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 1l2o_1_A DATA FIRST_RESID 5 DATA SEQUENCE FSDPDFQYLA VDRKKLMKXX XXAFDGKKNC WVPDEKEGFA SAEIQSSKGD DATA SEQUENCE EITVKIVADS STRTVKKDDI QSMNPPKFEK LEDMANMTYL NEASVLYNLR DATA SEQUENCE SRYTSGLIYT YSGLFCIAVN PYRRLPIYTD SVIAKYRGKR KTEIPPHLFS DATA SEQUENCE VADNAYQNMV TDRENQSCLI TGESGAGKTE NTKKVIMYLA KVACAVXXXX DATA SEQUENCE XXXXXXKEGS LEDQIIQANP VLEAYGNAKT TRNNNSSRFG KFIRIHFGPT DATA SEQUENCE GKIAGADIET YLLEKSRVTY QQSAERNYHI FYQICSNAIP ELNDVMLVTP DATA SEQUENCE DSGLYSFINQ GCLTVDNIDD VEEFKLCDEA FDILGFTKEE KQSMFKCTAS DATA SEQUENCE ILHMGEMKFX XXXXXXQAES DGTAEAEKVA FLCGINAGDL LKALLKPKVX DATA SEQUENCE XXTEMVTKGQ NMNQVVNSVG ALAKSLYDRM FNWLVRRVNK TLDTKAKRNY DATA SEQUENCE YIGVLDIAGF EIFDFNSFEQ LCINYTNERL QQFFNHHMFI LEQEEYKKEG DATA SEQUENCE IAWEFIDFGM DLQMCIDLIE KPMGILSILE EECMFPKADD KSFQDKLYQN DATA SEQUENCE HMGKNRMFTK PGKXXRPNQG PAHFELHHYA GNVPYSITGW LEKNKDPINE DATA SEQUENCE NVVALLGASK EPLVAELFKA XXXXXXXXXX XXXXXXXFQT ISAVHRESLN DATA SEQUENCE KLMKNLYSTH PHFVRCIIPN ELKQPGLVDA ELVLHQLQCN GVLXXXXXXR DATA SEQUENCE KGFPSRLIYS EFKQRYSILA PNAIXXXXXD GKTVSEKILA GLQMDPAEYR DATA SEQUENCE LGTTKVFFKA GVLGNLEEMR DERLSKIISM FQAHIRGYLI RKAYKKLQDQ DATA SEQUENCE RIGLSVIQRN IRKWLVLRNW QWWKLYSKVK P VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 F HA 0.000 nan 4.527 nan 0.000 0.279 5 F C 0.000 175.769 175.800 -0.052 0.000 0.967 5 F CA 0.000 57.936 58.000 -0.107 0.000 1.383 5 F CB 0.000 38.866 39.000 -0.223 0.000 1.145 6 S N 0.641 116.512 115.700 0.285 0.000 2.589 6 S HA 0.750 5.211 4.470 -0.015 0.000 0.272 6 S C -1.421 173.424 174.600 0.408 0.000 1.096 6 S CA 0.008 58.350 58.200 0.236 0.000 0.985 6 S CB 0.968 64.243 63.200 0.124 0.000 1.278 6 S HN 0.921 nan 8.310 nan 0.000 0.528 7 D N 0.177 120.757 120.400 0.299 0.000 2.492 7 D HA 0.185 4.817 4.640 -0.015 0.000 0.229 7 D C -2.250 174.179 176.300 0.215 0.000 1.345 7 D CA -0.707 53.498 54.000 0.340 0.000 0.912 7 D CB -0.274 40.730 40.800 0.340 0.000 1.526 7 D HN 0.248 nan 8.370 nan 0.000 0.505 8 P HA 0.136 nan 4.420 nan 0.000 0.207 8 P C -0.149 177.173 177.300 0.038 0.000 1.212 8 P CA 0.786 63.921 63.100 0.058 0.000 0.914 8 P CB 0.626 32.326 31.700 -0.000 0.000 0.750 9 D N -1.313 119.063 120.400 -0.041 0.000 2.980 9 D HA 0.172 4.803 4.640 -0.015 0.000 0.333 9 D C 0.171 176.447 176.300 -0.041 0.000 1.356 9 D CA -0.254 53.728 54.000 -0.029 0.000 0.847 9 D CB 0.046 40.821 40.800 -0.043 0.000 1.122 9 D HN -0.020 nan 8.370 nan 0.000 0.475 10 F N 1.560 121.502 119.950 -0.014 0.000 2.789 10 F HA -0.004 4.514 4.527 -0.016 0.000 0.300 10 F C 2.367 178.130 175.800 -0.062 0.000 1.132 10 F