 31.823 0.062 0.000 0.761 370 V HN 0.251 nan 8.190 nan 0.000 0.489 371 A N -1.095 121.822 122.820 0.162 0.000 2.015 371 A HA 0.008 4.328 4.320 -0.001 0.000 0.219 371 A C 1.421 179.016 177.584 0.018 0.000 1.163 371 A CA 1.438 53.549 52.037 0.122 0.000 0.646 371 A CB -0.397 18.741 19.000 0.230 0.000 0.806 371 A HN 0.508 nan 8.150 nan 0.000 0.448 372 F N -0.171 119.859 119.950 0.134 0.000 2.879 372 F HA 0.267 4.794 4.527 -0.001 0.000 0.354 372 F C 0.263 176.195 175.800 0.221 0.000 1.291 372 F CA -1.330 56.762 58.000 0.153 0.000 1.238 372 F CB -0.199 38.948 39.000 0.245 0.000 1.005 372 F HN 0.148 nan 8.300 nan 0.000 0.508 373 N N 0.942 119.789 118.700 0.246 0.000 2.454 373 N HA 0.335 5.074 4.740 -0.001 0.000 0.260 373 N C 1.119 176.714 175.510 0.140 0.000 1.218 373 N CA 1.477 54.662 53.050 0.224 0.000 0.904 373 N CB 0.693 39.253 38.487 0.122 0.000 1.065 373 N HN 0.534 nan 8.380 nan 0.000 0.462 374 G N 2.554 111.454 108.800 0.167 0.000 2.160 374 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.244 374 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.244 374 G C 0.651 175.561 174.900 0.017 0.000 1.022 374 G CA 0.340 45.485 45.100 0.075 0.000 0.741 374 G HN 0.626 nan 8.290 nan 0.000 0.508 375 L N 0.759 121.956 121.223 -0.043 0.000 2.012 375 L HA 0.088 4.428 4.340 -0.001 0.000 0.210 375 L C 0.469 177.236 176.870 -0.172 0.000 1.073 375 L CA 3.110 57.862 54.840 -0.147 0.000 0.748 375 L CB -1.042 40.791 42.059 -0.376 0.000 0.891 375 L HN 0.212 nan 8.230 nan 0.000 0.431 376 P HA -0.190 nan 4.420 nan 0.000 0.216 376 P C 1.389 178.609 177.300 -0.133 0.000 1.150 376 P CA 1.498 64.490 63.100 -0.179 0.000 0.843 376 P CB 0.009 31.638 31.700 -0.119 0.000 0.787 377 Q N -2.234 117.523 119.800 -0.071 0.000 2.172 377 Q HA -0.081 4.258 4.340 -0.001 0.000 0.200 377 Q C 1.859 177.819 176.000 -0.068 0.000 0.964 377 Q CA 0.927 56.696 55.803 -0.056 0.000 0.855 377 Q CB -0.890 27.839 28.738 -0.015 0.000 0.918 377 Q HN 0.239 nan 8.270 nan 0.000 0.444 378 F N 0.048 119.876 119.950 -0.203 0.000 2.146 378 F HA -0.165 4.361 4.527 -0.001 0.000 0.298 378 F C 1.656 177.251 175.800 -0.342 0.000 1.096 378 F CA 0.907 58.760 58.000 -0.245 0.000 1.275 378 F CB -0.164 38.683 39.000 -0.255 0.000 1.008 378 F HN -0.159 nan 8.300 nan 0.000 0.480 379 V N 0.438 120.024 119.914 -0.548 0.000 2.343 379 V HA -0.305 3.814 4.120 -0.001 0.000 0.247 379 V C 2.404 178.036 176.094 -0.770 0.000 1.051 379 V CA 2.022 63.853 62.300 -0.782 0.000 1.036 379 V CB -0.920 30.573 31.823 -0.550 0.000 0.654 379 V HN 0.353 nan 8.190 nan 0.000 0.451 380 Q N 0.837 120.378 119.800 -0.432 0.000 2.061 380 Q HA -0.270 4.070 4.340 -0.001 0.000 0.204 380 Q C 1.853 177.711 176.000 -0.236 0.000 0.984 380 Q CA 2.512 58.163 55.803 -0.254 0.000 0.846 380 Q CB -0.685 27.974 28.738 -0.131 0.000 0.902 380 Q HN 0.736 nan 8.270 nan 0.000 0.421 381 D N -1.258 118.975 120.400 -0.278 0.000 2.178 381 D HA -0.119 4.520 4.640 -0.001 0.000 0.201 381 D C 1.765 177.944 176.300 -0.201 0.000 0.980 381 D CA 0.996 54.886 54.000 -0.183 0.000 0.842 381 D CB -0.040 40.648 40.800 -0.186 0.000 0.948 381 D HN 0.329 nan 8.370 nan 0.000 0.472 382 L N -0.525 120.385 121.223 -0.521 0.000 2.017 382 L HA -0.161 4.179 4.340 -0.001 0.000 0.208 382 L C 2.290 179.060 176.870 -0.168 0.000 1.073 382 L CA 1.410 55.979 54.840 -0.453 0.000 0.745 382 L CB -0.640 41.026 42.059 -0.655 0.000 0.894 382 L HN 0.294 nan 8.230 nan 0.000 0.432 383 H N -0.833 118.114 119.070 -0.205 0.000 2.387 383 H HA -0.177 4.378 4.556 -0.001 0.000 0.299 383 H C 1.694 176.950 175.328 -0.119 0.000 1.090 383 H CA 0.840 56.792 56.048 -0.160 0.000 1.332 383 H CB 0.121 29.793 29.762 -0.151 0.000 1.386 383 H HN 0.314 nan 8.280 nan 0.000 0.516 384 D N 0.094 120.507 120.400 0.022 0.000 2.265 384 D HA -0.105 4.535 4.640 -0.001 0.000 0.208 384 D C 0.942 177.125 176.300 -0.196 0.000 0.977 384 D CA 1.313 55.270 54.000 -0.073 0.000 0.871 384 D CB -0.107 40.644 40.800 -0.080 0.000 0.925 384 D HN 0.569 nan 8.370 nan 0.000 0.485 385 H N -1.577 117.430 119.070 -0.105 0.000 2.542 385 H HA 0.366 4.922 4.556 -0.001 0.000 0.283 385 H C 1.289 176.550 175.328 -0.110 0.000 1.059 385 H CA 0.368 56.350 56.048 -0.110 0.000 1.162 385 H CB 0.665 30.343 29.762 -0.141 0.000 1.539 385 H HN 0.055 nan 8.280 nan 0.000 0.543 386 G N 0.774 109.561 108.800 -0.022 0.000 2.198 386 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.260 386 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.260 386 G C 0.126 174.979 174.900 -0.077 0.000 1.025 386 G CA 0.138 45.208 45.100 -0.052 0.000 0.769 386 G HN 0.459 nan 8.290 nan 0.000 0.507 387 Q N -0.885 118.864 119.800 -0.086 0.000 2.240 387 Q HA 0.699 5.039 4.340 -0.001 0.000 0.260 387 Q C -0.002 175.925 176.000 -0.122 0.000 1.018 387 Q CA -0.862 54.853 55.803 -0.146 0.000 0.898 387 Q CB 1.245 29.844 28.738 -0.232 0.000 1.301 387 Q HN 0.120 nan 8.270 nan 0.000 0.469 388 K N 0.579 120.876 120.400 -0.172 0.000 2.350 388 K HA 0.399 4.719 4.320 -0.001 0.000 0.241 388 K C -1.477 175.134 176.600 0.019 0.000 0.994 388 K CA -0.751 55.412 56.287 -0.206 0.000 0.839 388 K CB 1.508 33.573 32.500 -0.724 0.000 1.244 388 K HN 0.515 nan 8.250 nan 0.000 0.443 389 Y N 0.774 121.037 120.300 -0.063 0.000 2.326 389 Y HA 0.356 4.906 4.550 -0.001 0.000 0.331 389 Y C -1.172 174.829 175.900 0.169 0.000 0.962 389 Y CA -1.130 56.993 58.100 0.040 0.000 1.167 389 Y CB 1.102 39.559 38.460 -0.006 0.000 1.148 389 Y HN 0.183 nan 8.280 nan 0.000 0.463 390 V N 8.356 128.266 119.914 -0.006 0.000 2.417 390 V HA 0.474 4.594 4.120 -0.001 0.000 0.291 390 V C -0.041 175.919 176.094 -0.222 0.000 1.024 390 V CA -0.728 61.585 62.300 0.022 0.000 0.861 390 V CB 1.308 33.292 31.823 0.268 0.000 0.985 390 V HN 0.673 nan 8.190 nan 0.000 0.436 391 I N 2.935 123.342 120.570 -0.273 0.000 2.648 391 I HA 0.654 4.824 4.170 -0.001 0.000 0.304 391 I C -0.292 175.792 176.117 -0.056 0.000 1.009 391 I CA -0.696 60.390 61.300 -0.358 0.000 1.114 391 I CB 1.860 39.466 38.000 -0.656 0.000 1.293 391 I HN 0.510 nan 8.210 nan 0.000 0.449 392 I N 5.037 125.611 120.570 0.007 0.000 2.532 392 I HA 0.473 4.642 4.170 -0.001 0.000 0.292 392 I C -1.079 174.944 176.117 -0.158 0.000 1.014 392 I CA -0.674 60.509 61.300 -0.195 0.000 1.340 392 I CB 1.190 38.816 38.000 -0.623 0.000 1.422 392 I HN 0.564 nan 8.210 nan 0.000 0.528 393 L N 6.369 127.468 121.223 -0.206 0.000 2.436 393 L HA 0.455 4.795 4.340 -0.001 0.000 0.268 393 L C -1.268 175.583 176.870 -0.033 0.000 0.974 393 L CA -0.858 53.892 54.840 -0.151 0.000 0.826 393 L CB 2.027 44.026 42.059 -0.100 0.000 1.291 393 L HN 0.521 nan 8.230 nan 0.000 0.406 394 D N 3.371 123.782 120.400 0.019 0.000 2.268 394 D HA 0.304 4.944 4.640 -0.001 0.000 0.249 394 D C -1.719 174.739 176.300 0.264 0.000 1.008 394 D CA -1.397 52.664 54.000 0.102 0.000 0.939 394 D CB 2.037 42.889 40.800 0.087 0.000 1.170 394 D HN 0.221 nan 8.370 nan 0.000 0.468 395 P HA -0.051 nan 4.420 nan 0.000 0.215 395 P C 0.222 177.739 177.300 0.362 0.000 1.157 395 P CA 0.776 64.129 63.100 0.421 0.000 0.859 395 P CB 0.155 32.191 31.700 0.561 0.000 0.786 396 A N 0.720 123.612 122.820 0.121 0.000 2.477 396 A HA 0.354 4.673 4.320 -0.001 0.000 0.246 396 A C 0.223 177.794 177.584 -0.022 0.000 1.078 396 A CA 0.181 52.107 52.037 -0.185 0.000 0.770 396 A CB -0.465 18.198 19.000 -0.563 0.000 1.011 396 A HN 0.003 nan 8.150 nan 0.000 0.494 397 I N 1.865 122.401 120.570 -0.058 0.000 2.433 397 I HA 0.230 4.400 4.170 -0.001 0.000 0.292 397 I C 0.877 176.962 176.117 -0.052 0.000 1.001 397 I CA -0.198 61.188 61.300 0.143 0.000 1.119 397 I CB 1.333 39.557 38.000 0.375 0.000 1.289 397 I HN 0.683 nan 8.210 nan 0.000 0.438 398 S N 5.526 121.262 115.700 0.060 0.000 2.552 398 S HA 0.117 4.587 4.470 -0.001 0.000 0.289 398 S C 1.302 175.700 174.600 -0.337 0.000 1.304 398 S CA -0.271 57.852 58.200 -0.128 0.000 1.063 398 S CB 0.182 63.276 63.200 -0.176 0.000 0.848 398 S HN 0.531 nan 8.310 nan 0.000 0.499 399 I N 2.868 123.095 120.570 -0.571 0.000 3.793 399 I HA 0.417 4.587 4.170 -0.001 0.000 0.315 399 I C 1.007 176.729 176.117 -0.658 0.000 1.275 399 I CA -0.442 60.221 61.300 -1.061 0.000 1.214 399 I CB -0.600 37.004 38.000 -0.660 0.000 1.018 399 I HN 0.541 nan 8.210 nan 0.000 0.439 400 G N 1.323 109.912 108.800 -0.353 0.000 2.510 400 G HA2 0.541 4.501 3.960 -0.001 0.000 0.280 400 G HA3 0.541 4.501 3.960 -0.001 0.000 0.280 400 G C -0.289 174.560 174.900 -0.084 0.000 1.386 400 G CA -0.860 44.128 45.100 -0.187 0.000 1.047 400 G HN 0.245 nan 8.290 nan 0.000 0.527 401 R N -0.903 119.569 120.500 -0.046 0.000 2.782 401 R HA 0.459 4.799 4.340 -0.001 0.000 0.258 401 R C 0.011 176.292 176.300 -0.032 0.000 1.055 401 R CA -0.986 55.124 56.100 0.017 0.000 1.065 401 R CB 0.998 31.314 30.300 0.026 0.000 1.172 401 R HN 0.288 nan 8.270 nan 0.000 0.510 402 R N 0.267 120.773 120.500 0.010 0.000 2.774 402 R HA 0.074 4.414 4.340 -0.001 0.000 0.269 402 R C 0.989 177.270 176.300 -0.032 0.000 1.068 402 R CA 0.240 56.324 56.100 -0.026 0.000 1.180 402 R CB 0.129 30.448 30.300 0.031 0.000 1.077 402 R HN 0.872 nan 8.270 nan 0.000 0.513 403 A N 1.558 124.352 122.820 -0.044 0.000 2.019 403 A HA -0.191 4.128 4.320 -0.001 0.000 0.219 403 A C 1.721 179.297 177.584 -0.014 0.000 1.164 403 A CA 1.515 53.533 52.037 -0.032 0.000 0.644 403 A CB -0.347 18.632 19.000 -0.035 0.000 0.805 403 A HN 0.677 nan 8.150 nan 0.000 0.449 404 N N -0.927 117.769 118.700 -0.006 0.000 2.205 404 N HA -0.001 4.739 4.740 -0.001 0.000 0.186 404 N C 1.350 176.866 175.510 0.010 0.000 1.015 404 N CA 1.874 54.928 53.050 0.006 0.000 0.862 404 N CB -0.136 38.360 38.487 0.015 0.000 0.986 404 N HN 0.700 nan 8.380 nan 0.000 0.429 405 G N -1.794 107.013 108.800 0.012 0.000 2.232 405 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.226 405 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.226 405 G C 0.335 175.255 174.900 0.033 0.000 0.996 405 G CA 0.545 45.655 45.100 0.017 0.000 0.626 405 G HN 0.564 nan 8.290 nan 0.000 0.509 406 T N 0.596 115.174 114.554 0.041 0.000 2.860 406 T HA 0.490 4.840 4.350 -0.001 0.000 0.299 406 T C 0.894 175.648 174.700 0.089 0.000 1.045 406 T CA 0.713 62.849 62.100 0.060 0.000 1.071 406 T CB 1.250 70.154 68.868 0.060 0.000 0.985 406 T HN 1.468 nan 8.240 nan 0.000 0.537 407 T N 0.370 114.988 114.554 0.107 0.000 2.930 407 T HA 0.123 4.473 4.350 -0.001 0.000 0.306 407 T C -0.280 174.557 174.700 0.229 0.000 1.045 407 T CA -0.772 61.422 62.100 0.157 0.000 1.134 407 T CB -0.041 68.912 68.868 0.141 0.000 0.961 407 T HN 0.585 nan 8.240 nan 0.000 0.545 408 Y N 3.660 124.033 120.300 0.122 0.000 2.637 408 Y HA 0.454 5.004 4.550 -0.001 0.000 0.350 408 Y C 1.153 177.177 175.900 0.206 0.000 1.069 408 Y CA -1.346 56.843 58.100 0.148 0.000 1.397 408 Y CB -0.386 38.155 38.460 0.135 0.000 1.163 408 Y HN 0.902 nan 8.280 nan 0.000 0.527 409 A N 4.049 126.943 122.820 0.123 0.000 1.933 409 A HA -0.168 4.152 4.320 -0.001 0.000 0.218 409 A C 2.203 179.756 177.584 -0.053 0.000 1.175 409 A CA 2.157 54.214 52.037 0.034 0.000 0.628 409 A CB -0.911 18.122 19.000 0.054 0.000 0.814 409 A HN 0.778 nan 8.150 nan 0.000 0.444 410 T N -1.253 113.151 114.554 -0.251 0.000 2.653 410 T HA -0.255 4.094 4.350 -0.001 0.000 0.268 410 T C 1.785 176.577 174.700 0.153 0.000 1.035 410 T CA 1.969 63.993 62.100 -0.127 0.000 1.154 410 T CB -0.494 68.171 68.868 -0.338 0.000 0.862 410 T HN 0.583 nan 8.240 nan 0.000 0.441 411 Y N 2.236 122.380 120.300 -0.259 0.000 2.114 411 Y HA -0.143 4.407 4.550 -0.001 0.000 0.284 411 Y C 2.478 178.473 175.900 0.158 0.000 1.143 411 Y CA 1.381 59.539 58.100 0.097 0.000 1.135 411 Y CB -0.354 38.156 38.460 0.083 0.000 0.980 411 Y HN 0.134 nan 8.280 nan 0.000 0.499 412 E N 0.308 120.509 120.200 0.002 0.000 2.058 412 E HA -0.227 4.123 4.350 -0.001 0.000 0.194 412 E C 2.316 178.840 176.600 -0.127 0.000 0.997 412 E CA 1.564 57.904 56.400 -0.100 0.000 0.801 412 E CB -0.384 29.320 29.700 0.006 0.000 0.746 412 E HN 0.554 nan 8.360 nan 0.000 0.450 413 R N 0.004 120.485 120.500 -0.033 0.000 2.092 413 R HA -0.053 4.287 4.340 -0.001 0.000 0.231 413 R C 2.504 178.672 176.300 -0.219 0.000 1.119 413 R CA 1.038 57.126 56.100 -0.021 0.000 0.970 413 R CB -0.474 29.902 30.300 0.127 0.000 0.864 413 R HN 0.195 nan 8.270 nan 0.000 0.440 414 G N 1.310 109.873 108.800 -0.396 0.000 2.418 414 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.217 414 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.217 414 G C 1.219 175.457 174.900 -1.103 0.000 1.158 414 G CA 0.584 44.894 45.100 -1.318 0.000 0.771 414 G HN 0.226 nan 8.290 nan 0.000 0.545 415 N N 0.522 118.907 118.700 -0.525 0.000 2.084 415 N HA -0.092 4.648 4.740 -0.001 0.000 0.190 415 N C 2.419 177.563 175.510 -0.611 0.000 1.030 415 N CA 1.686 54.476 53.050 -0.433 0.000 0.849 415 N CB -0.781 37.490 38.487 -0.359 0.000 1.012 415 N HN 0.225 nan 8.380 nan 0.000 0.423 416 T N 1.213 115.495 114.554 -0.454 0.000 2.759 416 T HA -0.121 4.229 4.350 -0.001 0.000 0.269 416 T C 1.626 176.094 174.700 -0.386 0.000 1.042 416 T CA 1.152 63.032 62.100 -0.367 0.000 1.140 416 T CB -0.121 68.630 68.868 -0.195 0.000 0.864 416 T HN 0.362 nan 8.240 nan 0.000 0.455 417 Q N -0.465 119.087 119.800 -0.413 0.000 2.360 417 Q HA 0.092 4.432 4.340 -0.001 0.000 0.202 417 Q C -0.534 175.291 176.000 -0.292 0.000 0.915 417 Q CA -0.120 55.513 55.803 -0.283 0.000 0.943 417 Q CB 0.075 28.662 28.738 -0.252 0.000 1.064 417 Q HN 0.669 nan 8.270 nan 0.000 0.511 418 H N -1.868 116.926 119.070 -0.460 0.000 2.677 418 H HA -0.129 4.426 4.556 -0.001 0.000 0.321 418 H C 0.678 175.673 175.328 -0.555 0.000 1.171 418 H CA 0.572 56.360 56.048 -0.434 0.000 1.139 418 H CB -1.786 27.835 29.762 -0.235 0.000 1.515 418 H HN 0.221 nan 8.280 nan 0.000 0.423 419 V N -3.932 115.420 119.914 -0.937 0.000 3.649 419 V HA 0.128 4.248 4.120 -0.001 0.000 0.275 419 V C 0.857 176.524 176.094 -0.710 0.000 1.281 419 V CA -0.105 61.658 62.300 -0.895 0.000 1.143 419 V CB -0.329 30.764 31.823 -1.217 0.000 0.892 419 V HN 0.407 nan 8.190 nan 0.000 0.441 420 W N -0.119 121.017 121.300 -0.273 0.000 2.303 420 W HA 0.662 5.322 4.660 -0.001 0.000 0.334 420 W C 0.309 176.761 176.519 -0.112 0.000 1.197 420 W CA -1.323 55.905 57.345 -0.195 0.000 1.262 420 W CB 0.687 30.060 29.460 -0.144 0.000 1.153 420 W HN -0.031 nan 8.180 nan 0.000 0.596 421 I N 3.757 124.451 120.570 0.208 0.000 2.683 421 I HA -0.102 4.067 4.170 -0.001 0.000 0.286 421 I C 0.210 176.400 176.117 0.121 0.000 1.175 421 I CA 0.284 61.658 61.300 0.123 0.000 1.429 421 I CB -0.083 37.992 38.000 0.124 0.000 1.371 421 I HN 0.404 nan 8.210 nan 0.000 0.569 422 N N 5.820 124.564 118.700 0.073 0.000 2.443 422 N HA 0.310 5.049 4.740 -0.001 0.000 0.293 422 N C -0.340 175.191 175.510 0.034 0.000 1.159 422 N CA -0.712 52.374 53.050 0.060 0.000 0.904 422 N CB 0.994 39.510 38.487 0.048 0.000 1.214 422 N HN 0.494 nan 8.380 nan 0.000 0.513 423 E N -0.261 119.954 120.200 0.024 0.000 2.455 423 E HA -0.052 4.297 4.350 -0.001 0.000 0.259 423 E C 0.928 177.532 176.600 0.006 0.000 1.245 423 E CA 0.079 56.483 56.400 0.006 0.000 1.013 423 E CB 0.423 30.124 29.700 0.001 0.000 0.978 423 E HN 0.660 nan 8.360 nan 0.000 0.479 424 S N 0.924 116.623 115.700 -0.003 0.000 2.420 424 S HA -0.228 4.242 4.470 -0.001 0.000 0.237 424 S C 1.295 175.897 174.600 0.003 0.000 1.023 424 S CA 1.635 59.835 58.200 -0.001 0.000 0.991 424 S CB -0.397 62.798 63.200 -0.008 0.000 0.792 424 S HN 0.672 nan 8.310 nan 0.000 0.488 425 D N 1.313 121.715 120.400 0.003 0.000 2.350 425 D HA 0.104 4.744 4.640 -0.001 0.000 0.216 425 D C 1.530 177.834 176.300 0.007 0.000 0.968 425 D CA 0.823 54.826 54.000 0.005 0.000 0.894 425 D CB -1.250 39.553 40.800 0.005 0.000 0.909 425 D HN 0.683 nan 8.370 nan 0.000 0.520 426 G N -0.430 108.376 108.800 0.010 0.000 2.155 426 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.257 426 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.257 426 G C 0.934 175.841 174.900 0.011 0.000 0.983 426 G CA 1.180 46.285 45.100 0.010 0.000 0.676 426 G HN 0.880 nan 8.290 nan 0.000 0.528 427 S N -2.788 112.923 115.700 0.019 0.000 2.692 427 S HA 0.292 4.761 4.470 -0.001 0.000 0.269 427 S C 0.535 175.165 174.600 0.049 0.000 1.080 427 S CA 1.042 59.260 58.200 0.029 0.000 1.058 427 S CB 0.627 63.837 63.200 0.017 0.000 0.982 427 S HN 0.584 nan 8.310 nan 0.000 0.534 428 T N 5.532 120.110 114.554 0.040 0.000 2.749 428 T HA 0.483 4.833 4.350 -0.001 0.000 0.295 428 T C -2.957 171.775 174.700 0.053 0.000 0.936 428 T CA -1.103 61.022 62.100 0.043 0.000 1.060 428 T CB 1.031 69.913 68.868 0.025 0.000 0.904 428 T HN 0.162 nan 8.240 nan 0.000 0.500 429 P HA 0.188 nan 4.420 nan 0.000 0.267 429 P C 0.098 177.411 177.300 0.022 0.000 1.209 429 P CA -0.425 62.718 63.100 0.071 0.000 0.763 429 P CB 0.346 32.075 31.700 0.049 0.000 0.816 430 I N 4.213 124.808 120.570 0.043 0.000 2.588 430 I HA 0.108 4.277 4.170 -0.001 0.000 0.283 430 I C -0.155 175.987 176.117 0.042 0.000 1.119 430 I CA 0.009 61.330 61.300 0.035 0.000 1.419 430 I CB 0.255 38.275 38.000 0.033 0.000 1.394 430 I HN 0.140 nan 8.210 nan 0.000 0.562 431 I N 7.550 128.131 120.570 0.018 0.000 2.362 431 I HA 0.425 4.594 4.170 -0.001 0.000 0.289 431 I C 0.574 176.719 176.117 0.047 0.000 0.994 431 I CA -0.152 61.139 61.300 -0.015 0.000 1.158 431 I CB 0.563 38.528 38.000 -0.058 0.000 1.315 431 I HN 0.662 nan 8.210 nan 0.000 0.451 432 G N 4.944 113.807 108.800 0.105 0.000 3.122 432 G HA2 0.589 4.549 3.960 -0.001 0.000 0.180 432 G HA3 0.589 4.549 3.960 -0.001 0.000 0.180 432 G C -1.107 173.768 174.900 -0.043 0.000 1.279 432 G CA -0.278 44.897 45.100 0.125 0.000 0.987 432 G HN 0.568 nan 8.290 nan 0.000 0.589 433 E N -1.184 118.972 120.200 -0.074 0.000 2.291 433 E HA 0.524 4.873 4.350 -0.001 0.000 0.276 433 E C -1.043 175.288 176.600 -0.448 0.000 0.896 433 E CA -0.598 55.702 56.400 -0.167 0.000 0.774 433 E CB 2.161 31.845 29.700 -0.027 0.000 1.227 433 E HN 0.289 nan 8.360 nan 0.000 0.413 434 V N 2.633 122.217 119.914 -0.549 0.000 4.306 434 V HA 0.321 4.441 4.120 -0.001 0.000 0.303 434 V C 0.651 176.473 176.094 -0.454 0.000 1.454 434 V CA -0.839 60.805 62.300 -1.093 0.000 0.910 434 V CB -0.072 31.216 31.823 -0.893 0.000 1.241 434 V HN 0.900 nan 8.190 nan 0.000 0.466 435 W N 1.023 122.267 121.300 -0.093 0.000 2.338 435 W HA -0.017 4.642 4.660 -0.001 0.000 0.304 435 W C -0.453 176.082 176.519 0.026 0.000 1.212 435 W CA 1.679 59.087 57.345 0.105 0.000 1.264 435 W CB -1.377 28.117 29.460 0.056 0.000 1.142 435 W HN 0.486 nan 8.180 nan 0.000 0.512 436 P HA 0.238 nan 4.420 nan 0.000 0.249 436 P C 0.737 178.029 177.300 -0.013 0.000 1.229 436 P CA 1.667 64.782 63.100 0.025 0.000 0.788 436 P CB 