CA 0.220 58.195 58.000 -0.043 0.000 1.404 10 F CB 0.133 39.052 39.000 -0.136 0.000 1.114 10 F HN 0.131 nan 8.300 nan 0.000 0.584 11 Q N 0.748 120.630 119.800 0.137 0.000 1.706 11 Q HA -0.331 4.001 4.340 -0.015 0.000 0.379 11 Q C 1.223 177.248 176.000 0.041 0.000 1.032 11 Q CA 2.690 58.534 55.803 0.068 0.000 0.883 11 Q CB -1.125 27.645 28.738 0.053 0.000 0.968 11 Q HN 0.412 nan 8.270 nan 0.000 0.403 12 Y N -0.324 119.992 120.300 0.028 0.000 2.867 12 Y HA 0.690 5.231 4.550 -0.015 0.000 0.351 12 Y C 1.087 176.992 175.900 0.007 0.000 1.046 12 Y CA 0.230 58.336 58.100 0.010 0.000 1.520 12 Y CB 0.218 38.678 38.460 -0.000 0.000 1.337 12 Y HN 0.594 nan 8.280 nan 0.000 0.525 13 L N -2.309 118.935 121.223 0.035 0.000 2.860 13 L HA 0.734 5.066 4.340 -0.015 0.000 0.251 13 L C 1.652 178.589 176.870 0.112 0.000 1.041 13 L CA 1.475 56.341 54.840 0.043 0.000 0.985 13 L CB -0.209 41.875 42.059 0.042 0.000 1.656 13 L HN 0.905 nan 8.230 nan 0.000 0.526 14 A N -2.274 120.635 122.820 0.148 0.000 1.917 14 A HA 0.573 4.884 4.320 -0.015 0.000 0.200 14 A C 1.640 179.268 177.584 0.072 0.000 1.671 14 A CA 1.596 53.742 52.037 0.183 0.000 1.034 14 A CB 0.898 20.122 19.000 0.374 0.000 1.057 14 A HN 0.717 nan 8.150 nan 0.000 0.507 15 V N -1.426 118.470 119.914 -0.029 0.000 4.060 15 V HA 0.331 4.442 4.120 -0.015 0.000 0.170 15 V C 0.857 176.912 176.094 -0.065 0.000 1.358 15 V CA 1.571 63.831 62.300 -0.066 0.000 1.213 15 V CB -0.295 31.421 31.823 -0.179 0.000 1.269 15 V HN 1.068 nan 8.190 nan 0.000 0.591 16 D N 0.129 120.447 120.400 -0.137 0.000 2.718 16 D HA -0.091 4.541 4.640 -0.015 0.000 0.242 16 D C 0.567 176.876 176.300 0.014 0.000 1.123 16 D CA 1.575 55.538 54.000 -0.062 0.000 0.690 16 D CB -1.983 38.809 40.800 -0.012 0.000 1.059 16 D HN 0.917 nan 8.370 nan 0.000 0.429 17 R N -1.361 119.178 120.500 0.065 0.000 2.515 17 R HA 0.747 5.078 4.340 -0.015 0.000 0.294 17 R C 2.107 178.507 176.300 0.168 0.000 1.021 17 R CA 1.620 57.796 56.100 0.127 0.000 1.081 17 R CB -0.643 29.729 30.300 0.120 0.000 1.263 17 R HN 1.538 nan 8.270 nan 0.000 0.557 18 K N -0.571 119.951 120.400 0.202 0.000 2.360 18 K HA 0.306 4.617 4.320 -0.015 0.000 0.196 18 K C 1.844 178.491 176.600 0.078 0.000 1.049 18 K CA 0.938 57.300 56.287 0.125 0.000 1.049 18 K CB 0.117 32.689 32.500 0.120 0.000 0.881 18 K HN 0.576 nan 8.250 nan 0.000 0.542 19 K N -0.147 120.301 120.400 0.080 0.000 2.414 19 K HA 0.736 5.048 4.320 -0.015 0.000 0.204 19 K C 1.462 178.088 176.600 0.043 0.000 1.026 19 K CA 0.783 57.103 56.287 0.055 0.000 1.108 19 K CB -0.635 31.899 32.500 0.057 0.000 0.855 19 K HN 0.755 nan 8.250 nan 0.000 0.517 20 L N -2.357 118.893 121.223 0.044 0.000 3.099 20 L HA 0.790 5.122 4.340 -0.015 0.000 0.165 20 L C 1.980 178.870 176.870 0.033 0.000 1.151 20 L CA 0.571 55.431 54.840 0.034 0.000 0.878 20 L CB -0.947 41.131 42.059 0.030 0.000 1.615 20 L HN 0.645 nan 8.230 nan 0.000 0.545 21 M N 1.867 121.489 119.600 0.037 0.000 2.427 21 M HA 0.655 5.126 4.480 -0.015 0.000 0.345 21 M C 0.192 176.508 176.300 0.026 0.000 1.653 21 M CA 0.444 55.763 55.300 0.032 0.000 1.138 21 M CB -2.331 30.290 32.600 0.036 0.000 1.995 21 M HN 1.550 nan 8.290 nan 0.000 0.459 28 F N 2.028 121.966 119.950 -0.020 0.000 2.556 28 F HA 0.735 5.253 4.527 -0.014 0.000 0.314 28 F C -0.879 174.912 175.800 -0.016 0.000 1.106 28 F CA -0.275 57.711 58.000 -0.023 0.000 0.911 28 F CB 2.126 41.118 39.000 -0.014 0.000 1.190 28 F HN 0.556 nan 8.300 nan 0.000 0.448 29 D N 3.244 123.254 120.400 -0.649 0.000 2.375 29 D HA 0.248 4.879 4.640 -0.015 0.000 0.241 29 D C 0.554 176.460 176.300 -0.656 0.000 1.361 29 D CA -0.280 53.465 54.000 -0.425 0.000 0.995 29 D CB 1.172 41.834 40.800 -0.230 0.000 1.312 29 D HN 0.718 nan 8.370 nan 0.000 0.576 30 G N 2.875 111.412 108.800 -0.437 0.000 3.024 30 G HA2 -0.162 3.790 3.960 -0.015 0.000 0.202 30 G HA3 -0.162 3.790 3.960 -0.015 0.000 0.202 30 G C 1.105 175.933 174.900 -0.120 0.000 1.195 30 G CA 0.342 45.323 45.100 -0.200 0.000 0.924 30 G HN 0.339 nan 8.290 nan 0.000 0.500 31 K N -0.747 119.546 120.400 -0.179 0.000 2.370 31 K HA 0.282 4.593 4.320 -0.015 0.000 0.194 31 K C 1.984 178.501 176.600 -0.138 0.000 1.070 31 K CA 0.485 56.702 56.287 -0.116 0.000 0.998 31 K CB 0.506 32.952 32.500 -0.089 0.000 0.911 31 K HN 0.166 nan 8.250 nan 0.000 0.533 32 K N -0.466 119.814 120.400 -0.200 0.000 2.450 32 K HA 0.229 4.541 4.320 -0.015 0.000 0.206 32 K C -0.401 176.067 176.600 -0.221 0.000 1.148 32 K CA -0.127 56.053 56.287 -0.178 0.000 1.014 32 K CB 0.804 33.207 32.500 -0.160 0.000 0.966 32 K HN -0.058 nan 8.250 nan 0.000 0.566 33 N N 1.699 120.201 118.700 -0.329 0.000 2.419 33 N HA 0.202 4.933 4.740 -0.015 0.000 0.264 33 N C -0.414 174.946 175.510 -0.250 0.000 1.031 33 N CA 0.024 52.857 53.050 -0.362 0.000 0.951 33 N CB 1.396 39.481 38.487 -0.669 0.000 1.101 33 N HN 0.214 nan 8.380 nan 0.000 0.488 34 C N 0.539 119.680 119.300 -0.265 0.000 3.295 34 C HA 0.622 5.073 4.460 -0.015 0.000 0.341 34 C C -1.907 172.930 174.990 -0.255 0.000 1.418 34 C CA -1.326 57.574 59.018 -0.198 0.000 1.240 34 C CB 0.324 28.010 27.740 -0.090 0.000 1.562 34 C HN 0.705 nan 8.230 nan 0.000 0.457 35 W N 1.541 122.771 121.300 -0.117 0.000 2.478 35 W HA 0.665 5.319 4.660 -0.011 0.000 0.318 35 W C 0.122 176.589 176.519 -0.087 0.000 1.062 35 W CA -0.540 56.731 57.345 -0.124 0.000 1.210 35 W CB 1.727 31.016 29.460 -0.285 0.000 1.325 35 W HN 0.813 nan 8.180 nan 0.000 0.496 36 V N 1.012 121.101 119.914 0.292 0.000 3.019 36 V HA 0.725 4.836 4.120 -0.015 0.000 0.317 36 V C -2.726 173.640 176.094 0.453 0.000 1.094 36 V CA -3.591 58.864 62.300 0.259 0.000 1.000 36 V CB 1.608 33.521 31.823 0.150 0.000 1.060 36 V HN 0.257 nan 8.190 nan 0.000 0.443 37 P HA 0.296 nan 4.420 nan 0.000 0.275 37 P C -1.163 176.213 177.300 0.128 0.000 1.227 37 P CA 0.268 63.535 63.100 0.278 0.000 0.781 37 P CB 0.397 32.191 31.700 0.156 0.000 0.906 38 D N 1.979 122.394 120.400 0.025 0.000 2.696 38 D HA 0.171 4.802 4.640 -0.015 0.000 0.251 38 D C 0.947 177.220 176.300 -0.044 0.000 1.188 38 D CA -0.235 53.779 54.000 0.024 0.000 0.876 38 D CB 1.398 42.245 40.800 0.079 0.000 1.334 38 D HN 0.281 nan 8.370 nan 0.000 0.540 39 E N 2.812 122.996 120.200 -0.027 0.000 2.265 39 E HA -0.182 4.160 4.350 -0.015 0.000 0.196 39 E C 1.717 178.294 176.600 -0.037 0.000 0.996 39 E CA 2.214 58.589 56.400 -0.042 0.000 0.832 39 E CB -0.542 29.143 29.700 -0.024 0.000 0.756 39 E HN 0.663 nan 8.360 nan 0.000 0.491 40 K N 0.373 120.765 120.400 -0.015 0.000 2.108 40 K HA 0.137 4.448 4.320 -0.015 0.000 0.204 40 K C 1.841 178.442 176.600 0.002 0.000 1.036 40 K CA 1.018 57.303 56.287 -0.002 0.000 0.965 40 K CB 0.038 32.548 32.500 0.017 0.000 0.804 40 K HN 0.266 nan 8.250 nan 0.000 0.454 41 E N -0.291 119.922 120.200 0.022 0.000 2.419 41 E HA 0.227 4.568 4.350 -0.015 0.000 0.190 41 E C 1.191 177.792 176.600 0.002 0.000 1.040 41 E CA 0.196 56.623 56.400 0.046 0.000 0.900 41 E CB 0.184 29.953 29.700 0.115 0.000 1.054 41 E HN 0.657 nan 8.360 nan 0.000 0.462 42 G N 1.012 109.748 108.800 -0.106 0.000 4.754 42 G HA2 -0.339 3.612 3.960 -0.015 0.000 0.222 42 G HA3 -0.339 3.612 3.960 -0.015 0.000 0.222 42 G C 0.186 174.782 174.900 -0.507 0.000 1.377 42 G CA 0.580 45.484 45.100 -0.326 0.000 0.942 42 G HN 0.269 nan 8.290 nan 0.000 0.671 43 F N 1.004 120.988 119.950 0.056 0.000 2.640 43 F HA 0.864 5.381 4.527 -0.016 0.000 0.324 43 F C 0.459 176.412 175.800 0.256 0.000 1.077 43 F CA -0.450 57.626 58.000 0.126 0.000 0.965 43 F CB 2.227 41.251 39.000 0.039 0.000 1.351 43 F HN 0.901 nan 8.300 nan 0.000 0.487 44 A N 0.553 123.733 122.820 0.601 0.000 2.517 44 A HA 0.579 4.890 4.320 -0.015 0.000 0.297 44 A C -1.071 176.681 177.584 0.281 0.000 1.050 44 A CA -0.678 51.608 52.037 0.415 0.000 0.694 44 A CB 1.495 20.630 19.000 0.225 0.000 1.277 44 A HN 0.589 nan 8.150 nan 0.000 0.400 45 S N 0.554 116.266 115.700 0.021 0.000 2.531 45 S HA 0.661 5.122 4.470 -0.015 0.000 0.279 45 S C 0.194 174.688 174.600 -0.176 0.000 1.305 45 S CA 0.548 58.524 58.200 -0.373 0.000 1.058 45 S CB 0.264 63.158 63.200 -0.509 0.000 0.899 45 S HN 2.159 nan 8.310 nan 0.000 0.493 46 A N 4.228 126.926 122.820 -0.203 0.000 2.602 46 A HA 0.719 5.031 4.320 -0.015 0.000 0.290 46 A C -1.302 176.198 177.584 -0.140 0.000 1.114 46 A CA -0.839 51.128 52.037 -0.118 0.000 0.683 46 A CB 1.150 20.120 19.000 -0.050 0.000 1.281 46 A HN 0.748 nan 8.150 nan 0.000 0.416 47 E N 0.347 120.485 120.200 -0.103 0.000 2.195 47 E HA 0.528 4.869 4.350 -0.015 0.000 0.271 47 E C -0.962 175.588 176.600 -0.083 0.000 0.923 47 E CA -0.549 55.785 56.400 -0.110 0.000 0.790 47 E CB 1.883 31.524 29.700 -0.098 0.000 1.155 47 E HN 0.528 nan 8.360 nan 0.000 0.402 48 I N 3.339 123.856 120.570 -0.088 0.000 2.416 48 I HA -0.000 4.161 4.170 -0.015 0.000 0.288 48 I C 1.090 177.173 176.117 -0.057 0.000 1.051 48 I CA -0.152 61.109 61.300 -0.066 0.000 1.375 48 I CB 0.761 38.719 38.000 -0.069 0.000 1.407 48 I HN 0.487 nan 8.210 nan 0.000 0.516 49 Q N 3.741 123.515 119.800 -0.043 0.000 2.388 49 Q HA 0.145 4.476 4.340 -0.015 0.000 0.204 49 Q C 0.481 176.462 176.000 -0.032 0.000 0.946 49 Q CA 0.710 56.491 55.803 -0.037 0.000 0.880 49 Q CB 0.596 29.316 28.738 -0.029 0.000 0.997 49 Q HN 0.837 nan 8.270 nan 0.000 0.552 50 S N -0.703 114.981 115.700 -0.028 0.000 2.661 50 S HA 0.757 5.218 4.470 -0.015 0.000 0.285 50 S C -0.573 174.013 174.600 -0.024 0.000 1.138 50 S CA -0.755 57.431 58.200 -0.024 0.000 0.855 50 S CB 2.330 65.518 63.200 -0.019 0.000 1.136 50 S HN -0.020 nan 8.310 nan 0.000 0.484 51 S N 0.098 115.784 115.700 -0.022 0.000 2.548 51 S HA 0.701 5.162 4.470 -0.015 0.000 0.286 51 S C -0.575 174.016 174.600 -0.016 0.000 1.098 51 S CA -0.887 57.301 58.200 -0.021 0.000 0.930 51 S CB 1.728 64.912 63.200 -0.026 0.000 1.070 51 S HN 0.814 nan 8.310 nan 0.000 0.480 52 K N 0.810 121.202 120.400 -0.014 0.000 3.017 52 K HA 0.399 4.710 4.320 -0.015 0.000 0.178 52 K C 0.425 177.020 176.600 -0.008 0.000 1.103 52 K CA 0.444 56.725 56.287 -0.009 0.000 1.084 52 K CB -0.085 32.410 32.500 -0.007 0.000 0.711 52 K HN 1.071 nan 8.250 nan 0.000 0.416 53 G N 0.896 109.689 108.800 -0.012 0.000 2.481 53 G HA2 -0.237 3.715 3.960 -0.015 0.000 0.230 53 G HA3 -0.237 3.715 3.960 -0.015 0.000 0.230 53 G C -0.693 174.200 174.900 -0.012 0.000 1.210 53 G CA -0.133 44.960 45.100 -0.011 0.000 0.936 53 G HN 0.281 nan 8.290 nan 0.000 0.583 54 D N 2.260 122.655 120.400 -0.008 0.000 2.948 54 D HA 0.201 4.832 4.640 -0.015 0.000 0.241 54 D C 0.817 177.115 176.300 -0.004 0.000 1.198 54 D CA 0.977 54.973 54.000 -0.007 