0.439 32.098 31.700 -0.069 0.000 1.072 437 G N 0.192 108.990 108.800 -0.004 0.000 2.418 437 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.206 437 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.206 437 G C -1.033 173.804 174.900 -0.105 0.000 1.202 437 G CA -0.736 44.346 45.100 -0.031 0.000 1.061 437 G HN 0.172 nan 8.290 nan 0.000 0.563 438 L N 1.769 122.925 121.223 -0.113 0.000 2.485 438 L HA 0.488 4.827 4.340 -0.001 0.000 0.275 438 L C 1.113 177.840 176.870 -0.237 0.000 1.207 438 L CA 0.864 55.613 54.840 -0.153 0.000 0.855 438 L CB 0.391 42.374 42.059 -0.127 0.000 1.114 438 L HN 1.063 nan 8.230 nan 0.000 0.485 439 T N -0.380 113.994 114.554 -0.301 0.000 2.894 439 T HA 0.614 4.964 4.350 -0.001 0.000 0.309 439 T C -0.405 173.980 174.700 -0.526 0.000 1.208 439 T CA -0.938 60.899 62.100 -0.439 0.000 1.016 439 T CB 1.693 70.224 68.868 -0.562 0.000 1.192 439 T HN 0.374 nan 8.240 nan 0.000 0.491 440 V N -0.381 119.165 119.914 -0.614 0.000 2.973 440 V HA 0.790 4.909 4.120 -0.001 0.000 0.314 440 V C -1.324 174.377 176.094 -0.654 0.000 1.066 440 V CA -1.182 60.734 62.300 -0.640 0.000 1.021 440 V CB 0.614 31.800 31.823 -1.061 0.000 1.076 440 V HN 0.915 nan 8.190 nan 0.000 0.462 441 Y N 1.023 121.250 120.300 -0.121 0.000 2.350 441 Y HA 0.604 5.154 4.550 -0.001 0.000 0.338 441 Y C -2.481 173.560 175.900 0.235 0.000 0.961 441 Y CA -2.518 55.623 58.100 0.068 0.000 1.100 441 Y CB 2.116 40.580 38.460 0.005 0.000 1.179 441 Y HN 0.485 nan 8.280 nan 0.000 0.454 442 P HA -0.041 nan 4.420 nan 0.000 0.268 442 P C -0.533 176.569 177.300 -0.330 0.000 1.205 442 P CA 0.019 63.030 63.100 -0.148 0.000 0.771 442 P CB 0.676 31.965 31.700 -0.684 0.000 0.858 443 D N 2.408 122.581 120.400 -0.377 0.000 2.468 443 D HA 0.128 4.767 4.640 -0.001 0.000 0.218 443 D C 0.178 176.160 176.300 -0.529 0.000 1.155 443 D CA -0.305 53.483 54.000 -0.354 0.000 0.924 443 D CB -0.475 40.192 40.800 -0.222 0.000 1.029 443 D HN 0.125 nan 8.370 nan 0.000 0.515 444 F N 0.923 120.595 119.950 -0.463 0.000 2.604 444 F HA -0.056 4.471 4.527 -0.001 0.000 0.298 444 F C 2.626 178.057 175.800 -0.615 0.000 1.131 444 F CA 0.965 58.651 58.000 -0.523 0.000 1.457 444 F CB -0.404 38.199 39.000 -0.662 0.000 1.095 444 F HN 0.385 nan 8.300 nan 0.000 0.574 445 T N -3.005 111.145 114.554 -0.674 0.000 3.118 445 T HA -0.069 4.281 4.350 -0.001 0.000 0.260 445 T C 0.838 175.186 174.700 -0.586 0.000 1.139 445 T CA 0.076 61.505 62.100 -1.119 0.000 1.085 445 T CB -0.393 67.423 68.868 -1.754 0.000 0.934 445 T HN 0.084 nan 8.240 nan 0.000 0.518 446 N N 1.991 120.475 118.700 -0.359 0.000 2.426 446 N HA 0.247 4.987 4.740 -0.001 0.000 0.257 446 N C -2.188 173.246 175.510 -0.128 0.000 1.002 446 N CA -2.090 50.840 53.050 -0.201 0.000 0.942 446 N CB 2.135 40.504 38.487 -0.197 0.000 1.112 446 N HN -0.075 nan 8.380 nan 0.000 0.499 447 P HA -0.130 nan 4.420 nan 0.000 0.216 447 P C 0.513 177.809 177.300 -0.008 0.000 1.154 447 P CA 1.636 64.724 63.100 -0.020 0.000 0.865 447 P CB 0.252 31.951 31.700 -0.002 0.000 0.789 448 N N -1.593 117.087 118.700 -0.033 0.000 2.244 448 N HA -0.146 4.593 4.740 -0.001 0.000 0.183 448 N C 1.836 177.341 175.510 -0.009 0.000 1.016 448 N CA 0.700 53.733 53.050 -0.029 0.000 0.866 448 N CB -0.620 37.826 38.487 -0.068 0.000 0.980 448 N HN 0.217 nan 8.380 nan 0.000 0.430 449 C N 0.737 120.004 119.300 -0.055 0.000 2.457 449 C HA 0.082 4.542 4.460 -0.001 0.000 0.278 449 C C 2.432 177.565 174.990 0.238 0.000 1.309 449 C CA 0.168 59.181 59.018 -0.008 0.000 1.735 449 C CB -1.012 26.589 27.740 -0.231 0.000 1.992 449 C HN 0.359 nan 8.230 nan 0.000 0.493 450 I N 1.333 121.996 120.570 0.154 0.000 2.226 450 I HA -0.163 4.006 4.170 -0.001 0.000 0.245 450 I C 2.166 178.420 176.117 0.228 0.000 1.100 450 I CA 1.915 63.348 61.300 0.222 0.000 1.374 450 I CB -0.565 37.499 38.000 0.106 0.000 1.057 450 I HN 0.322 nan 8.210 nan 0.000 0.413 451 D N 0.025 120.516 120.400 0.151 0.000 2.117 451 D HA -0.243 4.396 4.640 -0.001 0.000 0.197 451 D C 1.650 178.026 176.300 0.127 0.000 0.987 451 D CA 1.104 55.169 54.000 0.108 0.000 0.829 451 D CB -0.498 40.343 40.800 0.067 0.000 0.961 451 D HN 0.497 nan 8.370 nan 0.000 0.460 452 W N 1.032 122.324 121.300 -0.013 0.000 2.335 452 W HA -0.189 4.471 4.660 -0.001 0.000 0.311 452 W C 2.290 178.828 176.519 0.032 0.000 1.213 452 W CA 1.380 58.697 57.345 -0.046 0.000 1.274 452 W CB -0.633 28.749 29.460 -0.129 0.000 1.148 452 W HN 0.102 nan 8.180 nan 0.000 0.498 453 W N 1.127 122.260 121.300 -0.279 0.000 2.381 453 W HA -0.191 4.469 4.660 -0.001 0.000 0.301 453 W C 2.143 178.474 176.519 -0.313 0.000 1.205 453 W CA 2.427 59.499 57.345 -0.456 0.000 1.285 453 W CB -0.793 28.732 29.460 0.109 0.000 1.133 453 W HN 0.028 nan 8.180 nan 0.000 0.521 454 A N 0.590 123.390 122.820 -0.033 0.000 1.933 454 A HA -0.293 4.026 4.320 -0.001 0.000 0.218 454 A C 1.666 179.119 177.584 -0.217 0.000 1.175 454 A CA 2.123 54.098 52.037 -0.102 0.000 0.628 454 A CB -1.193 17.814 19.000 0.011 0.000 0.814 454 A HN 0.485 nan 8.150 nan 0.000 0.444 455 N N -0.480 118.071 118.700 -0.249 0.000 2.216 455 N HA -0.121 4.618 4.740 -0.001 0.000 0.183 455 N C 1.650 176.917 175.510 -0.404 0.000 1.017 455 N CA 1.344 54.239 53.050 -0.257 0.000 0.861 455 N CB -0.135 38.245 38.487 -0.180 0.000 0.986 455 N HN 0.351 nan 8.380 nan 0.000 0.428 456 E N 0.208 119.966 120.200 -0.737 0.000 2.058 456 E HA -0.177 4.173 4.350 -0.001 0.000 0.194 456 E C 2.199 178.288 176.600 -0.852 0.000 0.997 456 E CA 1.006 56.724 56.400 -1.137 0.000 0.801 456 E CB -0.865 27.554 29.700 -2.134 0.000 0.746 456 E HN 0.459 nan 8.360 nan 0.000 0.450 457 C N 0.439 119.363 119.300 -0.627 0.000 2.429 457 C HA -0.090 4.369 4.460 -0.001 0.000 0.277 457 C C 3.120 178.170 174.990 0.099 0.000 1.262 457 C CA 1.191 60.159 59.018 -0.083 0.000 1.733 457 C CB -0.937 26.718 27.740 -0.142 0.000 2.010 457 C HN 0.452 nan 8.230 nan 0.000 0.483 458 S N 0.396 116.050 115.700 -0.076 0.000 2.355 458 S HA -0.068 4.402 4.470 -0.001 0.000 0.222 458 S C 1.695 176.298 174.600 0.004 0.000 1.031 458 S CA 1.360 59.522 58.200 -0.063 0.000 0.993 458 S CB -0.333 62.798 63.200 -0.116 0.000 0.859 458 S HN 0.565 nan 8.310 nan 0.000 0.453 459 I N 0.398 120.950 120.570 -0.031 0.000 2.194 459 I HA -0.174 3.996 4.170 -0.001 0.000 0.246 459 I C 2.153 178.367 176.117 0.162 0.000 1.093 459 I CA 1.555 62.869 61.300 0.024 0.000 1.355 459 I CB -0.391 37.588 38.000 -0.034 0.000 1.046 459 I HN 0.343 nan 8.210 nan 0.000 0.413 460 F N 0.649 120.650 119.950 0.086 0.000 2.206 460 F HA -0.195 4.331 4.527 -0.001 0.000 0.298 460 F C 2.636 178.619 175.800 0.305 0.000 1.090 460 F CA 1.513 59.667 58.000 0.256 0.000 1.323 460 F CB -0.640 38.625 39.000 0.441 0.000 1.028 460 F HN 0.133 nan 8.300 nan 0.000 0.492 461 H N 0.216 119.371 119.070 0.142 0.000 2.489 461 H HA -0.144 4.412 4.556 -0.001 0.000 0.295 461 H C 1.740 176.949 175.328 -0.198 0.000 1.082 461 H CA 1.801 57.754 56.048 -0.159 0.000 1.295 461 H CB 0.136 29.653 29.762 -0.409 0.000 1.380 461 H HN 0.454 nan 8.280 nan 0.000 0.548 462 Q N -0.106 119.630 119.800 -0.107 0.000 2.187 462 Q HA -0.078 4.261 4.340 -0.001 0.000 0.199 462 Q C 2.092 178.007 176.000 -0.141 0.000 0.957 462 Q CA 0.826 56.561 55.803 -0.113 0.000 0.857 462 Q CB 0.256 28.978 28.738 -0.025 0.000 0.929 462 Q HN 0.559 nan 8.270 nan 0.000 0.453 463 E N -0.088 120.024 120.200 -0.147 0.000 2.086 463 E HA -0.003 4.347 4.350 -0.001 0.000 0.190 463 E C -0.357 176.098 176.600 -0.241 0.000 0.975 463 E CA 0.491 56.829 56.400 -0.103 0.000 0.813 463 E CB 0.799 30.532 29.700 0.055 0.000 0.768 463 E HN -0.031 nan 8.360 nan 0.000 0.457 464 V N 2.031 121.654 119.914 -0.485 0.000 2.409 464 V HA 0.161 4.281 4.120 -0.001 0.000 0.290 464 V C -0.737 175.141 176.094 -0.360 0.000 1.017 464 V CA -0.447 61.600 62.300 -0.423 0.000 0.841 464 V CB 1.459 32.966 31.823 -0.527 0.000 1.003 464 V HN 0.103 nan 8.190 nan 0.000 0.426 465 Q N 4.267 123.868 119.800 -0.332 0.000 3.247 465 Q HA 0.241 4.581 4.340 -0.001 0.000 0.326 465 Q C -0.260 175.743 176.000 0.005 0.000 1.402 465 Q CA -0.364 55.120 55.803 -0.532 0.000 0.994 465 Q CB -0.083 28.451 28.738 -0.341 0.000 1.647 465 Q HN 0.839 nan 8.270 nan 0.000 0.523 466 Y N -1.744 118.682 120.300 0.211 0.000 2.511 466 Y HA 0.037 4.587 4.550 -0.001 0.000 0.347 466 Y C 0.501 176.692 175.900 0.485 0.000 1.257 466 Y CA -0.161 58.121 58.100 0.304 0.000 1.469 466 Y CB 0.680 39.207 38.460 0.112 0.000 1.353 466 Y HN 0.139 nan 8.280 nan 0.000 0.617 467 D N 0.575 121.240 120.400 0.441 0.000 2.454 467 D HA 0.243 4.882 4.640 -0.001 0.000 0.214 467 D C 0.429 176.886 176.300 0.261 0.000 1.088 467 D CA 0.730 54.836 54.000 0.176 0.000 0.855 467 D CB 1.039 41.724 40.800 -0.190 0.000 1.025 467 D HN 0.814 nan 8.370 nan 0.000 0.502 468 G N 0.375 109.497 108.800 0.536 0.000 2.677 468 G HA2 0.603 4.563 3.960 -0.001 0.000 0.291 468 G HA3 0.603 4.563 3.960 -0.001 0.000 0.291 468 G C -1.743 173.421 174.900 0.440 0.000 1.435 468 G CA -0.583 44.866 45.100 0.583 0.000 0.826 468 G HN -0.025 nan 8.290 nan 0.000 0.491 469 L N 0.005 121.416 121.223 0.313 0.000 2.381 469 L HA 0.628 4.967 4.340 -0.001 0.000 0.268 469 L C -1.356 175.592 176.870 0.131 0.000 0.997 469 L CA -0.860 54.070 54.840 0.150 0.000 0.818 469 L CB 2.807 44.928 42.059 0.103 0.000 1.310 469 L HN 0.628 nan 8.230 nan 0.000 0.416 470 W N 6.062 127.306 121.300 -0.092 0.000 2.411 470 W HA 0.617 5.277 4.660 -0.001 0.000 0.317 470 W C -1.136 175.328 176.519 -0.092 0.000 1.030 470 W CA -1.809 55.441 57.345 -0.158 0.000 1.239 470 W CB 0.986 30.342 29.460 -0.173 0.000 1.304 470 W HN 0.314 nan 8.180 nan 0.000 0.437 471 I N 4.031 124.713 120.570 0.186 0.000 2.339 471 I HA 0.561 4.731 4.170 -0.001 0.000 0.290 471 I C -0.576 175.598 176.117 0.095 0.000 0.994 471 I CA -0.421 60.917 61.300 0.063 0.000 1.191 471 I CB 1.536 39.572 38.000 0.061 0.000 1.343 471 I HN 0.272 nan 8.210 nan 0.000 0.458 472 D N 5.636 126.012 120.400 -0.039 0.000 2.533 472 D HA 0.524 5.164 4.640 -0.001 0.000 0.247 472 D C 0.383 176.719 176.300 0.060 0.000 1.056 472 D CA -0.334 53.681 54.000 0.025 0.000 1.054 472 D CB 1.398 42.029 40.800 -0.280 0.000 1.400 472 D HN 0.632 nan 8.370 nan 0.000 0.533 473 M N 0.563 120.220 119.600 0.095 0.000 2.682 473 M HA -0.221 4.259 4.480 -0.001 0.000 0.196 473 M C -0.260 176.065 176.300 0.042 0.000 0.542 473 M CA 0.512 55.857 55.300 0.074 0.000 0.593 473 M CB -2.941 29.688 32.600 0.048 0.000 2.183 473 M HN 0.567 nan 8.290 nan 0.000 0.663 474 N N -0.483 118.265 118.700 0.080 0.000 2.380 474 N HA 0.295 5.035 4.740 -0.001 0.000 0.255 474 N C 0.636 176.188 175.510 0.069 0.000 1.158 474 N CA -0.127 52.992 53.050 0.117 0.000 0.878 474 N CB 0.245 38.867 38.487 0.225 0.000 1.138 474 N HN 0.249 nan 8.380 nan 0.000 0.509 475 E N -0.224 119.957 120.200 -0.032 0.000 2.150 475 E HA -0.009 4.340 4.350 -0.001 0.000 0.193 475 E C 0.331 176.680 176.600 -0.419 0.000 0.985 475 E CA 0.445 56.780 56.400 -0.108 0.000 0.814 475 E CB 0.195 29.893 29.700 -0.002 0.000 0.752 475 E HN 0.281 nan 8.360 nan 0.000 0.466 476 V N -0.013 119.588 119.914 -0.522 0.000 2.644 476 V HA 0.292 4.412 4.120 -0.001 0.000 0.295 476 V C -0.129 175.784 176.094 -0.301 0.000 1.053 476 V CA -0.432 61.540 62.300 -0.546 0.000 0.987 476 V CB 1.818 32.915 31.823 -1.209 0.000 1.006 476 V HN 0.100 nan 8.190 nan 0.000 0.472 477 S N 4.048 119.637 115.700 -0.185 0.000 2.541 477 S HA 0.640 5.110 4.470 -0.001 0.000 0.283 477 S C -0.449 174.061 174.600 -0.151 0.000 1.196 477 S CA -0.217 57.922 58.200 -0.101 0.000 1.062 477 S CB 1.245 64.423 63.200 -0.036 0.000 1.009 477 S HN 1.030 nan 8.310 nan 0.000 0.502 478 S N 3.140 118.779 115.700 -0.102 0.000 2.547 478 S HA 0.604 5.074 4.470 -0.001 0.000 0.281 478 S C -0.345 174.277 174.600 0.038 0.000 1.118 478 S CA -0.622 57.513 58.200 -0.108 0.000 0.947 478 S CB 0.431 63.621 63.200 -0.018 0.000 1.053 478 S HN 0.615 nan 8.310 nan 0.000 0.482 479 F N 3.135 123.042 119.950 -0.072 0.000 2.789 479 F HA 0.349 4.876 4.527 -0.001 0.000 0.300 479 F C 0.867 176.654 175.800 -0.020 0.000 1.132 479 F CA -0.495 57.460 58.000 -0.075 0.000 1.404 479 F CB -0.541 38.380 39.000 -0.132 0.000 1.114 479 F HN 0.497 nan 8.300 nan 0.000 0.584 480 I N -1.787 118.876 120.570 0.155 0.000 2.562 480 I HA 0.438 4.608 4.170 -0.001 0.000 0.301 480 I C -0.237 175.952 176.117 0.120 0.000 1.003 480 I CA -1.187 60.182 61.300 0.116 0.000 1.127 480 I CB 1.317 39.364 38.000 0.080 0.000 1.304 480 I HN -0.303 nan 8.210 nan 0.000 0.446 481 Q N 4.010 123.898 119.800 0.147 0.000 2.307 481 Q HA 0.287 4.626 4.340 -0.001 0.000 0.261 481 Q C 0.966 177.113 176.000 0.246 0.000 1.051 481 Q CA 0.835 56.783 55.803 0.241 0.000 0.911 481 Q CB 1.148 30.058 28.738 0.286 0.000 1.227 481 Q HN 1.147 nan 8.270 nan 0.000 0.418 482 G N 2.939 111.869 108.800 0.217 0.000 3.444 482 G HA2 -0.351 3.609 3.960 -0.001 0.000 0.222 482 G HA3 -0.351 3.609 3.960 -0.001 0.000 0.222 482 G C 0.187 175.046 174.900 -0.068 0.000 1.358 482 G CA 0.644 45.710 45.100 -0.056 0.000 0.880 482 G HN 1.326 nan 8.290 nan 0.000 0.555 483 S N -2.893 112.787 115.700 -0.032 0.000 2.688 483 S HA 0.512 4.981 4.470 -0.001 0.000 0.269 483 S C 0.971 175.570 174.600 -0.001 0.000 1.060 483 S CA 0.668 58.860 58.200 -0.014 0.000 0.844 483 S CB 0.298 63.475 63.200 -0.038 0.000 1.095 483 S HN 1.949 nan 8.310 nan 0.000 0.466 484 T N -0.672 113.882 114.554 0.001 0.000 2.802 484 T HA -0.169 4.181 4.350 -0.001 0.000 0.269 484 T C 1.184 175.883 174.700 -0.000 0.000 1.062 484 T CA 1.710 63.810 62.100 0.001 0.000 1.133 484 T CB -0.899 67.963 68.868 -0.010 0.000 0.852 484 T HN 0.964 nan 8.240 nan 0.000 0.485 485 K N 1.038 121.432 120.400 -0.011 0.000 2.455 485 K HA 0.545 4.865 4.320 -0.001 0.000 0.206 485 K C 1.154 177.743 176.600 -0.018 0.000 1.027 485 K CA -0.205 56.076 56.287 -0.010 0.000 1.113 485 K CB 0.110 32.603 32.500 -0.012 0.000 0.850 485 K HN 0.421 nan 8.250 nan 0.000 0.503 486 G N 0.842 109.627 108.800 -0.025 0.000 2.598 486 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.244 486 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.244 486 G C -0.677 174.135 174.900 -0.147 0.000 1.302 486 G CA -0.265 44.806 45.100 -0.048 0.000 0.903 486 G HN 0.370 nan 8.290 nan 0.000 0.575 487 C N 0.013 119.201 119.300 -0.186 0.000 2.712 487 C HA 0.605 5.064 4.460 -0.001 0.000 0.308 487 C C 0.487 175.434 174.990 -0.072 0.000 1.201 487 C CA -0.771 58.088 59.018 -0.265 0.000 1.554 487 C CB 1.065 28.386 27.740 -0.699 0.000 2.117 487 C HN 0.829 nan 8.230 nan 0.000 0.480 488 N N 0.487 119.156 118.700 -0.052 0.000 2.458 488 N HA 0.191 4.931 4.740 -0.001 0.000 0.258 488 N C -0.519 175.060 175.510 0.114 0.000 1.219 488 N CA -0.123 52.939 53.050 0.019 0.000 0.902 488 N CB 0.530 39.019 38.487 0.002 0.000 1.076 488 N HN 0.457 nan 8.380 nan 0.000 0.455 489 V N 3.111 123.110 119.914 0.141 0.000 2.364 489 V HA 0.113 4.233 4.120 -0.001 0.000 0.252 489 V C -0.033 176.153 176.094 0.154 0.000 1.075 489 V CA -0.117 62.308 62.300 0.208 0.000 1.033 489 V CB -1.262 30.586 31.823 0.041 0.000 1.116 489 V HN 0.834 nan 8.190 nan 0.000 0.488 490 N N 3.103 121.928 118.700 0.209 0.000 2.972 490 N HA 0.353 5.092 4.740 -0.001 0.000 0.262 490 N C 0.537 176.130 175.510 0.137 0.000 1.478 490 N CA -0.916 52.204 53.050 0.117 0.000 0.841 490 N CB 0.901 39.416 38.487 0.047 0.000 1.512 490 N HN 0.235 nan 8.380 nan 0.000 0.548 491 K N -0.432 120.003 120.400 0.058 0.000 2.362 491 K HA 0.060 4.379 4.320 -0.001 0.000 0.200 491 K C 0.789 177.367 176.600 -0.036 0.000 1.046 491 K CA 1.060 57.367 56.287 0.033 0.000 0.952 491 K CB -0.389 32.109 32.500 -0.003 0.000 0.753 491 K HN 0.489 nan 8.250 nan 0.000 0.466 492 L N 0.808 121.977 121.223 -0.091 0.000 2.127 492 L HA -0.025 4.315 4.340 -0.001 0.000 0.203 492 L C 1.632 178.551 176.870 0.082 0.000 1.080 492 L CA 1.263 56.015 54.840 -0.147 0.000 0.768 492 L CB -0.440 41.508 42.059 -0.187 0.000 0.924 492 L HN 0.262 nan 8.230 nan 0.000 0.444 493 N N -1.449 117.255 118.700 0.007 0.000 2.376 493 N HA -0.067 4.673 4.740 -0.001 0.000 0.177 493 N C -0.428 174.816 175.510 -0.443 0.000 1.024 493 N CA 0.597 53.571 53.050 -0.128 0.000 0.893 493 N CB 0.269 38.638 38.487 -0.197 0.000 0.980 493 N HN 0.205 nan 8.380 nan 0.000 0.439 494 Y N 0.511 120.880 120.300 0.115 0.000 2.662 494 Y HA 0.363 4.912 4.550 -0.001 0.000 0.358 494 Y C -2.397 173.531 175.900 0.047 0.000 1.041 494 Y CA -2.262 55.880 58.100 0.070 0.000 1.184 494 Y CB 0.908 39.406 38.460 0.063 0.000 1.114 494 Y HN -0.038 nan 8.280 nan 0.000 0.650 495 P HA 0.182 nan 4.420 nan 0.000 0.276 495 P C -2.052 175.297 177.300 0.082 0.000 1.252 495 P CA -1.582 61.585 63.100 0.111 0.000 0.802 495 P CB 1.473 33.264 31.700 0.151 0.000 1.035 496 P HA -0.010 nan 4.420 nan 0.000 0.221 496 P C 0.062 177.337 177.300 -0.042 0.000 1.150 496 P CA 1.118 64.279 63.100 0.101 0.000 0.800 496 P CB 0.099 31.910 31.700 0.184 0.000 0.787 497 F N 0.834 120.585 119.950 -0.332 0.000 2.477 497 F HA 0.486 5.013 4.527 -0.001 0.000 0.335 497 F C -0.899 174.765 175.800 -0.228 0.000 1.130 497 F CA -0.644 57.030 58.000 -0.542 0.000 0.948 497 F CB 1.502 39.946 39.000 -0.927 0.000 1.154 497 F HN -0.404 nan 8.300 nan 0.000 0.439 498 T N 8.007 122.002 114.554 -0.932 0.000 2.772 498 T HA 0.422 4.771 4.350 -0.001 0.000 0.288 498 T C -2.561 171.456 174.700 -1.138 0.000 0.994 498 T CA -1.255 60.362 62.100 -0.805 0.000 0.951 498 T CB 1.365 69.995 68.868 -0.398 0.000 0.933 498 T HN 0.331 nan 8.240 nan 0.000 0.447 499 P HA 0.182 nan 4.420 nan 0.000 0.274 499 P C 0.173 177.305 177.300 -0.280 0.000 1.260 499 P CA -0.470 62.311 63.100 -0.532 0.000 0.793 499 P CB 0.503 32.089 31.700 -0.190 0.000 1.048 500 D N -0.054 120.279 120.400 -0.112 0.000 2.644 500 D HA 0.027 4.667 4.640 -0.001 0.000 0.252 500 D C 0.265 176.536 176.300 -0.049 0.000 1.254 500 D CA -0.095 53.863 54.000 -0.070 0.000 0.884 500 D CB -1.409 39.377 40.800 -0.023 0.000 1.034 500 D HN 0.238 nan 8.370 nan 0.000 0.473 501 I N -2.273 118.250 120.570 -0.078 0.000 2.836 501 I HA 0.136 4.305 4.170 -0.001 0.000 0.285 501 I C 0.296 176.394 176.117 -0.032 0.000 1.174 501 I CA -1.054 60.226 61.300 -0.032 0.000 1.405 501 I CB 0.615 38.587 38.000 -0.047 0.000 1.385 501 I HN -0.145 nan 8.210 nan 0.000 0.594 502 L N 6.143 127.368 121.223 0.003 0.000 2.499 502 L HA 0.112 4.452 4.340 -0.001 0.000 0.273 502 L C 0.304 177.159 176.870 -0.024 0.000 1.195 502 L CA 1.074 55.913 54.840 -0.002 0.000 0.882 502 L CB -0.404 41.666 42.059 0.018 0.000 1.133 502 L HN 0.868 nan 8.230 nan 0.000 0.483 503 D N 1.828 122.209 120.400 -0.032 0.000 2.653 503 D HA -0.258 4.381 4.640 -0.001 0.000 0.184 503 D C 0.222 176.475 176.300 -0.079 0.000 0.993 