0.000 0.926 54 D CB 0.069 40.867 40.800 -0.003 0.000 1.151 54 D HN 0.502 nan 8.370 nan 0.000 0.441 55 E N 0.815 121.011 120.200 -0.006 0.000 4.170 55 E HA 0.101 4.442 4.350 -0.015 0.000 0.199 55 E C -0.091 176.505 176.600 -0.007 0.000 1.080 55 E CA -0.282 56.115 56.400 -0.004 0.000 1.446 55 E CB 0.408 30.106 29.700 -0.003 0.000 1.170 55 E HN 0.195 nan 8.360 nan 0.000 0.429 56 I N 2.261 122.825 120.570 -0.010 0.000 2.792 56 I HA -0.050 4.112 4.170 -0.015 0.000 0.284 56 I C 0.377 176.487 176.117 -0.012 0.000 1.166 56 I CA 0.939 62.230 61.300 -0.015 0.000 1.375 56 I CB 0.285 38.273 38.000 -0.019 0.000 1.421 56 I HN 0.058 nan 8.210 nan 0.000 0.544 57 T N 7.005 121.551 114.554 -0.013 0.000 2.832 57 T HA 0.403 4.744 4.350 -0.015 0.000 0.296 57 T C 0.012 174.702 174.700 -0.017 0.000 0.968 57 T CA -0.409 61.684 62.100 -0.011 0.000 1.107 57 T CB 1.041 69.903 68.868 -0.011 0.000 0.916 57 T HN 0.486 nan 8.240 nan 0.000 0.517 58 V N 1.317 121.223 119.914 -0.013 0.000 3.159 58 V HA 0.785 4.896 4.120 -0.015 0.000 0.308 58 V C -0.863 175.221 176.094 -0.016 0.000 1.190 58 V CA -1.479 60.809 62.300 -0.021 0.000 1.037 58 V CB 2.206 34.014 31.823 -0.024 0.000 1.060 58 V HN 0.833 nan 8.190 nan 0.000 0.437 59 K N 3.003 123.388 120.400 -0.025 0.000 2.213 59 K HA 0.559 4.871 4.320 -0.015 0.000 0.270 59 K C -0.758 175.829 176.600 -0.022 0.000 1.002 59 K CA -0.765 55.509 56.287 -0.020 0.000 0.868 59 K CB 1.587 34.072 32.500 -0.024 0.000 1.093 59 K HN 0.676 nan 8.250 nan 0.000 0.454 60 I N 5.990 126.555 120.570 -0.008 0.000 2.483 60 I HA -0.080 4.082 4.170 -0.015 0.000 0.291 60 I C 1.662 177.772 176.117 -0.011 0.000 1.112 60 I CA 0.069 61.367 61.300 -0.003 0.000 1.350 60 I CB 0.274 38.284 38.000 0.017 0.000 1.419 60 I HN 0.664 nan 8.210 nan 0.000 0.523 61 V N 6.904 126.799 119.914 -0.032 0.000 2.313 61 V HA -0.377 3.734 4.120 -0.015 0.000 0.253 61 V C 2.417 178.503 176.094 -0.013 0.000 1.070 61 V CA 2.396 64.674 62.300 -0.037 0.000 1.057 61 V CB -0.930 30.852 31.823 -0.068 0.000 0.653 61 V HN 0.911 nan 8.190 nan 0.000 0.450 62 A N 1.479 124.300 122.820 0.001 0.000 1.827 62 A HA -0.257 4.054 4.320 -0.015 0.000 0.215 62 A C 2.021 179.617 177.584 0.019 0.000 1.212 62 A CA 1.981 54.030 52.037 0.021 0.000 0.624 62 A CB -0.862 18.162 19.000 0.040 0.000 0.853 62 A HN 0.709 nan 8.150 nan 0.000 0.450 63 D N -0.897 119.515 120.400 0.021 0.000 2.340 63 D HA 0.047 4.678 4.640 -0.015 0.000 0.220 63 D C 0.057 176.363 176.300 0.010 0.000 1.039 63 D CA 0.911 54.922 54.000 0.018 0.000 0.866 63 D CB -0.466 40.346 40.800 0.021 0.000 0.913 63 D HN 0.200 nan 8.370 nan 0.000 0.523 64 S N -0.379 