503 D CA 1.209 55.178 54.000 -0.051 0.000 1.027 503 D CB -0.712 40.051 40.800 -0.061 0.000 1.089 503 D HN 0.905 nan 8.370 nan 0.000 0.447 504 K N -1.066 119.278 120.400 -0.093 0.000 3.071 504 K HA -0.219 4.101 4.320 -0.001 0.000 0.262 504 K C -0.244 176.267 176.600 -0.149 0.000 0.977 504 K CA 0.811 57.022 56.287 -0.126 0.000 0.721 504 K CB -1.338 31.101 32.500 -0.103 0.000 1.293 504 K HN 0.398 nan 8.250 nan 0.000 0.475 505 L N -0.102 121.006 121.223 -0.192 0.000 2.491 505 L HA 0.255 4.594 4.340 -0.001 0.000 0.267 505 L C 0.973 177.646 176.870 -0.328 0.000 0.971 505 L CA -0.558 54.100 54.840 -0.302 0.000 0.857 505 L CB 1.421 43.263 42.059 -0.363 0.000 1.226 505 L HN -0.030 nan 8.230 nan 0.000 0.408 506 M N 3.452 122.859 119.600 -0.322 0.000 2.082 506 M HA -0.200 4.280 4.480 -0.001 0.000 0.258 506 M C 1.298 177.560 176.300 -0.063 0.000 1.069 506 M CA 2.197 57.363 55.300 -0.223 0.000 1.102 506 M CB -0.996 31.495 32.600 -0.183 0.000 1.336 506 M HN 0.841 nan 8.290 nan 0.000 0.404 507 Y N -1.506 118.730 120.300 -0.107 0.000 2.461 507 Y HA 0.452 5.002 4.550 -0.001 0.000 0.277 507 Y C 0.964 176.842 175.900 -0.037 0.000 1.182 507 Y CA -0.677 57.381 58.100 -0.071 0.000 1.276 507 Y CB -0.813 37.592 38.460 -0.091 0.000 1.087 507 Y HN -0.034 nan 8.280 nan 0.000 0.519 508 S N 2.134 117.677 115.700 -0.261 0.000 2.544 508 S HA 0.057 4.527 4.470 -0.001 0.000 0.290 508 S C 0.839 175.440 174.600 0.002 0.000 1.276 508 S CA 0.073 58.188 58.200 -0.142 0.000 1.075 508 S CB -0.030 63.085 63.200 -0.142 0.000 0.849 508 S HN 0.645 nan 8.310 nan 0.000 0.494 509 K N 1.353 121.781 120.400 0.048 0.000 3.274 509 K HA -0.149 4.171 4.320 -0.001 0.000 0.300 509 K C 0.086 176.724 176.600 0.064 0.000 1.230 509 K CA 1.611 57.946 56.287 0.080 0.000 0.884 509 K CB -1.706 30.845 32.500 0.086 0.000 1.242 509 K HN 0.745 nan 8.250 nan 0.000 0.467 510 T N -1.792 112.799 114.554 0.062 0.000 2.598 510 T HA 0.698 5.048 4.350 -0.001 0.000 0.289 510 T C -0.808 173.887 174.700 -0.009 0.000 1.056 510 T CA -0.440 61.665 62.100 0.009 0.000 1.088 510 T CB 0.603 69.526 68.868 0.093 0.000 1.519 510 T HN 0.331 nan 8.240 nan 0.000 0.488 511 I N -0.254 120.260 120.570 -0.094 0.000 2.918 511 I HA 0.631 4.801 4.170 -0.001 0.000 0.316 511 I C 0.296 176.395 176.117 -0.030 0.000 1.001 511 I CA -1.040 60.189 61.300 -0.117 0.000 1.142 511 I CB 0.621 38.454 38.000 -0.278 0.000 1.356 511 I HN 0.540 nan 8.210 nan 0.000 0.524 512 C N 3.980 123.222 119.300 -0.097 0.000 2.563 512 C HA -0.007 4.453 4.460 -0.001 0.000 0.411 512 C C 2.059 177.032 174.990 -0.027 0.000 1.386 512 C CA -0.279 58.656 59.018 -0.138 0.000 1.703 512 C CB -0.178 27.461 27.740 -0.167 0.000 2.596 512 C HN 0.785 nan 8.230 nan 0.000 0.605 513 M N 2.615 122.225 119.600 0.017 0.000 2.460 513 M HA -0.051 4.429 4.480 -0.001 0.000 0.263 513 M C 1.439 177.794 176.300 0.092 0.000 1.071 513 M CA 1.411 56.781 55.300 0.116 0.000 1.096 513 M CB -0.919 31.809 32.600 0.214 0.000 1.408 513 M HN 0.814 nan 8.290 nan 0.000 0.463 514 D N -0.432 119.978 120.400 0.017 0.000 2.342 514 D HA 0.263 4.902 4.640 -0.001 0.000 0.221 514 D C 0.469 176.772 176.300 0.004 0.000 1.101 514 D CA -0.103 53.900 54.000 0.004 0.000 0.837 514 D CB -0.394 40.394 40.800 -0.020 0.000 0.938 514 D HN 0.068 nan 8.370 nan 0.000 0.508 515 A N 0.548 123.371 122.820 0.005 0.000 2.386 515 A HA 0.518 4.838 4.320 -0.001 0.000 0.248 515 A C 0.342 177.941 177.584 0.025 0.000 1.082 515 A CA -0.342 51.699 52.037 0.006 0.000 0.789 515 A CB 0.590 19.585 19.000 -0.009 0.000 1.025 515 A HN 0.441 nan 8.150 nan 0.000 0.490 516 V N -0.029 119.900 119.914 0.026 0.000 2.604 516 V HA 0.757 4.877 4.120 -0.001 0.000 0.305 516 V C -0.567 175.543 176.094 0.027 0.000 1.043 516 V CA -0.671 61.648 62.300 0.031 0.000 0.888 516 V CB 1.096 32.935 31.823 0.026 0.000 0.995 516 V HN 0.988 nan 8.190 nan 0.000 0.429 517 Q N 1.901 121.719 119.800 0.029 0.000 2.552 517 Q HA 0.415 4.754 4.340 -0.001 0.000 0.289 517 Q C 0.809 176.816 176.000 0.011 0.000 1.097 517 Q CA -0.650 55.150 55.803 -0.005 0.000 0.812 517 Q CB 2.193 30.916 28.738 -0.026 0.000 1.460 517 Q HN 0.868 nan 8.270 nan 0.000 0.452 518 N N -0.050 118.622 118.700 -0.047 0.000 2.104 518 N HA -0.159 4.580 4.740 -0.001 0.000 0.190 518 N C 0.730 176.356 175.510 0.193 0.000 1.024 518 N CA 1.461 54.517 53.050 0.010 0.000 0.853 518 N CB 0.153 38.590 38.487 -0.082 0.000 1.008 518 N HN 0.550 nan 8.380 nan 0.000 0.424 519 W N 0.702 122.019 121.300 0.028 0.000 2.678 519 W HA 0.296 4.955 4.660 -0.001 0.000 0.256 519 W C 1.378 177.958 176.519 0.101 0.000 1.280 519 W CA 0.916 58.301 57.345 0.067 0.000 1.345 519 W CB -0.808 28.695 29.460 0.073 0.000 1.118 519 W HN 0.212 nan 8.180 nan 0.000 0.629 520 G N -0.492 108.460 108.800 0.253 0.000 2.320 520 G HA2 -0.008 3.952 3.960 -0.001 0.000 0.274 520 G HA3 -0.008 3.952 3.960 -0.001 0.000 0.274 520 G C -1.079 173.870 174.900 0.083 0.000 1.324 520 G CA -1.250 43.943 45.100 0.155 0.000 0.957 520 G HN -0.146 nan 8.290 nan 0.000 0.481 521 K N 0.153 120.577 120.400 0.041 0.000 2.382 521 K HA 0.284 4.603 4.320 -0.001 0.000 0.275 521 K C 1.361 177.994 176.600 0.056 0.000 1.009 521 K CA 0.083 56.396 56.287 0.044 0.000 0.970 521 K CB 1.307 33.832 32.500 0.042 0.000 0.934 521 K HN 0.571 nan 8.250 nan 0.000 0.479 522 Q N 2.214 122.064 119.800 0.083 0.000 2.152 522 Q HA -0.277 4.063 4.340 -0.001 0.000 0.206 522 Q C 1.451 177.552 176.000 0.168 0.000 0.985 522 Q CA 1.781 57.653 55.803 0.115 0.000 0.863 522 Q CB -0.369 28.429 28.738 0.099 0.000 0.904 522 Q HN 0.717 nan 8.270 nan 0.000 0.422 523 Y N 0.597 120.916 120.300 0.031 0.000 2.139 523 Y HA -0.314 4.236 4.550 -0.001 0.000 0.282 523 Y C 1.500 177.394 175.900 -0.009 0.000 1.179 523 Y CA 2.402 60.519 58.100 0.029 0.000 1.161 523 Y CB -0.056 38.389 38.460 -0.025 0.000 0.970 523 Y HN 0.277 nan 8.280 nan 0.000 0.511 524 D N -1.175 119.211 120.400 -0.023 0.000 2.216 524 D HA -0.062 4.578 4.640 -0.001 0.000 0.208 524 D C 1.862 177.947 176.300 -0.359 0.000 0.960 524 D CA 1.653 55.383 54.000 -0.450 0.000 0.861 524 D CB -0.140 39.929 40.800 -1.218 0.000 0.985 524 D HN 0.400 nan 8.370 nan 0.000 0.493 525 V N -1.242 118.589 119.914 -0.138 0.000 3.483 525 V HA 0.120 4.240 4.120 -0.001 0.000 0.301 525 V C 1.906 178.027 176.094 0.045 0.000 1.389 525 V CA -0.011 62.292 62.300 0.005 0.000 1.101 525 V CB -0.159 31.751 31.823 0.145 0.000 0.971 525 V HN 0.141 nan 8.190 nan 0.000 0.434 526 H N 2.078 121.125 119.070 -0.039 0.000 2.289 526 H HA -0.175 4.381 4.556 -0.001 0.000 0.294 526 H C 1.881 177.118 175.328 -0.151 0.000 1.095 526 H CA 2.452 58.437 56.048 -0.104 0.000 1.256 526 H CB -0.183 29.460 29.762 -0.197 0.000 1.359 526 H HN 0.542 nan 8.280 nan 0.000 0.487 527 S N 0.307 115.899 115.700 -0.180 0.000 2.603 527 S HA 0.065 4.534 4.470 -0.001 0.000 0.229 527 S C 1.968 176.475 174.600 -0.155 0.000 0.972 527 S CA 0.156 58.251 58.200 -0.175 0.000 0.935 527 S CB 0.029 63.191 63.200 -0.064 0.000 0.769 527 S HN 0.365 nan 8.310 nan 0.000 0.536 528 L N -0.842 120.291 121.223 -0.150 0.000 2.640 528 L HA 0.211 4.551 4.340 -0.001 0.000 0.230 528 L C 1.718 178.652 176.870 0.107 0.000 1.123 528 L CA 0.129 54.943 54.840 -0.043 0.000 0.900 528 L CB -0.311 41.772 42.059 0.040 0.000 1.146 528 L HN 0.263 nan 8.230 nan 0.000 0.484 529 Y N 1.610 121.865 120.300 -0.075 0.000 2.053 529 Y HA -0.265 4.285 4.550 -0.001 0.000 0.277 529 Y C 2.388 178.267 175.900 -0.036 0.000 1.159 529 Y CA 2.107 60.165 58.100 -0.069 0.000 1.125 529 Y CB -0.309 38.063 38.460 -0.147 0.000 0.969 529 Y HN 0.129 nan 8.280 nan 0.000 0.492 530 G N -1.434 107.480 108.800 0.190 0.000 2.418 530 G HA2 -0.370 3.590 3.960 -0.001 0.000 0.217 530 G HA3 -0.370 3.590 3.960 -0.001 0.000 0.217 530 G C 1.532 176.455 174.900 0.040 0.000 1.158 530 G CA 0.984 46.152 45.100 0.115 0.000 0.771 530 G HN 0.590 nan 8.290 nan 0.000 0.545 531 Y N 2.859 123.163 120.300 0.005 0.000 2.040 531 Y HA -0.314 4.235 4.550 -0.001 0.000 0.275 531 Y C 3.174 179.005 175.900 -0.115 0.000 1.171 531 Y CA 2.588 60.696 58.100 0.013 0.000 1.123 531 Y CB -0.606 37.917 38.460 0.105 0.000 0.963 531 Y HN 0.322 nan 8.280 nan 0.000 0.493 532 S N -0.082 115.504 115.700 -0.189 0.000 2.399 532 S HA -0.301 4.168 4.470 -0.001 0.000 0.231 532 S C 2.190 176.460 174.600 -0.550 0.000 1.022 532 S CA 1.490 59.435 58.200 -0.426 0.000 0.983 532 S CB -0.848 62.030 63.200 -0.537 0.000 0.803 532 S HN 0.707 nan 8.310 nan 0.000 0.480 533 M N 1.294 120.512 119.600 -0.636 0.000 2.229 533 M HA 0.071 4.550 4.480 -0.001 0.000 0.264 533 M C 2.253 178.124 176.300 -0.714 0.000 1.063 533 M CA 1.435 56.098 55.300 -1.063 0.000 1.114 533 M CB -0.453 31.537 32.600 -1.016 0.000 1.387 533 M HN 0.514 nan 8.290 nan 0.000 0.420 534 A N 0.655 123.210 122.820 -0.443 0.000 1.929 534 A HA -0.083 4.237 4.320 -0.001 0.000 0.216 534 A C 1.940 179.316 177.584 -0.345 0.000 1.176 534 A CA 1.270 53.134 52.037 -0.288 0.000 0.628 534 A CB -0.838 18.072 19.000 -0.149 0.000 0.816 534 A HN 0.583 nan 8.150 nan 0.000 0.444 535 I N -0.132 120.098 120.570 -0.566 0.000 2.179 535 I HA -0.303 3.867 4.170 -0.001 0.000 0.242 535 I C 2.964 178.903 176.117 -0.296 0.000 1.088 535 I CA 1.170 62.119 61.300 -0.584 0.000 1.357 535 I CB -0.330 37.247 38.000 -0.704 0.000 1.051 535 I HN 0.361 nan 8.210 nan 0.000 0.409 536 A N 0.163 122.794 122.820 -0.316 0.000 1.933 536 A HA -0.181 4.139 4.320 -0.001 0.000 0.218 536 A C 2.336 179.936 177.584 0.027 0.000 1.175 536 A CA 2.321 54.263 52.037 -0.160 0.000 0.628 536 A CB -0.950 17.884 19.000 -0.276 0.000 0.814 536 A HN 0.410 nan 8.150 nan 0.000 0.444 537 T N -0.748 113.788 114.554 -0.029 0.000 2.942 537 T HA -0.065 4.284 4.350 -0.001 0.000 0.265 537 T C 1.783 176.559 174.700 0.127 0.000 1.062 537 T CA 1.184 63.406 62.100 0.203 0.000 1.139 537 T CB -0.106 68.862 68.868 0.167 0.000 0.883 537 T HN 0.715 nan 8.240 nan 0.000 0.468 538 E N 1.228 121.450 120.200 0.037 0.000 2.110 538 E HA -0.192 4.157 4.350 -0.001 0.000 0.193 538 E C 2.158 178.803 176.600 0.075 0.000 0.988 538 E CA 1.030 57.463 56.400 0.055 0.000 0.804 538 E CB -0.001 29.728 29.700 0.048 0.000 0.745 538 E HN 0.553 nan 8.360 nan 0.000 0.458 539 Q N -0.212 119.626 119.800 0.063 0.000 2.123 539 Q HA -0.077 4.263 4.340 -0.001 0.000 0.199 539 Q C 2.193 178.248 176.000 0.091 0.000 0.966 539 Q CA 1.044 56.890 55.803 0.071 0.000 0.845 539 Q CB -0.057 28.715 28.738 0.057 0.000 0.907 539 Q HN 0.322 nan 8.270 nan 0.000 0.439 540 A N 0.510 123.410 122.820 0.135 0.000 1.883 540 A HA -0.170 4.150 4.320 -0.001 0.000 0.217 540 A C 2.334 179.977 177.584 0.098 0.000 1.186 540 A CA 1.457 53.557 52.037 0.106 0.000 0.624 540 A CB -0.876 18.200 19.000 0.127 0.000 0.822 540 A HN 0.216 nan 8.150 nan 0.000 0.444 541 V N 0.089 120.105 119.914 0.171 0.000 2.332 541 V HA -0.297 3.823 4.120 -0.001 0.000 0.248 541 V C 2.740 178.959 176.094 0.209 0.000 1.055 541 V CA 2.157 64.621 62.300 0.275 0.000 1.038 541 V CB -0.733 31.248 31.823 0.264 0.000 0.651 541 V HN 0.559 nan 8.190 nan 0.000 0.450 542 Q N -0.167 119.707 119.800 0.124 0.000 2.181 542 Q HA -0.203 4.137 4.340 -0.001 0.000 0.205 542 Q C 2.283 178.303 176.000 0.033 0.000 0.980 542 Q CA 1.489 57.340 55.803 0.081 0.000 0.862 542 Q CB -0.219 28.556 28.738 0.061 0.000 0.905 542 Q HN 0.651 nan 8.270 nan 0.000 0.429 543 K N -0.440 119.960 120.400 0.001 0.000 2.098 543 K HA 0.009 4.329 4.320 -0.001 0.000 0.203 543 K C 2.185 178.695 176.600 -0.150 0.000 1.051 543 K CA 0.848 57.102 56.287 -0.055 0.000 0.957 543 K CB 0.109 32.579 32.500 -0.050 0.000 0.738 543 K HN 0.010 nan 8.250 nan 0.000 0.447 544 V N 0.738 120.505 119.914 -0.245 0.000 2.379 544 V HA -0.120 4.000 4.120 -0.001 0.000 0.245 544 V C 0.731 176.299 176.094 -0.877 0.000 1.044 544 V CA 1.338 63.253 62.300 -0.643 0.000 1.036 544 V CB -0.314 30.989 31.823 -0.866 0.000 0.664 544 V HN 0.113 nan 8.190 nan 0.000 0.453 545 F N 0.352 120.220 119.950 -0.137 0.000 2.550 545 F HA 0.475 5.002 4.527 -0.001 0.000 0.348 545 F C -2.675 173.099 175.800 -0.045 0.000 1.219 545 F CA -2.772 55.166 58.000 -0.103 0.000 1.203 545 F CB 0.144 39.104 39.000 -0.067 0.000 1.436 545 F HN -0.016 nan 8.300 nan 0.000 0.541 546 P HA -0.044 nan 4.420 nan 0.000 0.260 546 P C 0.507 177.849 177.300 0.071 0.000 1.185 546 P CA 0.794 63.926 63.100 0.054 0.000 0.763 546 P CB 0.358 32.068 31.700 0.017 0.000 0.776 547 N N 1.012 119.752 118.700 0.067 0.000 2.741 547 N HA -0.172 4.568 4.740 -0.001 0.000 0.251 547 N C -0.583 174.961 175.510 0.057 0.000 1.112 547 N CA 1.143 54.226 53.050 0.054 0.000 0.750 547 N CB -0.718 37.795 38.487 0.043 0.000 1.119 547 N HN 0.298 nan 8.380 nan 0.000 0.561 548 K N -0.081 120.370 120.400 0.084 0.000 2.221 548 K HA 0.405 4.725 4.320 -0.001 0.000 0.243 548 K C 1.159 177.780 176.600 0.035 0.000 0.968 548 K CA -0.648 55.676 56.287 0.062 0.000 0.846 548 K CB 0.841 33.387 32.500 0.077 0.000 1.141 548 K HN 0.112 nan 8.250 nan 0.000 0.434 549 R N 0.301 120.799 120.500 -0.005 0.000 2.140 549 R HA -0.008 4.332 4.340 -0.001 0.000 0.213 549 R C 0.993 177.259 176.300 -0.056 0.000 1.059 549 R CA 0.714 56.788 56.100 -0.043 0.000 1.000 549 R CB 0.105 30.351 30.300 -0.090 0.000 0.910 549 R HN 0.887 nan 8.270 nan 0.000 0.455 550 S N -0.581 115.084 115.700 -0.058 0.000 3.949 550 S HA -0.318 4.152 4.470 -0.001 0.000 0.626 550 S C -0.599 174.011 174.600 0.017 0.000 2.168 550 S CA 1.316 59.493 58.200 -0.037 0.000 4.124 550 S CB -0.827 62.231 63.200 -0.236 0.000 0.220 550 S HN 0.277 nan 8.310 nan 0.000 0.750 551 F N 0.770 120.649 119.950 -0.120 0.000 2.639 551 F HA 0.700 5.226 4.527 -0.001 0.000 0.320 551 F C -1.454 174.308 175.800 -0.063 0.000 1.128 551 F CA -0.651 57.221 58.000 -0.213 0.000 1.037 551 F CB 0.853 39.688 39.000 -0.274 0.000 1.288 551 F HN 0.555 nan 8.300 nan 0.000 0.463 552 I N 7.086 127.233 120.570 -0.704 0.000 2.500 552 I HA 0.398 4.567 4.170 -0.001 0.000 0.286 552 I C -1.648 173.936 176.117 -0.889 0.000 1.063 552 I CA -0.876 60.071 61.300 -0.589 0.000 1.062 552 I CB 1.936 39.804 38.000 -0.220 0.000 1.223 552 I HN 0.475 nan 8.210 nan 0.000 0.435 553 L N 6.139 126.858 121.223 -0.840 0.000 2.296 553 L HA 0.674 5.014 4.340 -0.001 0.000 0.286 553 L C -0.271 176.561 176.870 -0.064 0.000 1.023 553 L CA 0.324 54.803 54.840 -0.602 0.000 0.812 553 L CB 1.773 43.373 42.059 -0.765 0.000 1.223 553 L HN 0.599 nan 8.230 nan 0.000 0.421 554 T N 3.822 118.427 114.554 0.084 0.000 2.863 554 T HA 0.404 4.754 4.350 -0.001 0.000 0.285 554 T C 0.763 175.718 174.700 0.426 0.000 1.009 554 T CA -0.457 61.789 62.100 0.244 0.000 0.989 554 T CB 1.527 70.465 68.868 0.117 0.000 1.004 554 T HN 0.830 nan 8.240 nan 0.000 0.455 555 R N 2.225 122.951 120.500 0.378 0.000 2.052 555 R HA 0.193 4.533 4.340 -0.001 0.000 0.224 555 R C 0.862 177.229 176.300 0.113 0.000 1.149 555 R CA 0.531 56.650 56.100 0.032 0.000 0.962 555 R CB -0.289 29.907 30.300 -0.173 0.000 0.856 555 R HN 0.538 nan 8.270 nan 0.000 0.433 556 S N 0.134 115.916 115.700 0.137 0.000 2.537 556 S HA 0.232 4.702 4.470 -0.001 0.000 0.275 556 S C -0.489 174.200 174.600 0.148 0.000 1.272 556 S CA -0.433 57.865 58.200 0.163 0.000 1.050 556 S CB 1.089 64.381 63.200 0.154 0.000 0.961 556 S HN 0.437 nan 8.310 nan 0.000 0.496 557 T N 1.864 116.512 114.554 0.157 0.000 2.883 557 T HA 0.764 5.114 4.350 -0.001 0.000 0.296 557 T C -1.065 173.825 174.700 0.317 0.000 1.117 557 T CA -0.689 61.533 62.100 0.204 0.000 1.006 557 T CB 1.313 70.249 68.868 0.113 0.000 1.191 557 T HN 0.496 nan 8.240 nan 0.000 0.508 558 F N 0.582 120.623 119.950 0.151 0.000 2.650 558 F HA 0.726 5.252 4.527 -0.001 0.000 0.320 558 F C -0.087 175.752 175.800 0.065 0.000 1.091 558 F CA -0.945 57.096 58.000 0.068 0.000 0.962 558 F CB 1.442 40.378 39.000 -0.107 0.000 1.363 558 F HN 1.057 nan 8.300 nan 0.000 0.482 559 A N 1.898 124.305 122.820 -0.688 0.000 2.581 559 A HA 0.362 4.682 4.320 -0.001 0.000 0.257 559 A C 1.195 178.781 177.584 0.004 0.000 1.022 559 A CA 1.349 53.145 52.037 -0.402 0.000 0.812 559 A CB -1.488 17.181 19.000 -0.551 0.000 0.918 559 A HN 2.158 nan 8.150 nan 0.000 0.516 560 G N 1.879 110.656 108.800 -0.039 0.000 2.175 560 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.244 560 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.244 560 G C 1.248 176.265 174.900 0.195 0.000 0.982 560 G CA 0.790 45.926 45.100 0.060 0.000 0.641 560 G HN 1.173 nan 8.290 nan 0.000 0.527 561 S N 0.261 116.144 115.700 0.304 0.000 2.440 561 S HA 0.001 4.470 4.470 -0.001 0.000 0.238 561 S C 2.474 177.159 174.600 0.142 0.000 1.010 561 S CA 1.793 60.205 58.200 0.354 0.000 0.972 561 S CB -0.423 62.978 63.200 0.336 0.000 0.774 561 S HN 1.306 nan 8.310 nan 0.000 0.501 562 G N 1.124 109.959 108.800 0.059 0.000 2.498 562 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.219 562 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.219 562 G C 1.259 176.083 174.900 -0.128 0.000 1.119 562 G CA 0.344 45.444 45.100 0.001 0.000 0.766 562 G HN 0.442 nan 8.290 nan 0.000 0.552 563 R N -0.427 119.893 120.500 -0.301 0.000 2.189 563 R HA -0.052 4.288 4.340 -0.001 0.000 0.223 563 R C 1.593 177.554 176.300 -0.565 0.000 1.092 563 R CA 1.191 56.981 56.100 -0.517 0.000 0.989 563 R CB -0.073 29.772 30.300 -0.758 0.000 0.876 563 R HN 0.502 nan 8.270 nan 0.000 0.457 564 H N -2.519 116.523 119.070 -0.047 0.000 3.091 564 H HA 0.386 4.942 4.556 -0.001 0.000 0.249 564 H C 0.087 175.362 175.328 -0.089 0.000 0.985 564 H CA 0.581 56.587 56.048 -0.070 0.000 1.177 564 H CB 0.941 30.645 29.762 -0.097 0.000 1.456 564 H HN 0.179 nan 8.280 nan 0.000 0.467 565 A N 0.837 123.665 122.820 0.013 0.000 2.594 565 A HA 0.719 5.039 4.320 -0.001 0.000 0.291 565 A C -0.801 176.731 177.584 -0.086 0.000 1.105 565 A CA -0.130 51.865 52.037 -0.070 0.000 0.694 565 A CB 1.281 20.252 19.000 -0.048 0.000 1.291 565 A HN 0.248 nan 8.150 nan 0.000 0.410 566 A N -0.009 122.682 122.820 -0.216 0.000 2.287 566 A HA 0.689 5.009 4.320 -0.001 0.000 0.273 566 A C -0.233 177.281 177.584 -0.117 0.000 1.091 566 A CA 0.110 52.019 52.037 -0.212 0.000 0.817 566 A CB 0.238 18.985 19.000 -0.421 0.000 1.069 566 A HN 1.542 nan 8.150 nan 0.000 0.492 567 H N -1.408 117.534 119.070 -0.213 0.000 2.895 567 H HA 0.582 5.137 4.556 -0.001 0.000 0.373 567 H C -1.242 174.029 175.328 -0.095 0.000 1.174 567 H CA -0.773 55.177 56.048 -0.163 0.000 1.144 567 H CB 1.162 30.759 29.762 -0.275 0.000 1.793 567 H HN 0.874 nan 8.280 nan 0.000 0.551 568 W N 5.027 125.760 121.300 -0.945 0.000 2.882 568 W HA 0.441 5.100 4.660 -0.001 0.000 0.345 568 W C -0.924 175.047 176.519 -0.915 0.000 1.125 568 W CA -1.146 55.787 57.345 -0.686 0.000 1.167 568 W CB 0.939 30.224 29.460 -0.291 0.000 1.431 568 W HN 0.491 nan 8.180 nan 0.000 0.543 569 L N 3.437 124.262 121.223 -0.662 0.000 2.610 569 L HA 0.301 4.641 4.340 -0.001 0.000 0.232 569 L C 1.155 177.722 176.870 -0.506 0.000 1.149 569 L CA 1.018 55.548 54.840 -0.516 0.000 0.872 569 L CB -1.253 40.722 42.059 -0.141 0.000 0.992 569 L HN 0.989 nan 8.230 nan 0.000 0.447 570 G N -0.018 108.112 108.800 -1.118 0.000 2.526 570 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.250 570 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.250 570 G C -0.881 173.922 174.900 -0.161 0.000 1.289 570 G CA -0.682 43.907 45.100 -0.851 0.000 0.947 570 G HN 0.103 nan 8.290 nan 0.000 0.517 571 D N 2.239 122.625 120.400 -0.023 0.000 2.597 571 D HA 0.235 4.875 4.640 -0.001 0.000 0.228 571 D C 1.335 177.830 176.300 0.325 0.000 1.120 571 D CA 0.235 54.213 54.000 -0.037 0.000 1.083 571 D CB -0.555 40.260 40.800 0.025 0.000 1.116 571 D HN 0.644 nan 8.370 nan 0.000 0.487 572 N N -0.263 118.637 118.700 0.333 0.000 2.290 572 N HA 0.156 4.896 4.740 -0.001 0.000 0.269 572 N C -0.181 175.558 175.510 0.381 0.000 1.295 572 N CA -0.184 53.084 53.050 0.364 0.000 0.932 572 N CB 0.316 39.021 38.487 0.364 0.000 1.128 572 N HN -0.134 nan 8.380 nan 0.000 0.532 573 T N -1.179 113.561 114.554 0.309 0.000 2.893 573 T HA 0.645 4.994 4.350 -0.001 0.000 0.291 573 T C -0.486 174.336 174.700 0.204 0.000 1.028 573 T CA -0.544 61.676 62.100 0.200 0.000 0.995 573 T CB 1.406 70.375 68.868 0.169 0.000 1.051 573 T HN 0.710 nan 8.240 nan 0.000 0.470 574 A N 2.883 125.752 122.820 0.082 0.000 2.981 574 A HA 0.508 4.827 4.320 -0.001 0.000 0.280 574 A C 0.650 178.289 177.584 0.092 0.000 1.797 574 A CA -0.377 51.725 52.037 0.109 0.000 1.456 574 A CB -1.103 17.879 19.000 -0.029 0.000 1.057 574 A HN 0.801 nan 8.150 nan 0.000 0.602 575 S N -0.657 115.109 115.700 0.110 0.000 2.569 575 S HA 0.518 4.988 4.470 -0.001 0.000 0.280 575 S C 0.256 174.747 174.600 -0.181 0.000 1.111 575 S CA -0.821 57.375 58.200 -0.007 0.000 0.887 575 S CB 0.548 63.748 63.200 -0.000 0.000 1.095 575 S HN 0.510 nan 8.310 nan 0.000 0.476 576 W N 1.197 122.408 121.300 -0.149 0.000 2.335 576 W HA -0.010 4.650 4.660 -0.001 0.000 0.311 576 W C 2.338 178.607 176.519 -0.417 0.000 1.213 576 W CA 1.589 58.781 57.345 -0.256 0.000 1.274 576 W CB -0.551 28.809 29.460 -0.166 0.000 1.148 576 W HN 0.864 nan 8.180 nan 0.000 0.498 577 E N -0.090 119.950 120.200 -0.266 0.000 2.065 577 E HA -0.306 4.043 4.350 -0.001 0.000 0.201 577 E C 2.145 177.944 176.600 -1.335 0.000 1.016 577 E CA 1.759 57.678 56.400 -0.803 0.000 0.818 577 E CB -0.457 28.688 29.700 -0.925 0.000 0.749 577 E HN 0.416 nan 8.360 nan 0.000 0.453 578 Q N -0.158 119.107 119.800 -0.890 0.000 2.124 578 Q HA -0.161 4.178 4.340 -0.001 0.000 0.202 578 Q C 2.176 177.973 176.000 -0.339 0.000 0.977 578 Q CA 1.023 56.546 55.803 -0.467 0.000 0.850 578 Q CB -0.196 28.547 28.738 0.008 0.000 0.901 578 Q HN 0.398 nan 8.270 nan 0.000 0.429 579 M N 0.753 119.901 119.600 -0.752 0.000 2.086 579 M HA -0.225 4.255 4.480 -0.001 0.000 0.261 579 M C 2.100 178.111 176.300 -0.483 0.000 1.067 579 M CA 1.682 56.295 55.300 -1.145 0.000 1.116 579 M CB -0.069 31.512 32.600 -1.697 0.000 1.348 579 M HN 0.138 nan 8.290 nan 0.000 0.407 580 E N -0.329 119.651 120.200 -0.368 0.000 2.058 580 E HA -0.244 4.106 4.350 -0.001 0.000 0.194 580 E C 1.643 178.301 176.600 0.097 0.000 0.997 580 E CA 1.829 58.156 56.400 -0.121 0.000 0.801 580 E CB -0.232 29.413 29.700 -0.092 0.000 0.746 580 E HN 0.685 nan 8.360 nan 0.000 0.450 581 W N 1.017 122.334 121.300 0.027 0.000 2.465 581 W HA -0.057 4.602 4.660 -0.001 0.000 0.268 581 W C 2.680 179.239 176.519 0.066 0.000 1.242 581 W CA 1.127 58.510 57.345 0.063 0.000 1.248 581 W CB -1.225 28.287 29.460 0.086 0.000 1.118 581 W HN 0.240 nan 8.180 nan 0.000 0.587 582 S N 0.107 115.967 115.700 0.266 0.000 2.442 582 S HA -0.167 4.302 4.470 -0.001 0.000 0.236 582 S C 1.742 176.426 174.600 0.140 0.000 1.007 582 S CA 1.139 59.471 58.200 0.220 0.000 0.965 582 S CB -0.762 62.621 63.200 0.304 0.000 0.773 582 S HN 0.244 nan 8.310 nan 0.000 0.504 583 I N 1.532 122.175 120.570 0.122 0.000 2.233 583 I HA -0.120 4.050 4.170 -0.001 0.000 0.243 583 I C 2.828 178.914 176.117 -0.050 0.000 1.093 583 I CA 1.421 62.722 61.300 0.001 0.000 1.380 583 I CB -0.891 37.132 38.000 0.038 0.000 1.067 583 I HN 0.293 nan 8.210 nan 0.000 0.413 584 T N 0.523 115.108 114.554 0.051 0.000 2.708 584 T HA -0.129 4.221 4.350 -0.001 0.000 0.266 584 T C 1.953 176.689 174.700 0.059 0.000 1.037 584 T CA 1.589 63.726 62.100 0.063 0.000 1.146 584 T CB -0.759 68.213 68.868 0.173 0.000 0.865 584 T HN 0.579 nan 8.240 nan 0.000 0.435 585 G N 1.438 110.297 108.800 0.097 0.000 2.476 585 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.218 585 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.218 585 G C 1.576 176.577 174.900 0.168 0.000 1.164 585 G CA 1.158 46.343 45.100 0.142 0.000 0.768 585 G HN 0.476 nan 8.290 nan 0.000 0.560 586 M N 0.028 119.656 119.600 0.046 0.000 2.086 586 M HA 0.017 4.497 4.480 -0.001 0.000 0.261 586 M C 2.479 178.754 176.300 -0.041 0.000 1.067 586 M CA 1.433 56.733 55.300 0.001 0.000 1.116 586 M CB -0.234 32.299 32.600 -0.113 0.000 1.348 586 M HN 0.225 nan 8.290 nan 0.000 0.407 587 L N 0.011 121.122 121.223 -0.187 0.000 2.131 587 L HA -0.186 4.153 4.340 -0.001 0.000 0.210 587 L C 2.204 178.939 176.870 -0.225 0.000 1.092 587 L CA 1.328 55.967 54.840 -0.335 0.000 0.759 587 L CB -0.791 40.801 42.059 -0.779 0.000 0.903 587 L HN 0.386 nan 8.230 nan 0.000 0.435 588 E N -0.063 120.055 120.200 -0.137 0.000 2.077 588 E HA -0.207 4.143 4.350 -0.001 0.000 0.193 588 E C 2.089 178.135 176.600 -0.923 0.000 0.989 588 E CA 1.345 57.494 56.400 -0.417 0.000 0.800 588 E CB -0.143 29.387 29.700 -0.283 0.000 0.746 588 E HN 0.331 nan 8.360 nan 0.000 0.452 589 F N 0.951 120.714 119.950 -0.312 0.000 2.216 589 F HA -0.182 4.345 4.527 -0.001 0.000 0.300 589 F C 2.563 178.335 175.800 -0.046 0.000 1.085 589 F CA 0.938 58.906 58.000 -0.054 0.000 1.326 589 F CB -0.212 38.886 39.000 0.165 0.000 1.027 589 F HN -0.089 nan 8.300 nan 0.000 0.497 590 S N 0.525 116.237 115.700 0.020 0.000 2.359 590 S HA -0.189 4.280 4.470 -0.001 0.000 0.224 590 S C 2.149 176.744 174.600 -0.008 0.000 1.035 590 S CA 1.271 59.464 58.200 -0.012 0.000 1.018 590 S CB -0.598 62.551 63.200 -0.085 0.000 0.876 590 S HN 0.314 nan 8.310 nan 0.000 0.448 591 L N -0.103 121.060 121.223 -0.099 0.000 2.131 591 L HA -0.075 4.265 4.340 -0.001 0.000 0.210 591 L C 1.738 178.701 176.870 0.155 0.000 1.092 591 L CA 1.050 55.914 54.840 0.039 0.000 0.759 591 L CB -0.658 41.393 42.059 -0.013 0.000 0.903 591 L HN 0.283 nan 8.230 nan 0.000 0.435 592 F N 0.307 120.294 119.950 0.062 0.000 2.811 592 F HA 0.223 4.750 4.527 -0.001 0.000 0.301 592 F C 1.835 177.712 175.800 0.129 0.000 1.151 592 F CA 0.182 58.202 58.000 0.032 0.000 1.412 592 F CB -1.022 37.866 39.000 -0.187 0.000 1.113 592 F HN 0.198 nan 8.300 nan 0.000 0.579 593 G N 1.101 110.048 108.800 0.245 0.000 2.149 593 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.235 593 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.235 593 G C 0.142 175.112 174.900 0.118 0.000 1.018 593 G CA -0.046 45.122 45.100 0.112 0.000 0.728 593 G HN 0.361 nan 8.290 nan 0.000 0.508 594 I N 0.930 121.630 120.570 0.217 0.000 2.697 594 I HA 0.207 4.377 4.170 -0.001 0.000 0.279 594 I C -1.143 175.106 176.117 0.220 0.000 1.171 594 I CA -2.146 59.302 61.300 0.247 0.000 1.135 594 I CB 1.430 39.683 38.000 0.422 0.000 1.445 594 I HN -0.079 nan 8.210 nan 0.000 0.541 595 P HA -0.082 nan 4.420 nan 0.000 0.222 595 P C 0.594 178.052 177.300 0.263 0.000 1.153 595 P CA 0.551 63.716 63.100 0.108 0.000 0.798 595 P CB 0.626 32.293 31.700 -0.054 0.000 0.796 596 L N 1.106 122.539 121.223 0.349 0.000 2.328 596 L HA 0.387 4.727 4.340 -0.001 0.000 0.280 596 L C -0.515 176.459 176.870 0.173 0.000 1.111 596 L CA -0.277 54.750 54.840 0.312 0.000 0.909 596 L CB 0.004 42.133 42.059 0.117 0.000 1.277 596 L HN -0.262 nan 8.230 nan 0.000 0.433 597 V N 4.127 124.184 119.914 0.238 0.000 2.932 597 V HA 1.003 5.123 4.120 -0.001 0.000 0.307 597 V C -0.261 175.950 176.094 0.195 0.000 1.147 597 V CA 0.377 62.768 62.300 0.151 0.000 0.951 597 V CB 1.925 33.810 31.823 0.104 0.000 1.031 597 V HN 0.751 nan 8.190 nan 0.000 0.426 598 G N 3.171 112.054 108.800 0.138 0.000 2.682 598 G HA2 0.916 4.876 3.960 -0.001 0.000 0.303 598 G HA3 0.916 4.876 3.960 -0.001 0.000 0.303 598 G C -1.215 173.525 174.900 -0.268 0.000 1.341 598 G CA -0.124 44.836 45.100 -0.232 0.000 0.784 598 G HN 1.539 nan 8.290 nan 0.000 0.497 599 A N -0.514 121.984 122.820 -0.536 0.000 2.384 599 A HA 0.700 5.020 4.320 -0.001 0.000 0.312 599 A C -1.022 176.642 177.584 0.134 0.000 1.113 599 A CA -0.603 51.405 52.037 -0.048 0.000 0.779 599 A CB 1.211 20.275 19.000 0.108 0.000 1.307 599 A HN 0.430 nan 8.150 nan 0.000 0.436 600 D N 1.756 122.280 120.400 0.207 0.000 2.368 600 D HA 0.170 4.809 4.640 -0.001 0.000 0.268 600 D C 0.174 176.309 176.300 -0.276 0.000 1.298 600 D CA 0.870 54.922 54.000 0.086 0.000 0.938 600 D CB 0.039 40.984 40.800 0.240 0.000 1.101 600 D HN 0.382 nan 8.370 nan 0.000 0.509 601 I N 1.863 122.271 120.570 -0.271 0.000 2.683 601 I HA -0.127 4.043 4.170 -0.001 0.000 0.286 601 I C 1.109 176.725 176.117 -0.836 0.000 1.175 601 I CA -0.130 60.759 61.300 -0.684 0.000 1.429 601 I CB 0.359 38.299 38.000 -0.099 0.000 1.371 601 I HN 0.604 nan 8.210 nan 0.000 0.569 602 c N 3.746 121.528 118.600 -1.364 0.000 5.467 602 c HA -0.112 4.458 4.570 -0.001 0.000 0.269 602 c C 0.866 174.588 174.090 -0.613 0.000 1.868 602 c CA 0.204 56.182 56.329 -0.584 0.000 1.676 602 c CB -2.557 39.853 42.510 -0.167 0.000 2.513 602 c HN 1.564 nan 8.230 nan 0.000 0.533 603 G N -1.002 107.237 108.800 -0.936 0.000 3.209 603 G HA2 0.110 4.069 3.960 -0.001 0.000 0.686 603 G HA3 0.110 4.069 3.960 -0.001 0.000 0.686 603 G C -0.324 174.502 174.900 -0.124 0.000 1.065 603 G CA 0.059 44.916 45.100 -0.406 0.000 0.812 603 G HN 1.162 nan 8.290 nan 0.000 0.573 604 F N 3.228 123.117 119.950 -0.102 0.000 2.009 604 F HA 0.270 4.797 4.527 -0.001 0.000 0.293 604 F C 1.781 177.533 175.800 -0.081 0.000 1.156 604 F CA 1.824 59.805 58.000 -0.032 0.000 1.168 604 F CB -0.407 38.683 39.000 0.150 0.000 0.981 604 F HN 0.532 nan 8.300 nan 0.000 0.475 605 V N 1.676 121.507 119.914 -0.139 0.000 2.843 605 V HA 0.389 4.508 4.120 -0.001 0.000 0.305 605 V C 0.332 176.074 176.094 -0.587 0.000 1.065 605 V CA -0.401 61.659 62.300 -0.400 0.000 1.116 605 V CB -0.395 31.414 31.823 -0.023 0.000 0.968 605 V HN 0.867 nan 8.190 nan 0.000 0.487 606 A N 2.926 124.988 122.820 -1.263 0.000 2.435 606 A HA -0.100 4.220 4.320 -0.001 0.000 0.686 606 A C -0.041 177.111 177.584 -0.720 0.000 0.138 606 A CA 0.264 51.732 52.037 -0.949 0.000 0.024 606 A CB -0.749 18.060 19.000 -0.318 0.000 3.974 606 A HN 1.076 nan 8.150 nan 0.000 0.548 607 E N 0.808 120.826 120.200 -0.302 0.000 2.324 607 E HA 0.415 4.765 4.350 -0.001 0.000 0.271 607 E C 0.758 177.344 176.600 -0.024 0.000 1.028 607 E CA 0.550 56.914 56.400 -0.060 0.000 0.890 607 E CB 0.673 30.417 29.700 0.074 0.000 1.004 607 E HN 0.877 nan 8.360 nan 0.000 0.431 608 T N 2.299 116.864 114.554 0.018 0.000 2.770 608 T HA 0.254 4.604 4.350 -0.001 0.000 0.281 608 T C -0.056 174.736 174.700 0.153 0.000 0.981 608 T CA -0.061 62.080 62.100 0.069 0.000 0.955 608 T CB 0.833 69.745 68.868 0.074 0.000 1.060 608 T HN 0.671 nan 8.240 nan 0.000 0.531 609 T N -0.646 113.996 114.554 0.146 0.000 2.942 609 T HA 0.436 4.785 4.350 -0.001 0.000 0.289 609 T C 1.043 175.836 174.700 0.155 0.000 1.044 609 T CA -0.798 61.419 62.100 0.195 0.000 1.023 609 T CB 1.589 70.570 68.868 0.188 0.000 1.123 609 T HN 0.586 nan 8.240 nan 0.000 0.512 610 E N 0.566 120.875 120.200 0.181 0.000 2.085 610 E HA -0.247 4.102 4.350 -0.001 0.000 0.194 610 E C 1.571 178.116 176.600 -0.093 0.000 0.994 610 E CA 1.860 58.223 56.400 -0.063 0.000 0.801 610 E CB -0.088 29.660 29.700 0.079 0.000 0.743 610 E HN 0.908 nan 8.360 nan 0.000 0.453 611 E N -0.123 120.120 120.200 0.071 0.000 2.046 611 E HA -0.170 4.179 4.350 -0.001 0.000 0.190 611 E C 2.432 179.097 176.600 0.109 0.000 0.982 611 E CA 0.820 57.313 56.400 0.156 0.000 0.800 611 E CB -0.152 29.733 29.700 0.309 0.000 0.756 611 E HN 0.195 nan 8.360 nan 0.000 0.449 612 L N 1.050 122.258 121.223 -0.025 0.000 1.989 612 L HA -0.188 4.151 4.340 -0.001 0.000 0.211 612 L C 2.561 179.288 176.870 -0.237 0.000 1.071 612 L CA 1.974 56.480 54.840 -0.556 0.000 0.749 612 L CB -0.961 40.736 42.059 -0.604 0.000 0.890 612 L HN 0.375 nan 8.230 nan 0.000 0.431 613 c N -0.121 118.404 118.600 -0.125 0.000 2.429 613 c HA -0.161 4.408 4.570 -0.001 0.000 0.277 613 c C 3.076 177.094 174.090 -0.120 0.000 1.262 613 c CA 1.152 57.422 56.329 -0.098 0.000 1.733 613 c CB -0.914 41.484 42.510 -0.186 0.000 2.010 613 c HN 0.691 nan 8.230 nan 0.000 0.483 614 R N 0.070 120.459 120.500 -0.184 0.000 2.083 614 R HA -0.129 4.211 4.340 -0.001 0.000 0.237 614 R C 2.449 178.723 176.300 -0.044 0.000 1.137 614 R CA 1.664 57.694 56.100 -0.116 0.000 0.951 614 R CB -0.277 29.966 30.300 -0.095 0.000 0.851 614 R HN 0.410 nan 8.270 nan 0.000 0.434 615 R N -0.282 120.197 120.500 -0.036 0.000 2.092 615 R HA -0.158 4.182 4.340 -0.001 0.000 0.231 615 R C 1.937 178.223 176.300 -0.024 0.000 1.119 615 R CA 0.986 57.067 56.100 -0.032 0.000 0.970 615 R CB -0.896 29.409 30.300 0.008 0.000 0.864 615 R HN 0.464 nan 8.270 nan 0.000 0.440 616 W N 1.018 122.200 121.300 -0.197 0.000 2.388 616 W HA -0.040 4.620 4.660 -0.001 0.000 0.294 616 W C 1.769 178.211 176.519 -0.128 0.000 1.212 616 W CA 0.747 57.998 57.345 -0.156 0.000 1.271 616 W CB -0.193 29.177 29.460 -0.150 0.000 1.126 616 W HN -0.012 nan 8.180 nan 0.000 0.535 617 M N 0.380 120.057 119.600 0.128 0.000 2.159 617 M HA -0.221 4.259 4.480 -0.001 0.000 0.263 617 M C 1.929 178.204 176.300 -0.043 0.000 1.063 617 M CA 1.610 56.912 55.300 0.002 0.000 1.110 617 M CB -1.484 31.082 32.600 -0.056 0.000 1.374 617 M HN 0.147 nan 8.290 nan 0.000 0.411 618 Q N -0.165 119.610 119.800 -0.042 0.000 2.030 618 Q HA -0.216 4.124 4.340 -0.001 0.000 0.204 618 Q C 2.104 178.069 176.000 -0.059 0.000 0.986 618 Q CA 1.500 57.229 55.803 -0.124 0.000 0.843 618 Q CB -0.463 28.139 28.738 -0.227 0.000 0.904 618 Q HN 0.360 nan 8.270 nan 0.000 0.420 619 L N 0.517 121.711 121.223 -0.049 0.000 1.994 619 L HA -0.063 4.277 4.340 -0.001 0.000 0.208 619 L C 2.128 178.897 176.870 -0.168 0.000 1.071 619 L CA 2.463 57.278 54.840 -0.043 0.000 0.745 619 L CB -1.149 40.849 42.059 -0.101 0.000 0.892 619 L HN 0.209 nan 8.230 nan 0.000 0.431 620 G N -1.148 107.505 108.800 -0.245 0.000 2.479 620 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.220 620 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.220 620 G C 1.542 176.350 174.900 -0.154 0.000 1.115 620 G CA 0.706 45.553 45.100 -0.422 0.000 0.757 620 G HN 0.700 nan 8.290 nan 0.000 0.560 621 A N -0.097 122.604 122.820 -0.199 0.000 2.125 621 A HA 0.243 4.562 4.320 -0.001 0.000 0.219 621 A C 1.458 178.711 177.584 -0.551 0.000 1.156 621 A CA 0.745 52.545 52.037 -0.396 0.000 0.671 621 A CB -0.309 18.335 19.000 -0.593 0.000 0.794 621 A HN 0.346 nan 8.150 nan 0.000 0.459 622 F N -2.590 117.432 119.950 0.120 0.000 2.683 622 F HA 0.320 4.847 4.527 -0.001 0.000 0.306 622 F C -0.325 175.921 175.800 0.743 0.000 1.102 622 F CA -1.147 57.049 58.000 0.327 0.000 1.244 622 F CB 0.036 38.954 39.000 -0.137 0.000 1.029 622 F HN 0.022 nan 8.300 nan 0.000 0.545 623 Y N 2.074 122.727 120.300 0.589 0.000 2.425 623 Y HA 0.166 4.716 4.550 -0.001 0.000 0.331 623 Y C -1.223 174.947 175.900 0.451 0.000 1.157 623 Y CA -3.095 55.275 58.100 0.450 0.000 1.372 623 Y CB -0.053 38.581 38.460 0.290 0.000 1.253 623 Y HN -0.090 nan 8.280 nan 0.000 0.536 624 P HA -0.197 nan 4.420 nan 0.000 0.216 624 P C -0.129 177.412 177.300 0.401 0.000 1.153 624 P CA 1.461 64.784 63.100 0.371 0.000 0.858 624 P CB 0.141 32.030 31.700 0.315 0.000 0.789 625 F N -0.031 120.064 119.950 0.242 0.000 2.361 625 F HA 0.538 5.065 4.527 -0.001 0.000 0.364 625 F C -0.254 175.686 175.800 0.232 0.000 1.117 625 F CA -1.239 56.855 58.000 0.156 0.000 1.071 625 F CB 0.877 39.935 39.000 0.097 0.000 1.188 625 F HN -0.340 nan 8.300 nan 0.000 0.464 626 S N 7.772 123.259 115.700 -0.356 0.000 2.520 626 S HA 0.585 5.055 4.470 -0.001 0.000 0.324 626 S C -0.797 173.579 174.600 -0.372 0.000 1.069 626 S CA -0.594 57.556 58.200 -0.084 0.000 1.121 626 S CB 0.126 63.477 63.200 0.252 0.000 0.971 626 S HN 0.878 nan 8.310 nan 0.000 0.463 627 R N 3.940 124.194 120.500 -0.412 0.000 2.548 627 R HA 0.316 4.655 4.340 -0.001 0.000 0.280 627 R C -1.687 174.500 176.300 -0.190 0.000 1.061 627 R CA -0.638 55.152 56.100 -0.516 0.000 0.915 627 R CB 0.943 30.804 30.300 -0.732 0.000 1.210 627 R HN 0.576 nan 8.270 nan 0.000 0.442 628 N N 3.018 121.605 118.700 -0.188 0.000 2.439 628 N HA 0.125 4.865 4.740 -0.001 0.000 0.249 628 N C -1.673 173.847 175.510 0.016 0.000 1.003 628 N CA 0.006 53.056 53.050 -0.000 0.000 0.942 628 N CB 0.801 39.403 38.487 0.192 0.000 1.115 628 N HN 0.655 nan 8.380 nan 0.000 0.505 629 H N 2.328 121.358 119.070 -0.067 0.000 2.717 629 H HA 0.538 5.093 4.556 -0.001 0.000 0.366 629 H C -1.386 174.021 175.328 0.132 0.000 1.132 629 H CA -0.707 55.353 56.048 0.019 0.000 1.180 629 H CB 1.072 30.818 29.762 -0.027 0.000 1.678 629 H HN 0.537 nan 8.280 nan 0.000 0.537 630 N N 2.012 120.480 118.700 -0.386 0.000 2.242 630 N HA 0.302 5.042 4.740 -0.001 0.000 0.292 630 N C -1.024 174.280 175.510 -0.344 0.000 1.125 630 N CA -0.474 52.413 53.050 -0.270 0.000 0.783 630 N CB 2.422 40.789 38.487 -0.201 0.000 1.558 630 N HN 0.552 nan 8.380 nan 0.000 0.472 631 S N 0.478 115.851 115.700 -0.545 0.000 2.641 631 S HA 0.145 4.614 4.470 -0.001 0.000 0.261 631 S C -0.474 174.014 174.600 -0.188 0.000 1.257 631 S CA -0.334 57.522 58.200 -0.572 0.000 0.983 631 S CB 0.238 62.789 63.200 -1.081 0.000 0.990 631 S HN 0.620 nan 8.310 nan 0.000 0.572 632 D N -0.313 119.871 120.400 -0.360 0.000 2.390 632 D HA 0.421 5.061 4.640 -0.001 0.000 0.249 632 D C 1.106 176.992 176.300 -0.689 0.000 1.144 632 D CA 1.356 54.896 54.000 -0.767 0.000 0.880 632 D CB 0.226 39.999 40.800 -1.711 0.000 1.182 632 D HN 0.799 nan 8.370 nan 0.000 0.451 633 G N 2.421 110.858 108.800 -0.605 0.000 2.199 633 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.254 633 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.254 633 G C 0.027 174.524 174.900 -0.671 0.000 0.982 633 G CA 0.509 45.231 45.100 -0.630 0.000 0.632 633 G HN 0.505 nan 8.290 nan 0.000 0.529 634 Y N 0.712 120.809 120.300 -0.338 0.000 2.307 634 Y HA 0.601 5.151 4.550 -0.001 0.000 0.324 634 Y C 0.860 176.540 175.900 -0.366 0.000 1.238 634 Y CA -0.774 57.151 58.100 -0.292 0.000 1.280 634 Y CB 0.614 38.919 38.460 -0.259 0.000 1.248 634 Y HN 0.151 nan 8.280 nan 0.000 0.508 635 E N 1.310 121.413 120.200 -0.162 0.000 2.502 635 E HA -0.059 4.290 4.350 -0.001 0.000 0.261 635 E C -0.902 175.402 176.600 -0.493 0.000 0.974 635 E CA 0.199 56.391 56.400 -0.347 0.000 0.936 635 E CB -0.024 29.552 29.700 -0.206 0.000 0.926 635 E HN 0.512 nan 8.360 nan 0.000 0.459 636 H N 2.296 120.958 119.070 -0.679 0.000 3.134 636 H HA -0.077 4.478 4.556 -0.001 0.000 0.326 636 H C 0.603 175.516 175.328 -0.691 0.000 1.017 636 H CA 1.545 57.165 56.048 -0.713 0.000 1.359 636 H CB 0.482 29.711 29.762 -0.888 0.000 1.300 636 H HN 0.519 nan 8.280 nan 0.000 0.596 637 Q N 1.793 121.515 119.800 -0.131 0.000 2.057 637 Q HA 0.080 4.420 4.340 -0.001 0.000 0.216 637 Q C -0.825 175.332 176.000 0.261 0.000 0.788 637 Q CA -0.488 55.384 55.803 0.116 0.000 1.053 637 Q CB 0.465 29.281 28.738 0.129 0.000 1.210 637 Q HN 0.734 nan 8.270 nan 0.000 0.455 638 D N 1.132 121.638 120.400 0.177 0.000 2.423 638 D HA 0.030 4.669 4.640 -0.001 0.000 0.238 638 D C -1.778 174.709 176.300 0.313 0.000 1.142 638 D CA -1.122 52.997 54.000 0.198 0.000 0.884 638 D CB 1.475 42.341 40.800 0.109 0.000 1.199 638 D HN -0.127 nan 8.370 nan 0.000 0.438 639 P HA -0.139 nan 4.420 nan 0.000 0.215 639 P C 1.408 178.896 177.300 0.313 0.000 1.157 639 P CA 1.951 65.228 63.100 0.297 0.000 0.868 639 P CB -0.073 31.700 31.700 0.121 0.000 0.788 640 A N -1.049 121.877 122.820 0.176 0.000 2.019 640 A HA -0.200 4.120 4.320 -0.001 0.000 0.219 640 A C 2.028 179.684 177.584 0.120 0.000 1.164 640 A CA 1.133 53.242 52.037 0.121 0.000 0.644 640 A CB -1.963 17.071 19.000 0.057 0.000 0.805 640 A HN 0.168 nan 8.150 nan 0.000 0.449 641 F N -0.311 119.637 119.950 -0.004 0.000 2.236 641 F HA -0.178 4.349 4.527 -0.001 0.000 0.302 641 F C 1.422 177.112 175.800 -0.184 0.000 1.073 641 F CA 1.379 59.299 58.000 -0.133 0.000 1.336 641 F CB -0.315 38.548 39.000 -0.229 0.000 1.040 641 F HN 0.229 nan 8.300 nan 0.000 0.507 642 F N 0.824 120.758 119.950 -0.026 0.000 2.748 642 F HA 0.309 4.836 4.527 -0.001 0.000 0.299 642 F C 1.181 176.901 175.800 -0.133 0.000 1.154 642 F CA 0.865 58.808 58.000 -0.096 0.000 1.446 642 F CB -0.467 38.559 39.000 0.043 0.000 1.112 642 F HN 0.078 nan 8.300 nan 0.000 0.584 643 G N -0.182 108.619 108.800 0.002 0.000 2.627 643 G HA2 -0.110 3.849 3.960 -0.001 0.000 0.680 643 G HA3 -0.110 3.849 3.960 -0.001 0.000 0.680 643 G C 0.042 174.951 174.900 0.015 0.000 1.341 643 G CA -0.816 44.271 45.100 -0.023 0.000 0.835 643 G HN -0.172 nan 8.290 nan 0.000 0.643 644 Q N 0.500 120.298 119.800 -0.003 0.000 2.082 644 Q HA -0.173 4.167 4.340 -0.001 0.000 0.211 644 Q C 1.806 177.814 176.000 0.012 0.000 1.002 644 Q CA 2.358 58.165 55.803 0.006 0.000 0.868 644 Q CB -0.053 28.684 28.738 -0.002 0.000 0.931 644 Q HN 0.698 nan 8.270 nan 0.000 0.414 645 N N -0.247 118.459 118.700 0.009 0.000 2.282 645 N HA 0.040 4.780 4.740 -0.001 0.000 0.240 645 N C -0.668 174.851 175.510 0.015 0.000 1.182 645 N CA -0.099 52.956 53.050 0.009 0.000 0.874 645 N CB 0.836 39.325 38.487 0.004 0.000 1.126 645 N HN 0.080 nan 8.380 nan 0.000 0.516 646 S N -0.215 115.501 115.700 0.026 0.000 2.593 646 S HA 0.104 4.573 4.470 -0.001 0.000 0.269 646 S C 1.190 175.805 174.600 0.025 0.000 1.334 646 S CA -0.712 57.509 58.200 0.036 0.000 1.015 646 S CB 1.143 64.387 63.200 0.073 0.000 0.912 646 S HN 0.169 nan 8.310 nan 0.000 0.541 647 L N 2.151 123.386 121.223 0.020 0.000 2.131 647 L HA 0.017 4.356 4.340 -0.001 0.000 0.210 647 L C 2.155 179.024 176.870 -0.001 0.000 1.092 647 L CA 1.531 56.377 54.840 0.011 0.000 0.759 647 L CB -0.750 41.317 42.059 0.014 0.000 0.903 647 L HN 0.912 nan 8.230 nan 0.000 0.435 648 L N -1.763 119.446 121.223 -0.022 0.000 2.017 648 L HA -0.202 4.137 4.340 -0.001 0.000 0.208 648 L C 2.315 179.168 176.870 -0.029 0.000 1.073 648 L CA 1.562 56.358 54.840 -0.074 0.000 0.745 648 L CB -0.247 41.676 42.059 -0.227 0.000 0.894 648 L HN 0.092 nan 8.230 nan 0.000 0.432 649 V N 0.148 120.070 119.914 0.012 0.000 2.343 649 V HA -0.299 3.820 4.120 -0.001 0.000 0.247 649 V C 2.555 178.648 176.094 -0.003 0.000 1.051 649 V CA 2.138 64.451 62.300 0.020 0.000 1.036 649 V CB -0.601 31.248 31.823 0.045 0.000 0.654 649 V HN 0.461 nan 8.190 nan 0.000 0.451 650 K N -0.013 120.385 120.400 -0.003 0.000 2.026 650 K HA -0.185 4.134 4.320 -0.001 0.000 0.208 650 K C 2.502 179.085 176.600 -0.028 0.000 1.048 650 K CA 1.752 58.028 56.287 -0.018 0.000 0.929 650 K CB -0.454 32.039 32.500 -0.013 0.000 0.713 650 K HN 0.429 nan 8.250 nan 0.000 0.439 651 S N 0.697 116.400 115.700 0.006 0.000 2.356 651 S HA -0.146 4.324 4.470 -0.001 0.000 0.223 651 S C 2.096 176.748 174.600 0.087 0.000 1.032 651 S CA 1.818 60.060 58.200 0.071 0.000 1.005 651 S CB -0.204 63.064 63.200 0.113 0.000 0.867 651 S HN 0.206 nan 8.310 nan 0.000 0.449 652 S N 1.100 116.812 115.700 0.020 0.000 2.368 652 S HA -0.065 4.405 4.470 -0.001 0.000 0.225 652 S C 1.961 176.511 174.600 -0.083 0.000 1.030 652 S CA 1.283 59.460 58.200 -0.038 0.000 0.999 652 S CB -0.454 62.695 63.200 -0.084 0.000 0.844 652 S HN 0.591 nan 8.310 nan 0.000 0.459 653 R N 1.221 121.678 120.500 -0.073 0.000 2.075 653 R HA -0.131 4.209 4.340 -0.001 0.000 0.232 653 R C 2.523 178.758 176.300 -0.109 0.000 1.126 653 R CA 1.644 57.691 56.100 -0.088 0.000 0.963 653 R CB -0.325 29.940 30.300 -0.059 0.000 0.858 653 R HN 0.516 nan 8.270 nan 0.000 0.435 654 Q N -0.538 119.178 119.800 -0.141 0.000 2.061 654 Q HA -0.227 4.112 4.340 -0.001 0.000 0.204 654 Q C 1.581 177.405 176.000 -0.293 0.000 0.984 654 Q CA 2.024 57.678 55.803 -0.250 0.000 0.846 654 Q CB -0.269 28.238 28.738 -0.384 0.000 0.902 654 Q HN 0.538 nan 8.270 nan 0.000 0.421 655 Y N 0.059 120.332 120.300 -0.046 0.000 2.314 655 Y HA -0.082 4.467 4.550 -0.001 0.000 0.293 655 Y C 2.001 177.790 175.900 -0.186 0.000 1.129 655 Y CA 0.667 58.731 58.100 -0.059 0.000 1.201 655 Y CB 0.196 38.648 38.460 -0.015 0.000 0.999 655 Y HN 0.127 nan 8.280 nan 0.000 0.541 656 L N -1.007 120.170 121.223 -0.076 0.000 2.156 656 L HA -0.170 4.169 4.340 -0.001 0.000 0.208 656 L C 2.192 179.067 176.870 0.008 0.000 1.095 656 L CA 1.224 56.008 54.840 -0.092 0.000 0.770 656 L CB -0.593 41.344 42.059 -0.203 0.000 0.914 656 L HN 0.185 nan 8.230 nan 0.000 0.439 657 T N 0.076 114.607 114.554 -0.039 0.000 2.821 657 T HA -0.117 4.232 4.350 -0.001 0.000 0.267 657 T C 1.905 176.675 174.700 0.116 0.000 1.046 657 T CA 1.201 63.309 62.100 0.012 0.000 1.139 657 T CB -0.118 68.731 68.868 -0.031 0.000 0.871 657 T HN 0.178 nan 8.240 nan 0.000 0.454 658 I N 0.775 121.395 120.570 0.085 0.000 2.179 658 I HA -0.169 4.001 4.170 -0.001 0.000 0.242 658 I C 2.828 179.043 176.117 0.164 0.000 1.088 658 I CA 1.224 62.603 61.300 0.132 0.000 1.357 658 I CB -0.356 37.706 38.000 0.103 0.000 1.051 658 I HN 0.130 nan 8.210 nan 0.000 0.409 659 R N 0.401 120.942 120.500 0.068 0.000 2.094 659 R HA -0.256 4.083 4.340 -0.001 0.000 0.239 659 R C 2.468 178.977 176.300 0.347 0.000 1.137 659 R CA 2.123 58.312 56.100 0.149 0.000 0.943 659 R CB -0.515 29.797 30.300 0.020 0.000 0.850 659 R HN 0.234 nan 8.270 nan 0.000 0.433 660 Y N 0.840 121.235 120.300 0.157 0.000 2.181 660 Y HA -0.152 4.398 4.550 -0.001 0.000 0.288 660 Y C 2.666 178.717 175.900 0.251 0.000 1.146 660 Y CA 1.941 60.161 58.100 0.201 0.000 1.164 660 Y CB -0.613 37.944 38.460 0.161 0.000 0.982 660 Y HN 0.148 nan 8.280 nan 0.000 0.515 661 T N 0.202 114.982 114.554 0.376 0.000 2.759 661 T HA -0.168 4.182 4.350 -0.001 0.000 0.269 661 T C 1.794 176.718 174.700 0.374 0.000 1.042 661 T CA 1.297 63.591 62.100 0.325 0.000 1.140 661 T CB -0.456 68.584 68.868 0.287 0.000 0.864 661 T HN 0.239 nan 8.240 nan 0.000 0.455 662 L N 0.564 122.046 121.223 0.431 0.000 2.591 662 L HA 0.232 4.571 4.340 -0.001 0.000 0.228 662 L C 1.982 179.232 176.870 0.633 0.000 1.133 662 L CA 0.010 55.193 54.840 0.572 0.000 0.880 662 L CB -0.399 42.051 42.059 0.651 0.000 1.033 662 L HN 0.260 nan 8.230 nan 0.000 0.450 663 L N 0.496 121.998 121.223 0.466 0.000 2.079 663 L HA -0.168 4.172 4.340 -0.001 0.000 0.210 663 L C -0.200 176.951 176.870 0.469 0.000 1.081 663 L CA 1.548 56.577 54.840 0.314 0.000 0.752 663 L CB -1.454 40.637 42.059 0.053 0.000 0.896 663 L HN 0.269 nan 8.230 nan 0.000 0.433 664 P HA -0.211 nan 4.420 nan 0.000 0.218 664 P C 1.428 179.267 177.300 0.897 0.000 1.149 664 P CA 1.222 64.900 63.100 0.963 0.000 0.817 664 P CB -0.037 32.213 31.700 0.916 0.000 0.785 665 F N 0.635 120.948 119.950 0.605 0.000 2.051 665 F HA -0.151 4.376 4.527 -0.001 0.000 0.296 665 F C 1.989 178.051 175.800 0.437 0.000 1.122 665 F CA 1.159 59.482 58.000 0.540 0.000 1.201 665 F CB -1.298 38.005 39.000 0.506 0.000 0.978 665 F HN -0.253 nan 8.300 nan 0.000 0.472 666 L N -0.143 121.109 121.223 0.047 0.000 2.051 666 L HA -0.285 4.055 4.340 -0.001 0.000 0.214 666 L C 2.289 179.221 176.870 0.103 0.000 1.076 666 L CA 2.116 56.797 54.840 -0.265 0.000 0.758 666 L CB -1.495 40.366 42.059 -0.330 0.000 0.890 666 L HN 0.398 nan 8.230 nan 0.000 0.433 667 Y N -0.104 120.290 120.300 0.157 0.000 2.181 667 Y HA -0.230 4.320 4.550 -0.001 0.000 0.288 667 Y C 2.515 178.611 175.900 0.328 0.000 1.146 667 Y CA 2.129 60.379 58.100 0.250 0.000 1.164 667 Y CB -0.725 37.913 38.460 0.297 0.000 0.982 667 Y HN 0.219 nan 8.280 nan 0.000 0.515 668 T N 1.034 115.840 114.554 0.420 0.000 2.788 668 T HA -0.180 4.169 4.350 -0.001 0.000 0.268 668 T C 2.067 176.879 174.700 0.185 0.000 1.044 668 T CA 1.639 63.955 62.100 0.360 0.000 1.139 668 T CB -0.491 68.710 68.868 0.553 0.000 0.867 668 T HN 0.296 nan 8.240 nan 0.000 0.454 669 L N -0.453 120.763 121.223 -0.012 0.000 2.131 669 L HA -0.035 4.305 4.340 -0.001 0.000 0.210 669 L C 2.205 178.912 176.870 -0.271 0.000 1.092 669 L CA 1.235 55.957 54.840 -0.197 0.000 0.759 669 L CB -0.579 41.202 42.059 -0.464 0.000 0.903 669 L HN 0.217 nan 8.230 nan 0.000 0.435 670 F N -1.054 118.786 119.950 -0.184 0.000 2.146 670 F HA -0.239 4.287 4.527 -0.001 0.000 0.298 670 F C 2.571 178.203 175.800 -0.281 0.000 1.096 670 F CA 1.469 59.332 58.000 -0.227 0.000 1.275 670 F CB -0.766 38.083 39.000 -0.251 0.000 1.008 670 F HN -0.003 nan 8.300 nan 0.000 0.480 671 Y N 1.505 121.597 120.300 -0.347 0.000 2.069 671 Y HA -0.325 4.225 4.550 -0.001 0.000 0.278 671 Y C 2.218 177.933 175.900 -0.308 0.000 1.175 671 Y CA 1.979 59.729 58.100 -0.583 0.000 1.134 671 Y CB -0.644 37.191 38.460 -1.042 0.000 0.965 671 Y HN -0.060 nan 8.280 nan 0.000 0.498 672 K N 0.172 120.364 120.400 -0.347 0.000 2.097 672 K HA -0.148 4.172 4.320 -0.001 0.000 0.206 672 K C 2.395 178.886 176.600 -0.182 0.000 1.049 672 K CA 1.077 57.232 56.287 -0.221 0.000 0.933 672 K CB -0.434 32.104 32.500 0.062 0.000 0.717 672 K HN 0.478 nan 8.250 nan 0.000 0.442 673 A N 1.113 123.818 122.820 -0.191 0.000 1.877 673 A HA -0.241 4.079 4.320 -0.001 0.000 0.216 673 A C 2.012 179.480 177.584 -0.193 0.000 1.186 673 A CA 1.967 53.904 52.037 -0.167 0.000 0.620 673 A CB -0.807 18.079 19.000 -0.190 0.000 0.822 673 A HN 0.429 nan 8.150 nan 0.000 0.443 674 H N -0.662 118.221 119.070 -0.312 0.000 2.357 674 H HA -0.036 4.520 4.556 -0.001 0.000 0.301 674 H C 1.670 176.734 175.328 -0.439 0.000 1.082 674 H CA 2.080 57.927 56.048 -0.334 0.000 1.342 674 H CB -0.060 29.506 29.762 -0.327 0.000 1.389 674 H HN 0.140 nan 8.280 nan 0.000 0.511 675 V N -0.863 118.587 119.914 -0.773 0.000 2.500 675 V HA -0.035 4.085 4.120 -0.001 0.000 0.243 675 V C 1.409 176.924 176.094 -0.966 0.000 1.039 675 V CA 1.550 63.221 62.300 -1.049 0.000 1.053 675 V CB -0.316 30.616 31.823 -1.485 0.000 0.695 675 V HN 0.369 nan 8.190 nan 0.000 0.463 676 F N -0.214 119.517 119.950 -0.365 0.000 2.724 676 F HA 0.506 5.033 4.527 -0.001 0.000 0.306 676 F C 1.803 177.485 175.800 -0.196 0.000 1.100 676 F CA 0.648 58.502 58.000 -0.243 0.000 1.255 676 F CB 0.468 39.349 39.000 -0.200 0.000 1.072 676 F HN 0.220 nan 8.300 nan 0.000 0.589 677 G N 1.194 109.946 108.800 -0.080 0.000 2.143 677 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.248 677 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.248 677 G C -0.020 174.864 174.900 -0.027 0.000 0.991 677 G CA -0.174 44.876 45.100 -0.082 0.000 0.689 677 G HN 0.378 nan 8.290 nan 0.000 0.522 678 E N 0.946 121.144 120.200 -0.004 0.000 2.392 678 E HA 0.427 4.777 4.350 -0.001 0.000 0.259 678 E C 1.181 177.758 176.600 -0.038 0.000 1.108 678 E CA 0.425 56.829 56.400 0.007 0.000 0.916 678 E CB 0.494 30.205 29.700 0.019 0.000 0.989 678 E HN 0.444 nan 8.360 nan 0.000 0.432 679 T N -1.685 112.864 114.554 -0.008 0.000 2.904 679 T HA 0.227 4.577 4.350 -0.001 0.000 0.290 679 T C 0.826 175.437 174.700 -0.148 0.000 1.018 679 T CA -0.945 61.117 62.100 -0.063 0.000 1.075 679 T CB 1.196 70.049 68.868 -0.024 0.000 0.986 679 T HN 0.172 nan 8.240 nan 0.000 0.523 680 V N 1.175 120.935 119.914 -0.257 0.000 2.607 680 V HA 0.393 4.512 4.120 -0.001 0.000 0.228 680 V C 1.747 177.730 176.094 -0.184 0.000 1.106 680 V CA 0.638 62.698 62.300 -0.400 0.000 1.141 680 V CB -1.046 30.278 31.823 -0.832 0.000 0.808 680 V HN 1.154 nan 8.190 nan 0.000 0.501 681 A N 1.501 124.265 122.820 -0.092 0.000 2.451 681 A HA 0.482 4.801 4.320 -0.001 0.000 0.266 681 A C 0.236 177.849 177.584 0.048 0.000 1.119 681 A CA 0.283 52.414 52.037 0.157 0.000 0.786 681 A CB -0.257 18.823 19.000 0.134 0.000 1.061 681 A HN 0.482 nan 8.150 nan 0.000 0.503 682 R N 3.397 123.973 120.500 0.128 0.000 2.561 682 R HA 0.492 4.831 4.340 -0.001 0.000 0.297 682 R C -3.075 173.193 176.300 -0.052 0.000 0.969 682 R CA -2.027 54.046 56.100 -0.045 0.000 0.879 682 R CB 1.862 32.186 30.300 0.039 0.000 1.178 682 R HN 0.387 nan 8.270 nan 0.000 0.445 683 P HA -0.057 nan 4.420 nan 0.000 0.266 683 P C 0.716 178.071 177.300 0.092 0.000 1.195 683 P CA -0.161 62.831 63.100 -0.179 0.000 0.768 683 P CB 0.809 32.347 31.700 -0.270 0.000 0.838 684 V N 3.305 123.341 119.914 0.203 0.000 2.380 684 V HA -0.263 3.857 4.120 -0.001 0.000 0.251 684 V C 2.265 178.624 176.094 0.441 0.000 1.063 684 V CA 1.974 64.491 62.300 0.361 0.000 1.055 684 V CB -1.171 30.838 31.823 0.310 0.000 0.657 684 V HN 0.567 nan 8.190 nan 0.000 0.455 685 L N 0.061 121.510 121.223 0.376 0.000 2.051 685 L HA -0.283 4.057 4.340 -0.001 0.000 0.214 685 L C 2.346 179.483 176.870 0.445 0.000 1.076 685 L CA 2.237 57.317 54.840 0.399 0.000 0.758 685 L CB -1.003 41.205 42.059 0.248 0.000 0.890 685 L HN 0.476 nan 8.230 nan 0.000 0.433 686 H N -1.273 117.916 119.070 0.199 0.000 2.457 686 H HA -0.043 4.512 4.556 -0.001 0.000 0.294 686 H C 1.454 176.904 175.328 0.205 0.000 1.064 686 H CA 1.112 57.279 56.048 0.199 0.000 1.330 686 H CB 0.422 30.254 29.762 0.118 0.000 1.395 686 H HN 0.484 nan 8.280 nan 0.000 0.541 687 E N -0.009 120.289 120.200 0.164 0.000 2.389 687 E HA 0.019 4.369 4.350 -0.001 0.000 0.199 687 E C 0.200 176.352 176.600 -0.746 0.000 0.978 687 E CA 0.306 56.521 56.400 -0.308 0.000 0.912 687 E CB 0.435 29.839 29.700 -0.493 0.000 0.907 687 E HN 0.372 nan 8.360 nan 0.000 0.494 688 F N 0.152 120.137 119.950 0.058 0.000 2.814 688 F HA 0.104 4.630 4.527 -0.001 0.000 0.326 688 F C 1.033 176.868 175.800 0.059 0.000 1.159 688 F CA -0.854 57.153 58.000 0.012 0.000 1.234 688 F CB -0.353 38.751 39.000 0.172 0.000 1.016 688 F HN -0.044 nan 8.300 nan 0.000 0.510 689 Y N -0.412 120.101 120.300 0.354 0.000 2.365 689 Y HA -0.184 4.366 4.550 -0.001 0.000 0.287 689 Y C 1.529 177.719 175.900 0.485 0.000 1.162 689 Y CA 1.050 59.419 58.100 0.448 0.000 1.260 689 Y CB -1.294 37.302 38.460 0.226 0.000 0.976 689 Y HN 0.225 nan 8.280 nan 0.000 0.548 690 E N 0.130 120.447 120.200 0.196 0.000 2.409 690 E HA -0.126 4.224 4.350 -0.001 0.000 0.198 690 E C -0.070 176.602 176.600 0.120 0.000 1.024 690 E CA 0.797 57.322 56.400 0.209 0.000 0.861 690 E CB -0.047 29.706 29.700 0.089 0.000 0.788 690 E HN 0.406 nan 8.360 nan 0.000 0.521 691 D N 0.096 120.570 120.400 0.124 0.000 2.414 691 D HA 0.012 4.652 4.640 -0.001 0.000 0.232 691 D C 0.929 177.082 176.300 -0.245 0.000 1.070 691 D CA -0.258 53.739 54.000 -0.005 0.000 0.839 691 D CB 1.373 42.254 40.800 0.135 0.000 1.079 691 D HN -0.075 nan 8.370 nan 0.000 0.521 692 T N 1.187 115.370 114.554 -0.619 0.000 2.977 692 T HA -0.127 4.223 4.350 -0.001 0.000 0.271 692 T C 1.362 175.716 174.700 -0.578 0.000 1.105 692 T CA 0.584 61.965 62.100 -1.198 0.000 1.116 692 T CB -0.070 68.067 68.868 -1.219 0.000 0.878 692 T HN 0.277 nan 8.240 nan 0.000 0.509 693 N N 2.079 120.537 118.700 -0.402 0.000 2.223 693 N HA -0.103 4.637 4.740 -0.001 0.000 0.185 693 N C 2.213 177.550 175.510 -0.289 0.000 1.016 693 N CA 1.683 54.453 53.050 -0.467 0.000 0.863 693 N CB -0.380 37.492 38.487 -1.024 0.000 0.983 693 N HN 0.759 nan 8.380 nan 0.000 0.429 694 S N -0.545 115.118 115.700 -0.061 0.000 2.447 694 S HA -0.075 4.394 4.470 -0.001 0.000 0.233 694 S C 1.540 176.387 174.600 0.411 0.000 1.006 694 S CA 0.222 58.555 58.200 0.220 0.000 0.957 694 S CB -0.455 62.981 63.200 0.393 0.000 0.773 694 S HN 0.301 nan 8.310 nan 0.000 0.507 695 W N 2.681 124.027 121.300 0.077 0.000 2.421 695 W HA 0.208 4.867 4.660 -0.001 0.000 0.270 695 W C 1.826 178.540 176.519 0.326 0.000 1.233 695 W CA 0.018 57.458 57.345 0.157 0.000 1.226 695 W CB -0.652 28.746 29.460 -0.104 0.000 1.121 695 W HN 0.569 nan 8.180 nan 0.000 0.579 696 I N -2.024 118.808 120.570 0.436 0.000 3.927 696 I HA 0.289 4.459 4.170 -0.001 0.000 0.332 696 I C 0.149 176.440 176.117 0.290 0.000 1.485 696 I CA -0.306 61.213 61.300 0.365 0.000 1.131 696 I CB -0.081 38.079 38.000 0.266 0.000 1.092 696 I HN -0.368 nan 8.210 nan 0.000 0.410 697 E N 3.240 123.613 120.200 0.290 0.000 2.152 697 E HA 0.178 4.528 4.350 -0.001 0.000 0.285 697 E C -0.363 176.380 176.600 0.238 0.000 1.043 697 E CA -0.084 56.445 56.400 0.214 0.000 0.839 697 E CB 0.737 30.548 29.700 0.185 0.000 1.069 697 E HN 0.542 nan 8.360 nan 0.000 0.399 698 D N 0.986 121.501 120.400 0.193 0.000 2.615 698 D HA -0.029 4.611 4.640 -0.001 0.000 0.274 698 D C 0.243 176.628 176.300 0.142 0.000 1.512 698 D CA 0.152 54.249 54.000 0.163 0.000 0.803 698 D CB -0.444 40.495 40.800 0.232 0.000 1.182 698 D HN 0.317 nan 8.370 nan 0.000 0.473 699 T N -1.829 112.802 114.554 0.129 0.000 3.134 699 T HA 0.275 4.624 4.350 -0.001 0.000 0.260 699 T C 0.337 175.103 174.700 0.110 0.000 1.027 699 T CA -0.273 61.894 62.100 0.111 0.000 0.913 699 T CB 0.047 68.963 68.868 0.079 0.000 1.046 699 T HN 0.428 nan 8.240 nan 0.000 0.553 700 E N 0.516 120.801 120.200 0.142 0.000 2.445 700 E HA 0.649 4.999 4.350 -0.001 0.000 0.279 700 E C -1.377 175.371 176.600 0.247 0.000 