115.324 115.700 0.005 0.000 3.608 64 S HA -0.148 4.314 4.470 -0.015 0.000 0.382 64 S C 0.236 174.836 174.600 0.000 0.000 0.945 64 S CA 0.645 58.844 58.200 -0.001 0.000 1.256 64 S CB -2.134 61.064 63.200 -0.002 0.000 0.913 64 S HN 0.761 nan 8.310 nan 0.000 0.518 65 S N -0.355 115.347 115.700 0.003 0.000 2.766 65 S HA 0.879 5.340 4.470 -0.015 0.000 0.307 65 S C -0.076 174.524 174.600 0.002 0.000 1.121 65 S CA -0.808 57.395 58.200 0.004 0.000 0.980 65 S CB 1.889 65.095 63.200 0.010 0.000 1.159 65 S HN 0.296 nan 8.310 nan 0.000 0.546 66 T N 1.289 115.845 114.554 0.003 0.000 2.876 66 T HA 0.798 5.139 4.350 -0.015 0.000 0.289 66 T C -0.455 174.248 174.700 0.004 0.000 1.014 66 T CA -0.864 61.236 62.100 0.001 0.000 0.986 66 T CB 1.317 70.183 68.868 -0.003 0.000 1.021 66 T HN 0.934 nan 8.240 nan 0.000 0.458 67 R N -0.342 120.161 120.500 0.005 0.000 2.728 67 R HA 0.734 5.065 4.340 -0.015 0.000 0.274 67 R C -1.238 175.066 176.300 0.007 0.000 1.030 67 R CA -1.049 55.056 56.100 0.008 0.000 0.876 67 R CB 0.812 31.121 30.300 0.015 0.000 1.259 67 R HN 0.648 nan 8.270 nan 0.000 0.468 68 T N -1.054 113.505 114.554 0.009 0.000 2.925 68 T HA 0.680 5.021 4.350 -0.015 0.000 0.285 68 T C -0.042 174.666 174.700 0.014 0.000 1.021 68 T CA -0.395 61.710 62.100 0.007 0.000 1.042 68 T CB 1.589 70.460 68.868 0.005 0.000 1.037 68 T HN 0.965 nan 8.240 nan 0.000 0.481 69 V N -0.844 119.077 119.914 0.013 0.000 2.752 69 V HA 0.551 4.662 4.120 -0.015 0.000 0.302 69 V C -0.430 175.673 176.094 0.015 0.000 1.133 69 V CA -1.460 60.853 62.300 0.022 0.000 0.919 69 V CB 1.308 33.152 31.823 0.035 0.000 1.026 69 V HN 1.041 nan 8.190 nan 0.000 0.429 70 K N 2.201 122.611 120.400 0.017 0.000 2.511 70 K HA 0.017 4.328 4.320 -0.015 0.000 0.280 70 K C 1.128 177.730 176.600 0.004 0.000 1.008 70 K CA 0.346 56.639 56.287 0.009 0.000 1.050 70 K CB 0.680 33.188 32.500 0.012 0.000 0.889 70 K HN 0.862 nan 8.250 nan 0.000 0.484 71 K N 2.587 122.983 120.400 -0.007 0.000 2.444 71 K HA -0.220 4.091 4.320 -0.015 0.000 0.200 71 K C 0.361 176.949 176.600 -0.021 0.000 1.045 71 K CA 1.659 57.935 56.287 -0.018 0.000 0.934 71 K CB 0.228 32.713 32.500 -0.025 0.000 0.756 71 K HN 0.510 nan 8.250 nan 0.000 0.477 72 D N 0.322 120.716 120.400 -0.010 0.000 2.290 72 D HA -0.081 4.550 4.640 -0.015 0.000 0.224 72 D C 0.957 177.257 176.300 0.001 0.000 0.967 72 D CA 0.530 54.524 54.000 -0.010 0.000 0.893 72 D CB -0.251 40.548 40.800 -0.002 0.000 1.037 72 D HN 0.194 nan 8.370 nan 0.000 0.477 73 D N 1.039 121.453 120.400 0.024 0.000 2.403 73 D HA 0.004 4.636 4.640 -0.015 0.000 0.227 73 D C 0.842 177.177 176.300 0.058 0.000 0.995 73 D