1.018 700 E CA -1.382 55.088 56.400 0.117 0.000 0.816 700 E CB 1.562 31.238 29.700 -0.039 0.000 1.356 700 E HN 0.285 nan 8.360 nan 0.000 0.462 701 F N -1.264 118.684 119.950 -0.003 0.000 2.773 701 F HA 0.630 5.156 4.527 -0.001 0.000 0.314 701 F C -2.226 173.624 175.800 0.082 0.000 1.160 701 F CA -1.336 56.684 58.000 0.035 0.000 0.920 701 F CB 1.010 40.032 39.000 0.036 0.000 1.323 701 F HN 0.379 nan 8.300 nan 0.000 0.457 702 L N 1.369 122.739 121.223 0.245 0.000 2.331 702 L HA 0.409 4.749 4.340 -0.001 0.000 0.275 702 L C -1.286 175.861 176.870 0.461 0.000 1.022 702 L CA -0.644 54.331 54.840 0.225 0.000 0.812 702 L CB 1.369 43.594 42.059 0.277 0.000 1.257 702 L HN 0.565 nan 8.230 nan 0.000 0.435 703 W N 2.819 124.217 121.300 0.163 0.000 2.387 703 W HA 0.510 5.170 4.660 -0.001 0.000 0.310 703 W C 0.907 177.564 176.519 0.230 0.000 1.181 703 W CA 0.047 57.520 57.345 0.213 0.000 1.333 703 W CB 0.184 29.830 29.460 0.310 0.000 1.286 703 W HN 0.788 nan 8.180 nan 0.000 0.455 704 G N 5.611 114.562 108.800 0.253 0.000 2.574 704 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.282 704 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.282 704 G C -1.535 173.496 174.900 0.218 0.000 1.257 704 G CA 0.247 45.466 45.100 0.199 0.000 0.956 704 G HN 0.349 nan 8.290 nan 0.000 0.560 705 P HA 0.336 nan 4.420 nan 0.000 0.257 705 P C 1.039 178.190 177.300 -0.248 0.000 1.241 705 P CA 1.975 65.033 63.100 -0.071 0.000 0.816 705 P CB 0.509 32.108 31.700 -0.168 0.000 1.150 706 A N -0.827 121.976 122.820 -0.028 0.000 2.127 706 A HA 0.315 4.635 4.320 -0.001 0.000 0.204 706 A C 0.639 178.331 177.584 0.180 0.000 1.243 706 A CA 0.287 52.257 52.037 -0.112 0.000 0.887 706 A CB -0.210 18.726 19.000 -0.106 0.000 0.933 706 A HN 0.206 nan 8.150 nan 0.000 0.479 707 L N 0.369 121.776 121.223 0.307 0.000 2.349 707 L HA 0.702 5.042 4.340 -0.001 0.000 0.278 707 L C -1.259 175.682 176.870 0.119 0.000 0.996 707 L CA -0.754 54.224 54.840 0.229 0.000 0.825 707 L CB 1.810 43.976 42.059 0.177 0.000 1.243 707 L HN 0.165 nan 8.230 nan 0.000 0.412 708 L N 6.288 127.545 121.223 0.057 0.000 2.272 708 L HA 0.622 4.962 4.340 -0.001 0.000 0.289 708 L C -1.008 175.648 176.870 -0.357 0.000 1.032 708 L CA 0.070 54.815 54.840 -0.159 0.000 0.810 708 L CB 1.090 42.944 42.059 -0.342 0.000 1.205 708 L HN 0.562 nan 8.230 nan 0.000 0.422 709 I N 4.313 124.527 120.570 -0.593 0.000 2.336 709 I HA 0.403 4.573 4.170 -0.001 0.000 0.292 709 I C -0.084 175.744 176.117 -0.482 0.000 0.991 709 I CA 0.129 60.986 61.300 -0.738 0.000 1.227 709 I CB 1.713 39.004 38.000 -1.182 0.000 1.366 709 I HN 0.549 nan 8.210 nan 0.000 0.466 710 T N 7.234 121.590 114.554 -0.330 0.000 3.064 710 T HA 0.360 4.710 4.350 -0.001 0.000 0.367 710 T C -2.543 172.063 174.700 -0.157 0.000 1.202 710 T CA -1.210 60.775 62.100 -0.192 0.000 1.133 710 T CB 0.733 69.512 68.868 -0.148 0.000 1.074 710 T HN 0.305 nan 8.240 nan 0.000 0.519 711 P HA 0.366 nan 4.420 nan 0.000 0.276 711 P C -0.471 176.794 177.300 -0.058 0.000 1.244 711 P CA -0.480 62.565 63.100 -0.091 0.000 0.801 711 P CB 1.055 32.730 31.700 -0.042 0.000 1.006 712 V N 3.177 123.064 119.914 -0.044 0.000 2.432 712 V HA 0.137 4.256 4.120 -0.001 0.000 0.275 712 V C 1.335 177.476 176.094 0.079 0.000 1.043 712 V CA 0.119 62.420 62.300 0.001 0.000 0.925 712 V CB 0.537 32.364 31.823 0.007 0.000 0.985 712 V HN 0.456 nan 8.190 nan 0.000 0.466 713 L N 3.876 125.146 121.223 0.078 0.000 3.086 713 L HA 0.372 4.712 4.340 -0.001 0.000 0.274 713 L C 0.323 177.297 176.870 0.174 0.000 1.184 713 L CA 0.042 54.962 54.840 0.132 0.000 1.002 713 L CB 0.297 42.377 42.059 0.036 0.000 1.383 713 L HN 0.450 nan 8.230 nan 0.000 0.582 714 K N 1.418 121.804 120.400 -0.024 0.000 2.324 714 K HA 0.302 4.621 4.320 -0.001 0.000 0.253 714 K C -0.648 175.475 176.600 -0.795 0.000 0.932 714 K CA -0.408 55.699 56.287 -0.300 0.000 0.799 714 K CB 2.392 34.776 32.500 -0.195 0.000 1.154 714 K HN -0.088 nan 8.250 nan 0.000 0.425 715 Q N 0.400 119.370 119.800 -1.383 0.000 2.337 715 Q HA 0.147 4.487 4.340 -0.001 0.000 0.270 715 Q C 0.561 176.157 176.000 -0.673 0.000 1.002 715 Q CA 1.567 56.390 55.803 -1.633 0.000 0.888 715 Q CB 0.344 28.167 28.738 -1.524 0.000 1.222 715 Q HN 0.869 nan 8.270 nan 0.000 0.400 716 G N 2.378 110.917 108.800 -0.435 0.000 2.225 716 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.254 716 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.254 716 G C 0.142 174.949 174.900 -0.155 0.000 0.988 716 G CA 0.151 45.125 45.100 -0.209 0.000 0.625 716 G HN 0.987 nan 8.290 nan 0.000 0.527 717 A N 0.795 123.498 122.820 -0.195 0.000 2.401 717 A HA 0.562 4.882 4.320 -0.001 0.000 0.259 717 A C 0.966 178.501 177.584 -0.082 0.000 1.103 717 A CA 0.868 52.832 52.037 -0.122 0.000 0.789 717 A CB 0.377 19.299 19.000 -0.131 0.000 1.035 717 A HN 0.803 nan 8.150 nan 0.000 0.491 718 D N 0.559 120.926 120.400 -0.055 0.000 2.479 718 D HA 0.160 4.800 4.640 -0.001 0.000 0.218 718 D C -0.255 175.988 176.300 -0.095 0.000 1.177 718 D CA 0.139 54.080 54.000 -0.098 0.000 0.830 718 D CB 0.180 40.941 40.800 -0.064 0.000 1.014 718 D HN 0.227 nan 8.370 nan 0.000 0.503 719 T N -0.034 114.504 114.554 -0.026 0.000 2.952 719 T HA 0.489 4.839 4.350 -0.001 0.000 0.305 719 T C -1.333 173.348 174.700 -0.032 0.000 1.064 719 T CA -0.753 61.356 62.100 0.014 0.000 1.008 719 T CB 2.616 71.532 68.868 0.080 0.000 1.078 719 T HN -0.032 nan 8.240 nan 0.000 0.459 720 V N 2.300 122.185 119.914 -0.048 0.000 2.588 720 V HA 0.722 4.841 4.120 -0.001 0.000 0.304 720 V C 0.002 176.040 176.094 -0.093 0.000 1.042 720 V CA -0.562 61.698 62.300 -0.066 0.000 0.877 720 V CB 1.969 33.751 31.823 -0.069 0.000 0.996 720 V HN 0.955 nan 8.190 nan 0.000 0.425 721 S N 5.579 121.232 115.700 -0.079 0.000 2.481 721 S HA 0.658 5.128 4.470 -0.001 0.000 0.282 721 S C -0.011 174.527 174.600 -0.104 0.000 1.243 721 S CA 0.298 58.442 58.200 -0.093 0.000 1.078 721 S CB -0.258 62.909 63.200 -0.055 0.000 0.916 721 S HN 1.640 nan 8.310 nan 0.000 0.495 722 A N 5.094 127.810 122.820 -0.173 0.000 2.414 722 A HA 0.577 4.897 4.320 -0.001 0.000 0.306 722 A C -1.409 176.059 177.584 -0.194 0.000 1.054 722 A CA -0.634 51.294 52.037 -0.181 0.000 0.724 722 A CB 0.861 19.705 19.000 -0.261 0.000 1.267 722 A HN 0.850 nan 8.150 nan 0.000 0.418 723 Y N 3.395 123.561 120.300 -0.224 0.000 2.365 723 Y HA 0.475 5.024 4.550 -0.001 0.000 0.340 723 Y C -0.301 175.413 175.900 -0.309 0.000 1.016 723 Y CA -0.798 57.169 58.100 -0.221 0.000 1.196 723 Y CB 0.600 38.980 38.460 -0.133 0.000 1.167 723 Y HN 0.454 nan 8.280 nan 0.000 0.509 724 I N 9.743 129.757 120.570 -0.927 0.000 2.307 724 I HA 0.276 4.445 4.170 -0.001 0.000 0.289 724 I C -2.231 173.405 176.117 -0.802 0.000 1.021 724 I CA -2.846 57.981 61.300 -0.788 0.000 1.224 724 I CB 0.784 38.462 38.000 -0.536 0.000 1.376 724 I HN 0.493 nan 8.210 nan 0.000 0.470 725 P HA 0.041 nan 4.420 nan 0.000 0.275 725 P C -0.196 177.015 177.300 -0.150 0.000 1.270 725 P CA -0.314 62.498 63.100 -0.480 0.000 0.791 725 P CB 0.631 31.564 31.700 -1.278 0.000 1.089 726 D N -0.228 120.103 120.400 -0.115 0.000 2.551 726 D HA 0.421 5.061 4.640 -0.001 0.000 0.223 726 D C -0.719 175.664 176.300 0.139 0.000 1.144 726 D CA 0.324 54.367 54.000 0.072 0.000 1.025 726 D CB -1.239 39.644 40.800 0.139 0.000 1.085 726 D HN 0.358 nan 8.370 nan 0.000 0.506 727 A N 2.564 125.407 122.820 0.038 0.000 2.586 727 A HA 0.514 4.833 4.320 -0.001 0.000 0.290 727 A C -0.778 176.564 177.584 -0.403 0.000 1.086 727 A CA -0.763 51.157 52.037 -0.195 0.000 0.665 727 A CB 0.599 19.356 19.000 -0.404 0.000 1.279 727 A HN 0.295 nan 8.150 nan 0.000 0.423 728 I N 0.490 120.788 120.570 -0.453 0.000 2.441 728 I HA 0.264 4.434 4.170 -0.001 0.000 0.287 728 I C -0.950 174.704 176.117 -0.771 0.000 1.049 728 I CA 0.398 61.415 61.300 -0.473 0.000 1.381 728 I CB 0.635 38.432 38.000 -0.340 0.000 1.409 728 I HN 0.597 nan 8.210 nan 0.000 0.523 729 W N 5.767 126.890 121.300 -0.295 0.000 2.656 729 W HA 0.474 5.134 4.660 -0.001 0.000 0.327 729 W C -1.024 175.289 176.519 -0.343 0.000 1.041 729 W CA -0.526 56.701 57.345 -0.196 0.000 1.229 729 W CB 1.033 30.422 29.460 -0.118 0.000 1.397 729 W HN 0.222 nan 8.180 nan 0.000 0.479 730 Y N 1.516 122.004 120.300 0.314 0.000 2.341 730 Y HA 0.187 4.737 4.550 -0.001 0.000 0.337 730 Y C 0.375 176.419 175.900 0.241 0.000 1.014 730 Y CA -1.108 57.104 58.100 0.186 0.000 1.111 730 Y CB 1.022 39.526 38.460 0.074 0.000 1.194 730 Y HN 0.334 nan 8.280 nan 0.000 0.462 731 D N 1.791 122.357 120.400 0.276 0.000 2.472 731 D HA -0.137 4.503 4.640 -0.001 0.000 0.248 731 D C 0.760 177.089 176.300 0.047 0.000 1.174 731 D CA 0.502 54.528 54.000 0.044 0.000 0.883 731 D CB 0.434 41.240 40.800 0.010 0.000 1.149 731 D HN 0.583 nan 8.370 nan 0.000 0.488 732 Y N 4.026 124.258 120.300 -0.114 0.000 2.128 732 Y HA -0.211 4.338 4.550 -0.001 0.000 0.284 732 Y C 1.757 177.632 175.900 -0.042 0.000 1.154 732 Y CA 1.754 59.821 58.100 -0.055 0.000 1.149 732 Y CB 0.163 38.574 38.460 -0.081 0.000 0.976 732 Y HN 0.552 nan 8.280 nan 0.000 0.505 733 E N -0.425 119.824 120.200 0.081 0.000 2.017 733 E HA -0.194 4.156 4.350 -0.001 0.000 0.193 733 E C 2.343 178.885 176.600 -0.096 0.000 0.997 733 E CA 1.858 58.266 56.400 0.013 0.000 0.804 733 E CB -0.387 29.358 29.700 0.074 0.000 0.757 733 E HN 0.583 nan 8.360 nan 0.000 0.448 734 S N -1.111 114.550 115.700 -0.064 0.000 2.478 734 S HA 0.143 4.613 4.470 -0.001 0.000 0.222 734 S C 1.729 176.270 174.600 -0.098 0.000 1.008 734 S CA 0.788 58.944 58.200 -0.073 0.000 0.928 734 S CB 0.649 63.824 63.200 -0.041 0.000 0.781 734 S HN 0.415 nan 8.310 nan 0.000 0.518 735 G N 1.050 109.796 108.800 -0.090 0.000 2.199 735 G HA2 -0.124 3.836 3.960 -0.001 0.000 0.254 735 G HA3 -0.124 3.836 3.960 -0.001 0.000 0.254 735 G C 0.255 175.179 174.900 0.039 0.000 0.982 735 G CA 0.003 45.050 45.100 -0.088 0.000 0.632 735 G HN 1.323 nan 8.290 nan 0.000 0.529 736 A N 0.480 123.327 122.820 0.045 0.000 2.401 736 A HA 0.591 4.911 4.320 -0.001 0.000 0.259 736 A C 0.737 178.397 177.584 0.126 0.000 1.103 736 A CA 0.446 52.524 52.037 0.069 0.000 0.789 736 A CB 0.447 19.440 19.000 -0.010 0.000 1.035 736 A HN 0.551 nan 8.150 nan 0.000 0.491 737 K N 2.247 122.723 120.400 0.127 0.000 2.447 737 K HA 0.036 4.356 4.320 -0.001 0.000 0.281 737 K C -0.220 176.260 176.600 -0.199 0.000 1.031 737 K CA -0.194 56.028 56.287 -0.108 0.000 1.019 737 K CB 0.293 32.704 32.500 -0.148 0.000 0.918 737 K HN 0.670 nan 8.250 nan 0.000 0.476 738 R N 4.224 124.552 120.500 -0.286 0.000 2.490 738 R HA 0.103 4.442 4.340 -0.001 0.000 0.280 738 R C -1.842 174.171 176.300 -0.479 0.000 1.077 738 R CA -1.788 53.976 56.100 -0.561 0.000 1.065 738 R CB 0.400 30.226 30.300 -0.789 0.000 1.003 738 R HN 0.546 nan 8.270 nan 0.000 0.470 739 P HA 0.111 nan 4.420 nan 0.000 0.243 739 P C -0.809 176.444 177.300 -0.078 0.000 1.668 739 P CA 0.050 62.988 63.100 -0.269 0.000 0.898 739 P CB 0.164 31.753 31.700 -0.186 0.000 1.637 740 W N 0.701 121.970 121.300 -0.053 0.000 2.736 740 W HA 0.619 5.279 4.660 -0.001 0.000 0.335 740 W C 0.265 176.757 176.519 -0.045 0.000 1.059 740 W CA -0.802 56.494 57.345 -0.082 0.000 1.226 740 W CB 1.713 31.081 29.460 -0.153 0.000 1.416 740 W HN -0.068 nan 8.180 nan 0.000 0.505 741 R N 2.277 122.867 120.500 0.150 0.000 2.560 741 R HA 0.160 4.499 4.340 -0.001 0.000 0.267 741 R C -0.127 176.147 176.300 -0.043 0.000 1.150 741 R CA -0.736 55.407 56.100 0.072 0.000 0.997 741 R CB 1.078 31.413 30.300 0.057 0.000 1.250 741 R HN 0.560 nan 8.270 nan 0.000 0.433 742 K N 3.001 123.318 120.400 -0.139 0.000 3.257 742 K HA -0.248 4.072 4.320 -0.001 0.000 0.270 742 K C -1.499 174.966 176.600 -0.224 0.000 0.984 742 K CA 1.853 58.031 56.287 -0.182 0.000 0.739 742 K CB -0.735 31.765 32.500 0.001 0.000 1.351 742 K HN 0.778 nan 8.250 nan 0.000 0.463 743 Q N -0.676 118.810 119.800 -0.523 0.000 2.472 743 Q HA 0.345 4.685 4.340 -0.001 0.000 0.281 743 Q C -1.274 174.458 176.000 -0.448 0.000 0.997 743 Q CA -1.319 54.302 55.803 -0.303 0.000 0.828 743 Q CB 1.088 29.734 28.738 -0.153 0.000 1.443 743 Q HN 0.254 nan 8.270 nan 0.000 0.390 744 R N 1.380 121.802 120.500 -0.128 0.000 2.265 744 R HA 0.528 4.868 4.340 -0.001 0.000 0.314 744 R C -0.476 175.675 176.300 -0.249 0.000 1.053 744 R CA -0.227 55.810 56.100 -0.105 0.000 0.931 744 R CB 1.048 31.377 30.300 0.049 0.000 1.024 744 R HN 0.584 nan 8.270 nan 0.000 0.457 745 V N 0.161 119.835 119.914 -0.401 0.000 3.046 745 V HA 0.501 4.621 4.120 -0.001 0.000 0.316 745 V C -0.933 174.921 176.094 -0.400 0.000 1.104 745 V CA -1.077 60.901 62.300 -0.537 0.000 1.006 745 V CB 2.286 33.398 31.823 -1.185 0.000 1.058 745 V HN 0.645 nan 8.190 nan 0.000 0.440 746 D N 3.553 123.768 120.400 -0.307 0.000 2.428 746 D HA 0.346 4.986 4.640 -0.001 0.000 0.221 746 D C -0.350 175.855 176.300 -0.158 0.000 1.123 746 D CA 0.240 54.133 54.000 -0.179 0.000 0.869 746 D CB 1.446 42.199 40.800 -0.078 0.000 1.032 746 D HN 0.713 nan 8.370 nan 0.000 0.506 747 M N 3.180 122.675 119.600 -0.176 0.000 2.120 747 M HA 0.129 4.609 4.480 -0.001 0.000 0.354 747 M C -0.996 175.359 176.300 0.091 0.000 1.287 747 M CA -0.765 54.494 55.300 -0.069 0.000 1.103 747 M CB 0.780 33.293 32.600 -0.144 0.000 1.623 747 M HN 0.270 nan 8.290 nan 0.000 0.471 748 Y N 6.546 126.888 120.300 0.070 0.000 2.436 748 Y HA 0.430 4.980 4.550 -0.001 0.000 0.343 748 Y C -1.527 174.411 175.900 0.063 0.000 1.008 748 Y CA -0.262 57.872 58.100 0.057 0.000 1.241 748 Y CB 0.297 38.800 38.460 0.072 0.000 1.153 748 Y HN 0.604 nan 8.280 nan 0.000 0.521 749 L N 10.319 131.285 121.223 -0.427 0.000 2.454 749 L HA 0.387 4.727 4.340 -0.001 0.000 0.258 749 L C -2.292 174.292 176.870 -0.477 0.000 1.025 749 L CA -2.006 52.618 54.840 -0.360 0.000 0.901 749 L CB 1.362 43.323 42.059 -0.163 0.000 1.210 749 L HN 0.519 nan 8.230 nan 0.000 0.457 750 P HA 0.064 nan 4.420 nan 0.000 0.282 750 P C 0.827 178.034 177.300 -0.155 0.000 1.286 750 P CA -0.251 62.615 63.100 -0.390 0.000 0.777 750 P CB 0.985 32.516 31.700 -0.281 0.000 1.184 751 A N 0.839 123.615 122.820 -0.072 0.000 2.009 751 A HA -0.225 4.095 4.320 -0.001 0.000 0.222 751 A C 1.356 178.943 177.584 0.005 0.000 1.175 751 A CA 2.476 54.503 52.037 -0.017 0.000 0.651 751 A CB -1.504 17.500 19.000 0.006 0.000 0.815 751 A HN 0.694 nan 8.150 nan 0.000 0.459 752 D N -1.772 118.638 120.400 0.017 0.000 2.368 752 D HA 0.130 4.770 4.640 -0.001 0.000 0.218 752 D C -0.070 176.332 176.300 0.170 0.000 1.112 752 D CA 0.069 54.117 54.000 0.081 0.000 0.834 752 D CB 0.183 41.020 40.800 0.063 0.000 0.953 752 D HN 0.125 nan 8.370 nan 0.000 0.505 753 K N 0.752 121.194 120.400 0.070 0.000 2.378 753 K HA 0.510 4.830 4.320 -0.001 0.000 0.252 753 K C -0.750 175.786 176.600 -0.107 0.000 0.931 753 K CA -0.786 55.548 56.287 0.078 0.000 0.794 753 K CB 2.957 35.474 32.500 0.029 0.000 1.181 753 K HN 0.103 nan 8.250 nan 0.000 0.425 754 I N -0.129 120.271 120.570 -0.284 0.000 2.530 754 I HA 0.433 4.603 4.170 -0.001 0.000 0.297 754 I C 0.097 176.056 176.117 -0.264 0.000 1.011 754 I CA -0.586 60.502 61.300 -0.354 0.000 1.107 754 I CB 1.808 39.469 38.000 -0.566 0.000 1.285 754 I HN 0.656 nan 8.210 nan 0.000 0.436 755 G N 7.571 116.251 108.800 -0.200 0.000 2.361 755 G HA2 0.452 4.412 3.960 -0.001 0.000 0.260 755 G HA3 0.452 4.412 3.960 -0.001 0.000 0.260 755 G C -0.964 173.765 174.900 -0.285 0.000 1.261 755 G CA -0.277 44.744 45.100 -0.130 0.000 0.897 755 G HN 0.553 nan 8.290 nan 0.000 0.499 756 L N 2.738 123.719 121.223 -0.404 0.000 2.476 756 L HA 0.383 4.723 4.340 -0.001 0.000 0.269 756 L C -1.118 175.445 176.870 -0.510 0.000 0.965 756 L CA -0.787 53.787 54.840 -0.444 0.000 0.845 756 L CB 2.259 44.078 42.059 -0.400 0.000 1.259 756 L HN 0.654 nan 8.230 nan 0.000 0.403 757 H N 3.144 122.207 119.070 -0.011 0.000 2.759 757 H HA 0.538 5.094 4.556 -0.001 0.000 0.354 757 H C -1.004 174.539 175.328 0.359 0.000 1.074 757 H CA -0.452 55.711 56.048 0.193 0.000 1.226 757 H CB 2.331 32.176 29.762 0.138 0.000 1.648 757 H HN 0.355 nan 8.280 nan 0.000 0.529 758 L N 2.623 124.159 121.223 0.521 0.000 2.275 758 L HA 0.428 4.767 4.340 -0.001 0.000 0.288 758 L C 0.461 177.602 176.870 0.453 0.000 1.046 758 L CA -0.566 54.534 54.840 0.432 0.000 0.805 758 L CB 1.149 43.390 42.059 0.304 0.000 1.193 758 L HN 0.434 nan 8.230 nan 0.000 0.426 759 R N 1.890 122.529 120.500 0.232 0.000 2.389 759 R HA 0.289 4.629 4.340 -0.001 0.000 0.295 759 R C 0.251 176.621 176.300 0.116 0.000 1.075 759 R CA -0.269 55.704 56.100 -0.212 0.000 1.005 759 R CB 0.870 31.002 30.300 -0.279 0.000 0.987 759 R HN 0.792 nan 8.270 nan 0.000 0.452 760 G N 1.222 110.024 108.800 0.004 0.000 2.441 760 G HA2 0.366 4.326 3.960 -0.001 0.000 0.243 760 G HA3 0.366 4.326 3.960 -0.001 0.000 0.243 760 G C 0.717 175.708 174.900 0.150 0.000 1.281 760 G CA 0.189 45.407 45.100 0.198 0.000 0.854 760 G HN 0.927 nan 8.290 nan 0.000 0.560 761 G N -0.111 108.734 108.800 0.075 0.000 2.179 761 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.220 761 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.220 761 G C -0.076 174.550 174.900 -0.458 0.000 0.990 761 G CA 0.300 45.292 45.100 -0.180 0.000 0.646 761 G HN 0.802 nan 8.290 nan 0.000 0.517 762 Y N -0.402 119.933 120.300 0.057 0.000 2.462 762 Y HA 0.726 5.275 4.550 -0.001 0.000 0.346 762 Y C 0.438 176.364 175.900 0.044 0.000 0.976 762 Y CA -1.135 57.009 58.100 0.074 0.000 1.044 762 Y CB 1.673 40.181 38.460 0.080 0.000 1.230 762 Y HN 0.087 nan 8.280 nan 0.000 0.455 763 I N 5.300 125.995 120.570 0.208 0.000 2.389 763 I HA 0.456 4.625 4.170 -0.001 0.000 0.288 763 I C -0.671 175.539 176.117 0.155 0.000 0.999 763 I CA -0.762 60.601 61.300 0.105 0.000 1.129 763 I CB 1.193 39.245 38.000 0.085 0.000 1.288 763 I HN 0.484 nan 8.210 nan 0.000 0.444 764 I N 5.712 126.287 120.570 0.007 0.000 2.474 764 I HA 0.684 4.853 4.170 -0.001 0.000 0.294 764 I C -2.695 173.449 176.117 0.045 0.000 1.005 764 I CA -2.350 58.963 61.300 0.021 0.000 1.113 764 I CB 2.180 39.971 38.000 -0.349 0.000 1.289 764 I HN 0.223 nan 8.210 nan 0.000 0.436 765 P HA 0.401 nan 4.420 nan 0.000 0.279 765 P C -0.861 176.579 177.300 0.234 0.000 1.239 765 P CA -0.080 63.110 63.100 0.150 0.000 0.789 765 P CB 1.460 33.320 31.700 0.268 0.000 0.933 766 I N -1.100 119.540 120.570 0.116 0.000 3.239 766 I HA 0.721 4.890 4.170 -0.001 0.000 0.314 766 I C -0.989 175.190 176.117 0.105 0.000 1.126 766 I CA -1.413 59.997 61.300 0.183 0.000 0.973 766 I CB 2.506 40.602 38.000 0.160 0.000 1.252 766 I HN 0.245 nan 8.210 nan 0.000 0.463 767 Q N 1.352 121.247 119.800 0.158 0.000 2.289 767 Q HA 0.352 4.691 4.340 -0.001 0.000 0.270 767 Q C -1.474 174.602 176.000 0.127 0.000 1.038 767 Q CA -0.600 55.260 55.803 0.096 0.000 0.812 767 Q CB 2.305 31.127 28.738 0.141 0.000 1.300 767 Q HN 0.708 nan 8.270 nan 0.000 0.427 768 E N 4.896 125.138 120.200 0.070 0.000 2.529 768 E HA 0.014 4.364 4.350 -0.001 0.000 0.259 768 E C -2.079 174.595 176.600 0.124 0.000 0.966 768 E CA -0.874 55.573 56.400 0.079 0.000 0.937 768 E CB 0.341 30.063 29.700 0.036 0.000 0.923 768 E HN 0.385 nan 8.360 nan 0.000 0.468 769 P HA 0.138 nan 4.420 nan 0.000 0.276 769 P C -0.638 176.744 177.300 0.136 0.000 1.261 769 P CA -0.079 63.132 63.100 0.185 0.000 0.800 769 P CB 1.078 32.874 31.700 0.161 0.000 1.066 770 D N -1.274 119.222 120.400 0.159 0.000 2.665 770 D HA 0.088 4.728 4.640 -0.001 0.000 0.287 770 D C 0.689 177.006 176.300 0.027 0.000 1.266 770 D CA -0.433 53.619 54.000 0.087 0.000 0.830 770 D CB 1.960 42.822 40.800 0.104 0.000 1.356 770 D HN 0.097 nan 8.370 nan 0.000 0.437 771 V N -1.224 118.679 119.914 -0.018 0.000 3.573 771 V HA 0.237 4.357 4.120 -0.001 0.000 0.270 771 V C 0.693 176.777 176.094 -0.017 0.000 1.221 771 V CA 1.328 63.565 62.300 -0.106 0.000 1.163 771 V CB -0.779 31.018 31.823 -0.043 0.000 0.847 771 V HN 0.559 nan 8.190 nan 0.000 0.468 772 T N -3.774 110.865 114.554 0.141 0.000 2.903 772 T HA 0.422 4.772 4.350 -0.001 0.000 0.299 772 T C 0.830 175.745 174.700 0.359 0.000 1.093 772 T CA 0.326 62.579 62.100 0.255 0.000 1.002 772 T CB 1.598 70.515 68.868 0.081 0.000 1.127 772 T HN 0.413 nan 8.240 nan 0.000 0.488 773 T N -1.115 113.653 114.554 0.357 0.000 2.951 773 T HA -0.063 4.287 4.350 -0.001 0.000 0.268 773 T C 1.840 176.658 174.700 0.196 0.000 1.073 773 T CA 1.612 63.904 62.100 0.319 0.000 1.134 773 T CB -1.166 67.924 68.868 0.369 0.000 0.884 773 T HN 0.670 nan 8.240 nan 0.000 0.479 774 T N 2.243 116.873 114.554 0.127 0.000 2.684 774 T HA -0.002 4.348 4.350 -0.001 0.000 0.267 774 T C 2.427 177.162 174.700 0.059 0.000 1.036 774 T CA 1.572 63.703 62.100 0.052 0.000 1.148 774 T CB -0.810 68.058 68.868 0.000 0.000 0.863 774 T HN 0.633 nan 8.240 nan 0.000 0.436 775 A N 1.637 124.505 122.820 0.079 0.000 1.872 775 A HA -0.031 4.288 4.320 -0.001 0.000 0.214 775 A C 2.610 180.255 177.584 0.101 0.000 1.187 775 A CA 1.930 54.009 52.037 0.071 0.000 0.614 775 A CB -0.946 18.090 19.000 0.060 0.000 0.826 775 A HN 0.578 nan 8.150 nan 0.000 0.442 776 S N -0.067 115.730 115.700 0.162 0.000 2.399 776 S HA -0.180 4.289 4.470 -0.001 0.000 0.231 776 S C 1.922 176.628 174.600 0.176 0.000 1.022 776 S CA 1.258 59.575 58.200 0.195 0.000 0.983 776 S CB -0.515 62.871 63.200 0.311 0.000 0.803 776 S HN 0.557 nan 8.310 nan 0.000 0.480 777 R N 1.206 121.800 120.500 0.156 0.000 2.241 777 R HA 0.082 4.422 4.340 -0.001 0.000 0.224 777 R C 1.802 178.197 176.300 0.159 0.000 1.101 777 R CA 1.205 57.401 56.100 0.161 0.000 0.995 777 R CB -0.136 30.168 30.300 0.006 0.000 0.870 777 R HN 0.538 nan 8.270 nan 0.000 0.463 778 K N -0.274 120.182 120.400 0.093 0.000 2.404 778 K HA 0.064 4.383 4.320 -0.001 0.000 0.194 778 K C 0.077 176.688 176.600 0.020 0.000 1.023 778 K CA -0.035 56.285 56.287 0.055 0.000 1.094 778 K CB 0.224 32.746 32.500 0.037 0.000 0.841 778 K HN 0.065 nan 8.250 nan 0.000 0.523 779 N N 1.611 120.326 118.700 0.025 0.000 2.445 779 N HA 0.168 4.908 4.740 -0.001 0.000 0.264 779 N C -2.688 172.784 175.510 -0.063 0.000 1.227 779 N CA -2.083 50.965 53.050 -0.003 0.000 0.963 779 N CB 0.101 38.607 38.487 0.032 0.000 1.188 779 N HN -0.209 nan 8.380 nan 0.000 0.491 780 P HA 0.006 nan 4.420 nan 0.000 0.263 780 P C -0.194 177.014 177.300 -0.153 0.000 1.175 780 P CA 0.431 63.460 63.100 -0.117 0.000 0.761 780 P CB 0.482 32.137 31.700 -0.074 0.000 0.794 781 L N 2.112 123.173 121.223 -0.271 0.000 2.454 781 L HA 0.763 5.103 4.340 -0.001 0.000 0.256 781 L C 1.194 177.982 176.870 -0.137 0.000 1.136 781 L CA -0.006 54.643 54.840 -0.319 0.000 0.804 781 L CB 0.817 42.428 42.059 -0.747 0.000 1.181 781 L HN 0.471 nan 8.230 nan 0.000 0.469 782 G N 0.455 109.228 108.800 -0.044 0.000 2.684 782 G HA2 0.673 4.632 3.960 -0.001 0.000 0.290 782 G HA3 0.673 4.632 3.960 -0.001 0.000 0.290 782 G C -1.830 173.021 174.900 -0.080 0.000 1.425 782 G CA -0.573 44.514 45.100 -0.022 0.000 0.822 782 G HN 0.348 nan 8.290 nan 0.000 0.482 783 L N 0.463 121.557 121.223 -0.216 0.000 2.385 783 L HA 0.563 4.902 4.340 -0.001 0.000 0.273 783 L C -0.728 175.979 176.870 -0.272 0.000 0.990 783 L CA -0.757 53.866 54.840 -0.362 0.000 0.821 783 L CB 2.356 44.030 42.059 -0.642 0.000 1.279 783 L HN 0.337 nan 8.230 nan 0.000 0.412 784 I N 3.598 124.034 120.570 -0.222 0.000 2.355 784 I HA 0.295 4.465 4.170 -0.001 0.000 0.288 784 I C -0.395 175.603 176.117 -0.199 0.000 0.999 784 I CA -0.758 60.420 61.300 -0.204 0.000 1.163 784 I CB 1.895 39.806 38.000 -0.150 0.000 1.316 784 I HN 0.185 nan 8.210 nan 0.000 0.454 785 V N 6.160 125.934 119.914 -0.234 0.000 2.348 785 V HA 0.423 4.543 4.120 -0.001 0.000 0.270 785 V C 0.623 176.588 176.094 -0.215 0.000 1.037 785 V CA -0.486 61.703 62.300 -0.186 0.000 0.872 785 V CB 1.139 32.848 31.823 -0.190 0.000 1.002 785 V HN 0.819 nan 8.190 nan 0.000 0.464 786 A N 6.957 129.697 122.820 -0.134 0.000 2.366 786 A HA 0.647 4.966 4.320 -0.001 0.000 0.322 786 A C -0.176 177.413 177.584 0.008 0.000 1.397 786 A CA -0.441 51.494 52.037 -0.171 0.000 0.984 786 A CB -0.032 18.990 19.000 0.037 0.000 1.149 786 A HN 0.838 nan 8.150 nan 0.000 0.540 787 L N 3.014 124.224 121.223 -0.021 0.000 2.455 787 L HA 0.310 4.650 4.340 -0.001 0.000 0.272 787 L C 1.352 178.336 176.870 0.190 0.000 1.174 787 L CA -0.118 54.782 54.840 0.100 0.000 0.869 787 L CB 0.709 42.827 42.059 0.097 0.000 1.130 787 L HN 0.804 nan 8.230 nan 0.000 0.474 788 G N 1.733 110.589 108.800 0.093 0.000 2.525 788 G HA2 0.154 4.114 3.960 -0.001 0.000 0.287 788 G HA3 0.154 4.114 3.960 -0.001 0.000 0.287 788 G C 0.563 175.487 174.900 0.041 0.000 1.350 788 G CA -0.383 44.748 45.100 0.051 0.000 1.039 788 G HN 0.790 nan 8.290 nan 0.000 0.513 789 E N -0.118 120.089 120.200 0.012 0.000 2.171 789 E HA -0.140 4.210 4.350 -0.001 0.000 0.197 789 E C 1.037 177.648 176.600 0.018 0.000 0.997 789 E CA 1.032 57.438 56.400 0.010 0.000 0.810 789 E CB 0.087 29.788 29.700 0.002 0.000 0.738 789 E HN 0.296 nan 8.360 nan 0.000 0.467 790 N N 0.439 119.149 118.700 0.016 0.000 2.238 790 N HA 0.063 4.803 4.740 -0.001 0.000 0.222 790 N C -0.785 174.739 175.510 0.023 0.000 1.133 790 N CA 0.064 53.123 53.050 0.015 0.000 0.854 790 N CB 0.506 38.996 38.487 0.005 0.000 1.041 790 N HN 0.133 nan 8.380 nan 0.000 0.510 791 N N -0.691 118.033 118.700 0.041 0.000 2.735 791 N HA -0.156 4.583 4.740 -0.001 0.000 0.248 791 N C -0.853 174.690 175.510 0.056 0.000 1.083 791 N CA 0.863 53.951 53.050 0.064 0.000 0.703 791 N CB -1.027 37.500 38.487 0.067 0.000 1.005 791 N HN 0.079 nan 8.380 nan 0.000 0.550 792 T N -0.246 114.328 114.554 0.034 0.000 2.950 792 T HA 0.922 5.272 4.350 -0.001 0.000 0.288 792 T C -0.286 174.416 174.700 0.003 0.000 1.035 792 T CA 0.140 62.249 62.100 0.016 0.000 1.028 792 T CB 1.945 70.809 68.868 -0.006 0.000 1.109 792 T HN 0.376 nan 8.240 nan 0.000 0.514 793 A N 1.957 124.774 122.820 -0.006 0.000 2.597 793 A HA 0.745 5.064 4.320 -0.001 0.000 0.292 793 A C -1.682 175.893 177.584 -0.016 0.000 1.057 793 A CA -0.871 51.140 52.037 -0.043 0.000 0.674 793 A CB 1.408 20.408 19.000 0.000 0.000 1.278 793 A HN 0.647 nan 8.150 nan 0.000 0.416 794 K N -0.193 120.174 120.400 -0.056 0.000 2.508 794 K HA 0.757 5.077 4.320 -0.001 0.000 0.260 794 K C -0.349 176.346 176.600 0.158 0.000 0.949 794 K CA -0.444 55.872 56.287 0.049 0.000 0.834 794 K CB 2.915 35.414 32.500 -0.001 0.000 1.365 794 K HN 1.499 nan 8.250 nan 0.000 0.437 795 G N 0.925 109.906 108.800 0.303 0.000 2.559 795 G HA2 0.513 4.473 3.960 -0.001 0.000 0.291 795 G HA3 0.513 4.473 3.960 -0.001 0.000 0.291 795 G C -2.061 173.075 174.900 0.394 0.000 1.424 795 G CA -0.647 44.724 45.100 0.452 0.000 0.786 795 G HN 0.675 nan 8.290 nan 0.000 0.485 796 D N -2.225 118.437 120.400 0.437 0.000 2.664 796 D HA 0.759 5.399 4.640 -0.001 0.000 0.292 796 D C -1.547 175.082 176.300 0.548 0.000 1.214 796 D CA -0.805 53.323 54.000 0.213 0.000 0.932 796 D CB 2.173 43.102 40.800 0.214 0.000 1.420 796 D HN 0.595 nan 8.370 nan 0.000 0.471 797 F N 0.343 120.457 119.950 0.273 0.000 2.605 797 F HA 0.575 5.101 4.527 -0.001 0.000 0.320 797 F C -2.428 173.665 175.800 0.488 0.000 1.159 797 F CA -1.550 56.758 58.000 0.514 0.000 0.999 797 F CB 1.601 41.014 39.000 0.689 0.000 1.258 797 F HN 0.428 nan 8.300 nan 0.000 0.464 798 F N 7.388 127.224 119.950 -0.190 0.000 2.444 798 F HA 0.576 5.103 4.527 -0.001 0.000 0.342 798 F C -1.841 173.783 175.800 -0.292 0.000 1.121 798 F CA -0.712 57.076 58.000 -0.352 0.000 0.997 798 F CB 1.094 39.762 39.000 -0.553 0.000 1.130 798 F HN 0.583 nan 8.300 nan 0.000 0.454 799 W N 8.940 129.567 121.300 -1.120 0.000 2.900 799 W HA 0.316 4.975 4.660 -0.001 0.000 0.336 799 W C -1.707 174.394 176.519 -0.697 0.000 1.064 799 W CA -0.613 56.317 57.345 -0.691 0.000 1.237 799 W CB 1.902 31.139 29.460 -0.372 0.000 1.391 799 W HN 0.749 nan 8.180 nan 0.000 0.468 800 D N 1.363 121.162 120.400 -1.001 0.000 2.837 800 D HA 0.150 4.790 4.640 -0.001 0.000 0.294 800 D C 0.620 176.126 176.300 -1.325 0.000 1.158 800 D CA -0.257 53.117 54.000 -1.043 0.000 1.073 800 D CB 0.156 40.623 40.800 -0.554 0.000 1.419 800 D HN 0.294 nan 8.370 nan 0.000 0.584 801 D N -1.498 118.203 120.400 -1.165 0.000 2.371 801 D HA 0.122 4.762 4.640 -0.001 0.000 0.221 801 D C 1.575 177.624 176.300 -0.418 0.000 0.986 801 D CA 1.001 54.593 54.000 -0.681 0.000 0.899 801 D CB -0.545 40.055 40.800 -0.333 0.000 0.902 801 D HN 0.909 nan 8.370 nan 0.000 0.530 802 G N 0.628 109.203 108.800 -0.375 0.000 2.143 802 G HA2 -0.349 3.610 3.960 -0.001 0.000 0.248 802 G HA3 -0.349 3.610 3.960 -0.001 0.000 0.248 802 G C 0.589 175.468 174.900 -0.034 0.000 0.991 802 G CA 0.846 45.812 45.100 -0.223 0.000 0.689 802 G HN 0.635 nan 8.290 nan 0.000 0.522 803 E N -3.000 117.183 120.200 -0.028 0.000 2.662 803 E HA 0.105 4.455 4.350 -0.001 0.000 0.205 803 E C 0.411 177.012 176.600 0.002 0.000 1.003 803 E CA 0.304 56.715 56.400 0.019 0.000 1.685 803 E CB 0.026 29.758 29.700 0.052 0.000 2.386 803 E HN 0.223 nan 8.360 nan 0.000 1.092 804 T N 2.700 117.244 114.554 -0.017 0.000 2.851 804 T HA 0.179 4.529 4.350 -0.001 0.000 0.298 804 T C -0.121 174.576 174.700 -0.006 0.000 0.977 804 T CA -0.365 61.734 62.100 -0.003 0.000 1.126 804 T CB 1.034 69.901 68.868 -0.003 0.000 0.916 804 T HN -0.006 nan 8.240 nan 0.000 0.529 805 K N 2.726 123.126 120.400 0.000 0.000 2.355 805 K HA 0.028 4.347 4.320 -0.001 0.000 0.270 805 K C 0.414 177.018 176.600 0.007 0.000 1.003 805 K CA 0.119 56.398 56.287 -0.013 0.000 0.957 805 K CB 0.417 32.919 32.500 0.003 0.000 0.939 805 K HN 0.683 nan 8.250 nan 0.000 0.482 806 D N 0.152 120.551 120.400 -0.001 0.000 3.076 806 D HA -0.177 4.462 4.640 -0.001 0.000 0.218 806 D C 1.133 177.480 176.300 0.079 0.000 1.156 806 D CA 1.611 55.636 54.000 0.042 0.000 0.921 806 D CB -1.548 39.281 40.800 0.049 0.000 1.113 806 D HN 0.795 nan 8.370 nan 0.000 0.418 807 T N -1.847 112.756 114.554 0.081 0.000 2.720 807 T HA -0.137 4.212 4.350 -0.001 0.000 0.268 807 T C 2.130 177.002 174.700 0.287 0.000 1.037 807 T CA 1.357 63.550 62.100 0.154 0.000 1.144 807 T CB -0.334 68.609 68.868 0.125 0.000 0.864 807 T HN 0.403 nan 8.240 nan 0.000 0.444 808 I N 1.571 122.270 120.570 0.215 0.000 2.179 808 I HA -0.188 3.981 4.170 -0.001 0.000 0.242 808 I C 3.119 179.381 176.117 0.241 0.000 1.088 808 I CA 1.833 63.248 61.300 0.192 0.000 1.357 808 I CB -0.555 37.444 38.000 -0.002 0.000 1.051 808 I HN 0.352 nan 8.210 nan 0.000 0.409 809 Q N 0.989 120.881 119.800 0.154 0.000 2.135 809 Q HA -0.227 4.112 4.340 -0.001 0.000 0.204 809 Q C 1.647 177.724 176.000 0.129 0.000 0.981 809 Q CA 1.631 57.504 55.803 0.116 0.000 0.856 809 Q CB 0.009 28.798 28.738 0.084 0.000 0.902 809 Q HN 0.486 nan 8.270 nan 0.000 0.425 810 N N -0.723 118.065 118.700 0.148 0.000 2.467 810 N HA 0.023 4.763 4.740 -0.001 0.000 0.184 810 N C 0.656 176.258 175.510 0.154 0.000 1.106 810 N CA 1.032 54.159 53.050 0.129 0.000 0.892 810 N CB 0.712 39.262 38.487 0.106 0.000 0.969 810 N HN 0.467 nan 8.380 nan 0.000 0.454 811 G N 1.288 110.233 108.800 0.242 0.000 2.147 811 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.244 811 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.244 811 G C -0.248 174.720 174.900 0.114 0.000 1.005 811 G CA -0.286 44.918 45.100 0.174 0.000 0.713 811 G HN 0.270 nan 8.290 nan 0.000 0.515 812 N N 0.533 119.365 118.700 0.220 0.000 3.083 812 N HA 0.523 5.262 4.740 -0.001 0.000 0.260 812 N C -0.287 175.333 175.510 0.183 0.000 1.163 812 N CA 0.343 53.478 53.050 0.142 0.000 1.060 812 N CB 0.030 38.588 38.487 0.118 0.000 1.345 812 N HN 0.788 nan 8.380 nan 0.000 0.515 813 Y N -1.866 118.502 120.300 0.113 0.000 2.713 813 Y HA 0.599 5.148 4.550 -0.001 0.000 0.335 813 Y C -1.419 174.515 175.900 0.057 0.000 1.222 813 Y CA -1.361 56.702 58.100 -0.062 0.000 1.061 813 Y CB 0.971 39.328 38.460 -0.171 0.000 1.314 813 Y HN -0.083 nan 8.280 nan 0.000 0.453 814 I N 2.767 123.428 120.570 0.151 0.000 2.433 814 I HA 0.461 4.630 4.170 -0.001 0.000 0.292 814 I C -1.440 174.787 176.117 0.183 0.000 1.001 814 I CA -0.925 60.478 61.300 0.172 0.000 1.119 814 I CB 1.863 40.043 38.000 0.300 0.000 1.289 814 I HN 0.531 nan 8.210 nan 0.000 0.438 815 L N 7.731 129.076 121.223 0.202 0.000 2.381 815 L HA 0.533 4.872 4.340 -0.001 0.000 0.274 815 L C -1.587 175.326 176.870 0.072 0.000 0.988 815 L CA -0.297 54.673 54.840 0.217 0.000 0.824 815 L CB 1.220 43.493 42.059 0.356 0.000 1.263 815 L HN 0.321 nan 8.230 nan 0.000 0.410 816 Y N 2.202 122.603 120.300 0.167 0.000 2.468 816 Y HA 0.663 5.212 4.550 -0.001 0.000 0.342 816 Y C 0.291 176.068 175.900 -0.205 0.000 1.021 816 Y CA -0.398 57.721 58.100 0.033 0.000 1.079 816 Y CB 2.488 41.009 38.460 0.102 0.000 1.226 816 Y HN 0.482 nan 8.280 nan 0.000 0.460 817 T N 4.125 118.636 114.554 -0.072 0.000 2.807 817 T HA 0.574 4.924 4.350 -0.001 0.000 0.279 817 T C -1.394 173.200 174.700 -0.177 0.000 0.993 817 T CA -0.511 61.513 62.100 -0.126 0.000 0.970 817 T CB 0.135 69.022 68.868 0.031 0.000 0.950 817 T HN 0.249 nan 8.240 nan 0.000 0.441 818 F N 1.518 121.596 119.950 0.213 0.000 2.522 818 F HA 0.768 5.294 4.527 -0.001 0.000 0.324 818 F C 0.632 176.489 175.800 0.095 0.000 1.077 818 F CA -1.042 57.035 58.000 0.129 0.000 0.944 818 F CB 2.062 41.104 39.000 0.070 0.000 1.175 818 F HN 0.380 nan 8.300 nan 0.000 0.468 819 S N 1.188 117.046 115.700 0.264 0.000 2.546 819 S HA 0.788 5.257 4.470 -0.001 0.000 0.272 819 S C -1.856 172.816 174.600 0.119 0.000 1.140 819 S CA -0.507 57.783 58.200 0.151 0.000 0.920 819 S CB 1.327 64.589 63.200 0.104 0.000 1.083 819 S HN 0.399 nan 8.310 nan 0.000 0.476 820 V N 4.028 123.997 119.914 0.091 0.000 2.531 820 V HA 0.877 4.997 4.120 -0.001 0.000 0.301 820 V C -0.399 175.714 176.094 0.032 0.000 1.034 820 V CA -0.394 61.957 62.300 0.084 0.000 0.865 820 V CB 1.540 33.463 31.823 0.167 0.000 0.995 820 V HN 0.994 nan 8.190 nan 0.000 0.424 821 S N 3.155 118.840 115.700 -0.024 0.000 2.550 821 S HA 0.523 4.993 4.470 -0.001 0.000 0.270 821 S C -0.388 174.140 174.600 -0.121 0.000 1.145 821 S CA -0.779 57.394 58.200 -0.045 0.000 0.852 821 S CB 1.762 64.943 63.200 -0.032 0.000 1.119 821 S HN 0.714 nan 8.310 nan 0.000 0.465 822 N N 1.946 120.580 118.700 -0.111 0.000 2.707 822 N HA -0.218 4.521 4.740 -0.001 0.000 0.253 822 N C -0.268 175.043 175.510 -0.333 0.000 0.998 822 N CA 1.391 54.342 53.050 -0.165 0.000 0.751 822 N CB -2.134 36.275 38.487 -0.130 0.000 0.920 822 N HN 0.977 nan 8.380 nan 0.000 0.539 823 N N -2.958 115.462 118.700 -0.466 0.000 2.741 823 N HA -0.201 4.539 4.740 -0.001 0.000 0.250 823 N C -1.146 173.388 175.510 -1.626 0.000 1.115 823 N CA 1.460 53.793 53.050 -1.195 0.000 0.724 823 N CB -0.812 37.124 38.487 -0.918 0.000 1.090 823 N HN 0.399 nan 8.380 nan 0.000 0.558 824 T N 0.691 114.660 114.554 -0.974 0.000 2.879 824 T HA 0.505 4.854 4.350 -0.001 0.000 0.290 824 T C -0.704 173.820 174.700 -0.293 0.000 0.993 824 T CA -0.611 61.120 62.100 -0.615 0.000 0.975 824 T CB 1.993 70.674 68.868 -0.312 0.000 0.981 824 T HN 0.208 nan 8.240 nan 0.000 0.439 825 L N 3.663 124.842 121.223 -0.072 0.000 2.272 825 L HA 0.557 4.897 4.340 -0.001 0.000 0.289 825 L C -0.904 176.023 176.870 0.095 0.000 1.032 825 L CA -0.094 54.823 54.840 0.129 0.000 0.810 825 L CB 0.660 42.882 42.059 0.272 0.000 1.205 825 L HN 0.475 nan 8.230 nan 0.000 0.422 826 D N 6.672 127.140 120.400 0.113 0.000 2.256 826 D HA 0.396 5.036 4.640 -0.001 0.000 0.240 826 D C -0.462 175.980 176.300 0.237 0.000 1.062 826 D CA 0.149 54.236 54.000 0.144 0.000 0.832 826 D CB 2.114 42.976 40.800 0.103 0.000 1.135 826 D HN 0.480 nan 8.370 nan 0.000 0.484 827 I N 2.159 122.905 120.570 0.293 0.000 2.390 827 I HA 0.173 4.342 4.170 -0.001 0.000 0.283 827 I C -0.445 175.955 176.117 0.470 0.000 1.016 827 I CA -0.768 60.803 61.300 0.451 0.000 1.151 827 I CB 1.692 39.921 38.000 0.382 0.000 1.293 827 I HN -0.080 nan 8.210 nan 0.000 0.458 828 V N 5.734 125.887 119.914 0.399 0.000 2.313 828 V HA 0.160 4.279 4.120 -0.001 0.000 0.278 828 V C 0.040 176.160 176.094 0.043 0.000 1.017 828 V CA -0.659 61.764 62.300 0.205 0.000 0.823 828 V CB 1.621 33.514 31.823 0.116 0.000 1.010 828 V HN 0.842 nan 8.190 nan 0.000 0.443 829 C N 5.533 124.737 119.300 -0.161 0.000 2.540 829 C HA 0.294 4.754 4.460 -0.001 0.000 0.377 829 C C 1.925 176.790 174.990 -0.209 0.000 1.274 829 C CA 0.471 59.160 59.018 -0.549 0.000 1.718 829 C CB -0.441 26.974 27.740 -0.542 0.000 2.391 829 C HN 1.040 nan 8.230 nan 0.000 0.565 830 T N 1.075 115.548 114.554 -0.135 0.000 3.044 830 T HA 0.169 4.519 4.350 -0.001 0.000 0.250 830 T C 0.155 174.911 174.700 0.093 0.000 1.081 830 T CA 0.460 62.566 62.100 0.010 0.000 1.040 830 T CB -0.219 68.690 68.868 0.070 0.000 0.962 830 T HN 0.855 nan 8.240 nan 0.000 0.506 831 H N -0.042 118.976 119.070 -0.087 0.000 3.129 831 H HA 0.562 5.118 4.556 -0.001 0.000 0.342 831 H C -1.887 173.357 175.328 -0.141 0.000 1.092 831 H CA -0.597 55.385 56.048 -0.110 0.000 1.310 831 H CB 1.932 31.618 29.762 -0.126 0.000 1.932 831 H HN 0.056 nan 8.280 nan 0.000 0.507 832 S N 3.684 119.052 115.700 -0.553 0.000 2.721 832 S HA 0.461 4.931 4.470 -0.001 0.000 0.264 832 S C -1.067 173.295 174.600 -0.397 0.000 1.161 832 S CA -0.294 57.704 58.200 -0.337 0.000 1.113 832 S CB 0.466 63.565 63.200 -0.169 0.000 1.079 832 S HN 0.526 nan 8.310 nan 0.000 0.479 833 S N 4.326 119.842 115.700 -0.307 0.000 2.598 833 S HA 0.338 4.808 4.470 -0.001 0.000 0.209 833 S C -1.698 172.935 174.600 0.057 0.000 1.029 833 S CA -0.243 57.850 58.200 -0.177 0.000 1.172 833 S CB 0.159 63.202 63.200 -0.262 0.000 1.427 833 S HN 0.741 nan 8.310 nan 0.000 0.418 834 Y N 1.658 121.923 120.300 -0.058 0.000 2.325 834 Y HA 0.369 4.918 4.550 -0.001 0.000 0.336 834 Y C 0.595 176.513 175.900 0.030 0.000 1.130 834 Y CA -0.744 57.356 58.100 0.001 0.000 1.264 834 Y CB 0.272 38.744 38.460 0.021 0.000 1.128 834 Y HN 0.217 nan 8.280 nan 0.000 0.469 835 Q N 2.218 121.908 119.800 -0.182 0.000 2.079 835 Q HA -0.171 4.168 4.340 -0.001 0.000 0.200 835 Q C 1.547 177.343 176.000 -0.340 0.000 0.974 835 Q CA 1.871 57.553 55.803 -0.202 0.000 0.840 835 Q CB 0.177 28.860 28.738 -0.091 0.000 0.898 835 Q HN 0.852 nan 8.270 nan 0.000 0.430 836 E N -0.072 119.803 120.200 -0.543 0.000 2.153 836 E HA -0.165 4.184 4.350 -0.001 0.000 0.194 836 E C 1.914 178.205 176.600 -0.517 0.000 0.988 836 E CA 0.940 57.054 56.400 -0.477 0.000 0.811 836 E CB -0.140 29.368 29.700 -0.321 0.000 0.746 836 E HN 0.449 nan 8.360 nan 0.000 0.466 837 G N -0.428 107.786 108.800 -0.976 0.000 2.448 837 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.219 837 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.219 837 G C 1.530 176.395 174.900 -0.058 0.000 1.127 837 G CA 1.117 46.111 45.100 -0.177 0.000 0.766 837 G HN 0.228 nan 8.290 nan 0.000 0.552 838 T N 0.932 115.418 114.554 -0.114 0.000 3.035 838 T HA -0.085 4.264 4.350 -0.001 0.000 0.268 838 T C 2.686 177.364 174.700 -0.037 0.000 1.109 838 T CA 1.709 63.789 62.100 -0.033 0.000 1.119 838 T CB -0.300 68.548 68.868 -0.034 0.000 0.900 838 T HN 0.582 nan 8.240 nan 0.000 0.503 839 T N -0.097 114.417 114.554 -0.067 0.000 3.085 839 T HA 0.218 4.567 4.350 -0.001 0.000 0.263 839 T C 0.701 175.361 174.700 -0.067 0.000 1.127 839 T CA 0.196 62.264 62.100 -0.053 0.000 1.103 839 T CB -0.346 68.491 68.868 -0.050 0.000 0.921 839 T HN 0.228 nan 8.240 nan 0.000 0.510 840 L N 1.197 122.361 121.223 -0.099 0.000 2.399 840 L HA 0.752 5.092 4.340 -0.001 0.000 0.265 840 L C 0.164 176.896 176.870 -0.230 0.000 1.089 840 L CA -1.117 53.614 54.840 -0.183 0.000 0.802 840 L CB 1.285 43.172 42.059 -0.286 0.000 1.180 840 L HN 0.241 nan 8.230 nan 0.000 0.454 841 A N 1.165 123.804 122.820 -0.303 0.000 2.515 841 A HA 0.703 5.023 4.320 -0.001 0.000 0.298 841 A C -1.254 176.059 177.584 -0.451 0.000 1.059 841 A CA -0.534 51.310 52.037 -0.321 0.000 0.698 841 A CB 0.965 19.871 19.000 -0.157 0.000 1.289 841 A HN 0.412 nan 8.150 nan 0.000 0.404 842 F N 1.195 120.974 119.950 -0.285 0.000 2.472 842 F HA 0.307 4.834 4.527 -0.001 0.000 0.364 842 F C 1.537 177.172 175.800 -0.275 0.000 1.090 842 F CA 0.624 58.428 58.000 -0.326 0.000 1.188 842 F CB 1.013 39.769 39.000 -0.406 0.000 1.105 842 F HN 0.716 nan 8.300 nan 0.000 0.536 843 Q N 0.556 120.320 119.800 -0.059 0.000 2.245 843 Q HA 0.117 4.456 4.340 -0.001 0.000 0.250 843 Q C 0.351 176.314 176.000 -0.063 0.000 0.830 843 Q CA 0.156 55.918 55.803 -0.068 0.000 0.950 843 Q CB 1.330 30.028 28.738 -0.066 0.000 1.124 843 Q HN 0.630 nan 8.270 nan 0.000 0.502 844 T N 0.408 114.917 114.554 -0.074 0.000 2.893 844 T HA 0.565 4.914 4.350 -0.001 0.000 0.293 844 T C -1.560 173.050 174.700 -0.149 0.000 1.027 844 T CA -0.511 61.532 62.100 -0.095 0.000 0.988 844 T CB 1.699 70.521 68.868 -0.077 0.000 1.043 844 T HN -0.151 nan 8.240 nan 0.000 0.461 845 V N 5.343 125.147 119.914 -0.183 0.000 2.525 845 V HA 0.522 4.642 4.120 -0.001 0.000 0.299 845 V C -0.528 175.412 176.094 -0.256 0.000 1.034 845 V CA -0.890 61.258 62.300 -0.252 0.000 0.863 845 V CB 2.032 33.680 31.823 -0.292 0.000 0.999 845 V HN 0.793 nan 8.190 nan 0.000 0.423 846 K N 5.189 125.427 120.400 -0.270 0.000 2.274 846 K HA 0.712 5.031 4.320 -0.001 0.000 0.262 846 K C -1.227 175.164 176.600 -0.348 0.000 0.961 846 K CA -0.563 55.556 56.287 -0.281 0.000 0.833 846 K CB 2.320 34.674 32.500 -0.244 0.000 1.102 846 K HN 0.510 nan 8.250 nan 0.000 0.436 847 I N 4.609 124.941 120.570 -0.398 0.000 2.362 847 I HA 0.294 4.464 4.170 -0.001 0.000 0.289 847 I C -0.487 175.419 176.117 -0.351 0.000 0.994 847 I CA -0.659 60.380 61.300 -0.434 0.000 1.158 847 I CB 1.045 38.635 38.000 -0.684 0.000 1.315 847 I HN 0.286 nan 8.210 nan 0.000 0.451 848 L N 5.531 126.507 121.223 -0.412 0.000 2.322 848 L HA 0.656 4.996 4.340 -0.001 0.000 0.279 848 L C 1.087 177.681 176.870 -0.461 0.000 1.036 848 L CA -0.681 53.835 54.840 -0.540 0.000 0.807 848 L CB 1.399 42.881 42.059 -0.962 0.000 1.226 848 L HN 0.920 nan 8.230 nan 0.000 0.433 849 G N 2.222 110.936 108.800 -0.143 0.000 2.147 849 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.244 849 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.244 849 G C -0.392 174.579 174.900 0.119 0.000 1.005 849 G CA -0.307 44.900 45.100 0.179 0.000 0.713 849 G HN 0.426 nan 8.290 nan 0.000 0.515 850 L N 1.613 122.887 121.223 0.085 0.000 2.363 850 L HA 0.623 4.963 4.340 -0.001 0.000 0.286 850 L C 1.681 178.681 176.870 0.218 0.000 1.106 850 L CA 1.205 56.130 54.840 0.142 0.000 0.859 850 L CB 0.840 42.965 42.059 0.110 0.000 1.223 850 L HN 0.240 nan 8.230 nan 0.000 0.446 851 T N 1.602 116.246 114.554 0.151 0.000 2.942 851 T HA 0.006 4.355 4.350 -0.001 0.000 0.265 851 T C 0.429 175.198 174.700 0.115 0.000 1.062 851 T CA 0.790 62.974 62.100 0.140 0.000 1.139 851 T CB -0.181 68.743 68.868 0.094 0.000 0.883 851 T HN 0.753 nan 8.240 nan 0.000 0.468 852 D N 0.754 121.174 120.400 0.033 0.000 2.198 852 D HA 0.395 5.034 4.640 -0.001 0.000 0.247 852 D C -0.503 175.621 176.300 -0.294 0.000 1.010 852 D CA -0.484 53.482 54.000 -0.058 0.000 0.880 852 D CB 1.355 42.136 40.800 -0.032 0.000 1.209 852 D HN -0.034 nan 8.370 nan 0.000 0.451 853 S N -0.011 115.492 115.700 -0.328 0.000 2.568 853 S HA 0.235 4.705 4.470 -0.001 0.000 0.282 853 S C -0.109 174.284 174.600 -0.345 0.000 1.338 853 S CA -0.515 57.367 58.200 -0.531 0.000 1.045 853 S CB 0.464 63.548 63.200 -0.194 0.000 0.873 853 S HN 0.326 nan 8.310 nan 0.000 0.516 854 V N 3.236 122.945 119.914 -0.341 0.000 2.513 854 V HA 0.404 4.523 4.120 -0.001 0.000 0.299 854 V C 0.930 177.049 176.094 0.041 0.000 1.035 854 V CA -0.415 61.806 62.300 -0.132 0.000 0.889 854 V CB 1.778 33.507 31.823 -0.158 0.000 0.988 854 V HN 1.109 nan 8.190 nan 0.000 0.440 855 T N 0.066 114.640 114.554 0.034 0.000 2.975 855 T HA 0.330 4.679 4.350 -0.001 0.000 0.257 855 T C 0.158 174.977 174.700 0.198 0.000 1.003 855 T CA -0.080 62.119 62.100 0.165 0.000 0.932 855 T CB 0.470 69.391 68.868 0.089 0.000 1.087 855 T HN 0.528 nan 8.240 nan 0.000 0.512 856 E N 0.534 120.698 120.200 -0.060 0.000 2.354 856 E HA 0.569 4.918 4.350 -0.001 0.000 0.283 856 E C -1.987 174.425 176.600 -0.313 0.000 0.938 856 E CA -0.659 55.681 56.400 -0.100 0.000 0.777 856 E CB 2.127 31.835 29.700 0.014 0.000 1.222 856 E HN 0.032 nan 8.360 nan 0.000 0.423 857 V N 4.546 124.271 119.914 -0.315 0.000 2.555 857 V HA 0.673 4.793 4.120 -0.001 0.000 0.302 857 V C -0.209 175.897 176.094 0.020 0.000 1.038 857 V CA -0.673 61.520 62.300 -0.178 0.000 0.887 857 V CB 1.812 33.494 31.823 -0.236 0.000 0.991 857 V HN 0.614 nan 8.190 nan 0.000 0.434 858 R N 2.550 123.061 120.500 0.019 0.000 2.750 858 R HA 0.865 5.204 4.340 -0.001 0.000 0.281 858 R C -1.729 174.599 176.300 0.048 0.000 0.972 858 R CA -0.719 55.410 56.100 0.048 0.000 0.912 858 R CB 2.588 32.900 30.300 0.020 0.000 1.187 858 R HN 0.506 nan 8.270 nan 0.000 0.464 859 V N 1.099 121.059 119.914 0.075 0.000 2.638 859 V HA 0.779 4.899 4.120 -0.001 0.000 0.306 859 V C -0.760 175.405 176.094 0.119 0.000 1.052 859 V CA -0.881 61.473 62.300 0.090 0.000 0.885 859 V CB 1.824 33.693 31.823 0.077 0.000 0.999 859 V HN 0.929 nan 8.190 nan 0.000 0.424 860 A N 3.110 126.016 122.820 0.144 0.000 2.393 860 A HA 0.831 5.151 4.320 -0.001 0.000 0.306 860 A C -0.784 176.890 177.584 0.151 0.000 1.050 860 A CA -0.583 51.527 52.037 0.122 0.000 0.724 860 A CB 1.659 20.698 19.000 0.066 0.000 1.248 860 A HN 0.862 nan 8.150 nan 0.000 0.424 861 E N 2.804 123.048 120.200 0.075 0.000 2.176 861 E HA 0.384 4.734 4.350 -0.001 0.000 0.267 861 E C 0.099 176.607 176.600 -0.153 0.000 0.893 861 E CA -0.598 55.728 56.400 -0.123 0.000 0.761 861 E CB 0.559 30.242 29.700 -0.028 0.000 1.133 861 E HN 0.757 nan 8.360 nan 0.000 0.409 862 N N 3.443 122.001 118.700 -0.236 0.000 1.414 862 N HA -0.308 4.431 4.740 -0.001 0.000 0.142 862 N C -0.012 175.459 175.510 -0.065 0.000 0.587 862 N CA 1.882 54.850 53.050 -0.137 0.000 1.068 862 N CB -0.961 37.452 38.487 -0.123 0.000 1.317 862 N HN 0.604 nan 8.380 nan 0.000 0.463 863 N N 1.864 120.537 118.700 -0.045 0.000 2.321 863 N HA 0.175 4.914 4.740 -0.001 0.000 0.242 863 N C -0.733 174.770 175.510 -0.012 0.000 1.141 863 N CA 0.136 53.173 53.050 -0.023 0.000 0.864 863 N CB 0.341 38.817 38.487 -0.018 0.000 1.100 863 N HN 0.294 nan 8.380 nan 0.000 0.510 864 Q N 0.828 120.622 119.800 -0.010 0.000 2.227 864 Q HA 0.427 4.766 4.340 -0.001 0.000 0.245 864 Q C -2.055 173.955 176.000 0.018 0.000 0.926 864 Q CA -1.657 54.151 55.803 0.008 0.000 0.895 864 Q CB 0.586 29.334 28.738 0.017 0.000 1.230 864 Q HN 0.173 nan 8.270 nan 0.000 0.450 865 P HA 0.105 nan 4.420 nan 0.000 0.274 865 P C -0.587 176.735 177.300 0.036 0.000 1.237 865 P CA -0.308 62.806 63.100 0.024 0.000 0.793 865 P CB 0.589 32.301 31.700 0.021 0.000 0.977 866 M N 2.396 122.015 119.600 0.032 0.000 2.252 866 M HA 0.071 4.551 4.480 -0.001 0.000 0.348 866 M C 0.308 176.637 176.300 0.049 0.000 1.334 866 M CA 0.918 56.242 55.300 0.041 0.000 1.071 866 M CB -0.695 31.920 32.600 0.025 0.000 1.763 866 M HN 0.313 nan 8.290 nan 0.000 0.452 867 N N 1.647 120.388 118.700 0.068 0.000 2.269 867 N HA 0.501 5.241 4.740 -0.001 0.000 0.304 867 N C -0.711 174.855 175.510 0.094 0.000 1.072 867 N CA -0.474 52.622 53.050 0.076 0.000 0.802 867 N CB 1.740 40.279 38.487 0.086 0.000 1.348 867 N HN 0.694 nan 8.380 nan 0.000 0.484 868 A N 1.016 123.888 122.820 0.087 0.000 2.531 868 A HA 0.037 4.356 4.320 -0.001 0.000 0.236 868 A C -0.240 177.442 177.584 0.164 0.000 1.062 868 A CA 0.594 52.697 52.037 0.110 0.000 0.760 868 A CB -0.327 18.724 19.000 0.085 0.000 0.995 868 A HN 0.814 nan 8.150 nan 0.000 0.501 869 H N 0.748 119.877 119.070 0.098 0.000 2.658 869 H HA 0.450 5.006 4.556 -0.001 0.000 0.337 869 H C 0.814 176.283 175.328 0.236 0.000 1.009 869 H CA 0.065 56.189 56.048 0.126 0.000 1.231 869 H CB 1.664 31.486 29.762 0.101 0.000 1.508 869 H HN 0.530 nan 8.280 nan 0.000 0.517 870 S N 2.655 118.253 115.700 -0.170 0.000 2.486 870 S HA -0.011 4.459 4.470 -0.001 0.000 0.220 870 S C 0.824 175.366 174.600 -0.096 0.000 1.011 870 S CA -0.242 57.943 58.200 -0.025 0.000 0.921 870 S CB 0.029 63.173 63.200 -0.093 0.000 0.785 870 S HN 0.586 nan 8.310 nan 0.000 0.517 871 N N 1.852 120.420 118.700 -0.221 0.000 2.555 871 N HA 0.342 5.082 4.740 -0.001 0.000 0.244 871 N C -1.262 174.411 175.510 0.273 0.000 1.114 871 N CA -0.476 52.542 53.050 -0.053 0.000 0.963 871 N CB -0.338 38.114 38.487 -0.059 0.000 1.276 871 N HN 0.520 nan 8.380 nan 0.000 0.510 872 F N -0.657 119.333 119.950 0.066 0.000 2.628 872 F HA 0.510 5.037 4.527 -0.001 0.000 0.309 872 F C -1.037 174.783 175.800 0.034 0.000 1.108 872 F CA -0.923 57.114 58.000 0.062 0.000 0.971 872 F CB 1.066 40.118 39.000 0.086 0.000 1.279 872 F HN -0.124 nan 8.300 nan 0.000 0.441 873 T N 2.733 117.367 114.554 0.133 0.000 2.809 873 T HA 0.305 4.655 4.350 -0.001 0.000 0.284 873 T C -1.848 172.949 174.700 0.161 0.000 0.992 873 T CA -0.453 61.685 62.100 0.062 0.000 0.957 873 T CB 0.778 69.636 68.868 -0.017 0.000 0.942 873 T HN 0.655 nan 8.240 nan 0.000 0.439 874 Y N 3.075 123.418 120.300 0.073 0.000 2.326 874 Y HA 0.482 5.032 4.550 -0.001 0.000 0.337 874 Y C -0.349 175.552 175.900 0.002 0.000 1.023 874 Y CA -1.207 56.919 58.100 0.042 0.000 1.143 874 Y CB 0.923 39.434 38.460 0.084 0.000 1.183 874 Y HN 0.505 nan 8.280 nan 0.000 0.485 875 D N 4.572 124.598 120.400 -0.624 0.000 2.373 875 D HA 0.366 5.005 4.640 -0.001 0.000 0.227 875 D C 0.356 176.158 176.300 -0.831 0.000 1.091 875 D CA 0.001 53.685 54.000 -0.527 0.000 0.840 875 D CB 1.593 42.205 40.800 -0.313 0.000 1.060 875 D HN 0.722 nan 8.370 nan 0.000 0.502 876 A N 2.884 125.402 122.820 -0.503 0.000 2.119 876 A HA -0.036 4.283 4.320 -0.001 0.000 0.217 876 A C 1.986 179.480 177.584 -0.152 0.000 1.153 876 A CA 0.905 52.791 52.037 -0.251 0.000 0.692 876 A CB -0.090 18.934 19.000 0.039 0.000 0.799 876 A HN 0.535 nan 8.150 nan 0.000 0.458 877 S N 0.927 116.531 115.700 -0.160 0.000 2.335 877 S HA -0.088 4.382 4.470 -0.001 0.000 0.217 877 S C 1.510 176.048 174.600 -0.104 0.000 1.032 877 S CA 1.227 59.366 58.200 -0.103 0.000 0.985 877 S CB -0.304 62.842 63.200 -0.091 0.000 0.896 877 S HN 0.648 nan 8.310 nan 0.000 0.445 878 N N 0.802 119.417 118.700 -0.142 0.000 2.280 878 N HA 0.132 4.872 4.740 -0.001 0.000 0.192 878 N C -0.502 174.936 175.510 -0.121 0.000 1.109 878 N CA 0.078 53.061 53.050 -0.113 0.000 0.855 878 N CB 0.082 38.502 38.487 -0.112 0.000 0.974 878 N HN 0.394 nan 8.380 nan 0.000 0.482 879 Q N -0.294 119.386 119.800 -0.200 0.000 2.468 879 Q HA -0.138 4.201 4.340 -0.001 0.000 0.289 879 Q C -1.082 174.822 176.000 -0.160 0.000 1.299 879 Q CA 0.344 56.049 55.803 -0.162 0.000 0.838 879 Q CB -1.782 26.976 28.738 0.032 0.000 1.195 879 Q HN 0.041 nan 8.270 nan 0.000 0.456 880 V N 1.258 120.989 119.914 -0.305 0.000 2.448 880 V HA 0.443 4.562 4.120 -0.001 0.000 0.295 880 V C -0.101 175.883 176.094 -0.184 0.000 1.025 880 V CA -0.838 61.328 62.300 -0.224 0.000 0.859 880 V CB 1.646 33.339 31.823 -0.216 0.000 0.988 880 V HN 0.281 nan 8.190 nan 0.000 0.431 881 L N 6.137 127.310 121.223 -0.083 0.000 2.265 881 L HA 0.585 4.925 4.340 -0.001 0.000 0.288 881 L C -0.603 176.188 176.870 -0.132 0.000 1.058 881 L CA -0.124 54.697 54.840 -0.031 0.000 0.809 881 L CB 1.190 43.171 42.059 -0.131 0.000 1.179 881 L HN 0.663 nan 8.230 nan 0.000 0.429 882 L N 7.002 128.190 121.223 -0.057 0.000 2.272 882 L HA 0.575 4.915 4.340 -0.001 0.000 0.289 882 L C -0.880 175.993 176.870 0.005 0.000 1.032 882 L CA 0.088 54.888 54.840 -0.067 0.000 0.810 882 L CB 0.790 42.815 42.059 -0.057 0.000 1.205 882 L HN 0.545 nan 8.230 nan 0.000 0.422 883 I N 6.081 126.623 120.570 -0.047 0.000 2.328 883 I HA 0.639 4.809 4.170 -0.001 0.000 0.287 883 I C 0.218 176.342 176.117 0.012 0.000 1.012 883 I CA -0.305 61.007 61.300 0.020 0.000 1.195 883 I CB 1.212 39.152 38.000 -0.100 0.000 1.350 883 I HN 0.798 nan 8.210 nan 0.000 0.464 884 A N 3.543 126.432 122.820 0.114 0.000 2.309 884 A HA 0.668 4.987 4.320 -0.001 0.000 0.317 884 A C 0.123 177.815 177.584 0.180 0.000 1.134 884 A CA -0.344 51.742 52.037 0.083 0.000 0.866 884 A CB 0.676 19.701 19.000 0.040 0.000 1.329 884 A HN 0.759 nan 8.150 nan 0.000 0.477 885 D N -1.659 118.801 120.400 0.099 0.000 2.945 885 D HA -0.129 4.511 4.640 -0.001 0.000 0.225 885 D C -0.367 176.045 176.300 0.186 0.000 1.158 885 D CA 1.102 55.169 54.000 0.111 0.000 0.805 885 D CB -1.627 39.217 40.800 0.073 0.000 1.098 885 D HN 0.460 nan 8.370 nan 0.000 0.426 886 L N -0.683 120.596 121.223 0.094 0.000 2.439 886 L HA 0.409 4.748 4.340 -0.001 0.000 0.261 886 L C 0.952 177.806 176.870 -0.026 0.000 1.153 886 L CA -0.240 54.605 54.840 0.008 0.000 0.808 886 L CB 0.735 42.700 42.059 -0.156 0.000 1.126 886 L HN -0.172 nan 8.230 nan 0.000 0.460 887 K N 2.729 123.101 120.400 -0.047 0.000 2.842 887 K HA 0.398 4.718 4.320 -0.001 0.000 0.176 887 K C -1.451 175.082 176.600 -0.110 0.000 1.080 887 K CA 0.008 56.267 56.287 -0.047 0.000 0.954 887 K CB 0.031 32.541 32.500 0.016 0.000 1.203 887 K HN 0.410 nan 8.250 nan 0.000 0.611 888 L N 2.798 123.864 121.223 -0.261 0.000 2.360 888 L HA 0.431 4.770 4.340 -0.001 0.000 0.265 888 L C -0.394 176.368 176.870 -0.179 0.000 1.066 888 L CA -0.927 53.517 54.840 -0.660 0.000 0.929 888 L CB 0.466 41.895 42.059 -1.049 0.000 1.306 888 L HN 0.363 nan 8.230 nan 0.000 0.434 889 N N 1.745 120.552 118.700 0.178 0.000 2.492 889 N HA 0.256 4.996 4.740 -0.001 0.000 0.260 889 N C -0.326 175.402 175.510 0.364 0.000 1.215 889 N CA -0.442 52.725 53.050 0.194 0.000 0.923 889 N CB 0.722 39.315 38.487 0.175 0.000 1.092 889 N HN 0.262 nan 8.380 nan 0.000 0.448 890 L N 1.439 122.785 121.223 0.206 0.000 2.483 890 L HA 0.184 4.524 4.340 -0.001 0.000 0.276 890 L C 1.651 178.731 176.870 0.350 0.000 1.213 890 L CA 1.168 56.242 54.840 0.390 0.000 0.843 890 L CB -0.048 42.163 42.059 0.254 0.000 1.107 890 L HN 0.862 nan 8.230 nan 0.000 0.487 891 G N 1.891 110.924 108.800 0.389 0.000 2.194 891 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.236 891 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.236 891 G C 0.508 175.476 174.900 0.113 0.000 0.987 891 G CA -0.121 45.071 45.100 0.154 0.000 0.635 891 G HN 0.521 nan 8.290 nan 0.000 0.520 892 R N 0.008 120.649 120.500 0.235 0.000 2.803 892 R HA 0.527 4.867 4.340 -0.001 0.000 0.276 892 R C -0.848 175.429 176.300 -0.038 0.000 0.978 892 R CA -0.991 55.105 56.100 -0.007 0.000 0.939 892 R CB 0.880 31.077 30.300 -0.172 0.000 1.179 892 R HN 0.123 nan 8.270 nan 0.000 0.472 893 N N 1.449 119.999 118.700 -0.251 0.000 2.498 893 N HA 0.386 5.125 4.740 -0.001 0.000 0.287 893 N C -1.083 174.128 175.510 -0.498 0.000 1.097 893 N CA 0.221 53.188 53.050 -0.139 0.000 0.973 893 N CB 0.840 39.294 38.487 -0.056 0.000 1.153 893 N HN 0.276 nan 8.380 nan 0.000 0.472 894 F N -0.654 119.397 119.950 0.170 0.000 2.588 894 F HA 0.409 4.936 4.527 -0.001 0.000 0.310 894 F C 0.073 175.921 175.800 0.079 0.000 1.082 894 F CA -0.820 57.245 58.000 0.108 0.000 0.929 894 F CB 1.717 40.775 39.000 0.096 0.000 1.254 894 F HN 0.135 nan 8.300 nan 0.000 0.455 895 S N 1.304 117.140 115.700 0.226 0.000 2.482 895 S HA 0.804 5.274 4.470 -0.001 0.000 0.303 895 S C -1.013 173.657 174.600 0.116 0.000 1.091 895 S CA -0.808 57.472 58.200 0.133 0.000 1.057 895 S CB 1.997 65.235 63.200 0.063 0.000 1.031 895 S HN 0.336 nan 8.310 nan 0.000 0.485 896 V N 3.164 123.130 119.914 0.087 0.000 2.540 896 V HA 0.473 4.592 4.120 -0.001 0.000 0.302 896 V C -0.590 175.535 176.094 0.052 0.000 1.035 896 V CA -0.725 61.625 62.300 0.083 0.000 0.873 896 V CB 1.658 33.537 31.823 0.094 0.000 0.992 896 V HN 0.861 nan 8.190 nan 0.000 0.428 897 Q N 3.628 123.431 119.800 0.005 0.000 2.337 897 Q HA 0.612 4.951 4.340 -0.001 0.000 0.266 897 Q C -1.208 174.781 176.000 -0.019 0.000 1.023 897 Q CA -0.609 55.097 55.803 -0.161 0.000 0.829 897 Q CB 2.815 31.450 28.738 -0.171 0.000 1.306 897 Q HN 0.838 nan 8.270 nan 0.000 0.449 898 W N 0.000 121.209 121.300 -0.152 0.000 2.388 898 W HA 0.000 4.660 4.660 -0.001 0.000 0.303 898 W CA 0.000 57.220 57.345 -0.208 0.000 1.226 898 W CB 0.000 29.322 29.460 -0.230 0.000 1.126 898 W HN 0.000 nan 8.180 nan 0.000 0.535