CA 0.318 54.353 54.000 0.058 0.000 0.928 73 D CB 0.257 41.104 40.800 0.078 0.000 0.887 73 D HN 0.327 nan 8.370 nan 0.000 0.529 74 I N 0.651 121.231 120.570 0.016 0.000 2.532 74 I HA 0.122 4.283 4.170 -0.015 0.000 0.292 74 I C 0.481 176.569 176.117 -0.049 0.000 1.014 74 I CA -0.242 61.059 61.300 0.002 0.000 1.340 74 I CB 0.871 38.862 38.000 -0.014 0.000 1.422 74 I HN -0.329 nan 8.210 nan 0.000 0.528 75 Q N 3.293 123.057 119.800 -0.060 0.000 2.347 75 Q HA 0.349 4.680 4.340 -0.015 0.000 0.271 75 Q C -1.043 174.950 176.000 -0.010 0.000 1.064 75 Q CA -0.702 55.030 55.803 -0.120 0.000 0.800 75 Q CB 2.524 31.079 28.738 -0.306 0.000 1.304 75 Q HN 0.609 nan 8.270 nan 0.000 0.438 76 S N 2.376 117.991 115.700 -0.142 0.000 2.552 76 S HA 0.097 4.558 4.470 -0.015 0.000 0.289 76 S C -0.183 174.561 174.600 0.240 0.000 1.304 76 S CA 0.194 58.310 58.200 -0.139 0.000 1.063 76 S CB 0.252 62.983 63.200 -0.782 0.000 0.848 76 S HN 0.493 nan 8.310 nan 0.000 0.499 77 M N 3.688 123.506 119.600 0.364 0.000 2.367 77 M HA 0.272 4.743 4.480 -0.015 0.000 0.339 77 M C -0.361 176.304 176.300 0.609 0.000 1.177 77 M CA -0.598 55.008 55.300 0.511 0.000 1.068 77 M CB 0.604 33.177 32.600 -0.045 0.000 1.602 77 M HN 0.454 nan 8.290 nan 0.000 0.457 78 N N 4.840 123.816 118.700 0.462 0.000 2.518 78 N HA 0.448 5.179 4.740 -0.015 0.000 0.283 78 N C -2.498 172.899 175.510 -0.189 0.000 1.119 78 N CA -0.989 52.203 53.050 0.236 0.000 0.983 78 N CB 0.915 39.534 38.487 0.220 0.000 1.139 78 N HN 0.470 nan 8.380 nan 0.000 0.465 79 P HA 0.054 nan 4.420 nan 0.000 0.269 79 P C -1.972 174.974 177.300 -0.590 0.000 1.217 79 P CA -0.772 61.692 63.100 -1.059 0.000 0.783 79 P CB 0.324 31.820 31.700 -0.340 0.000 0.898 80 P HA -0.116 nan 4.420 nan 0.000 0.231 80 P C 1.319 178.509 177.300 -0.182 0.000 1.158 80 P CA 1.151 64.109 63.100 -0.237 0.000 0.763 80 P CB 0.004 31.610 31.700 -0.156 0.000 0.805 81 K N -0.105 120.117 120.400 -0.298 0.000 2.280 81 K HA -0.096 4.215 4.320 -0.015 0.000 0.202 81 K C 0.402 176.634 176.600 -0.613 0.000 1.047 81 K CA 1.029 57.032 56.287 -0.474 0.000 0.942 81 K CB -0.278 31.821 32.500 -0.669 0.000 0.739 81 K HN 0.104 nan 8.250 nan 0.000 0.457 82 F N 1.378 121.300 119.950 -0.047 0.000 2.791 82 F HA 0.298 4.817 4.527 -0.014 0.000 0.308 82 F C 0.085 175.913 175.800 0.046 0.000 1.138 82 F CA -0.721 57.279 58.000 -0.000 0.000 1.294 82 F CB 0.404 39.403 39.000 -0.002 0.000 0.975 82 F HN -0.162 nan 8.300 nan 0.000 0.512 83 E N 1.613 121.907 120.200 0.156 0.000 2.392 83 E HA 0.018 4.359 4.350 -0.015 0.000 0.264 83 E C 0.443 177.105 176.600 0.104 0.000 1.024 83 E CA 0.047 56.542 56.400 0.158 0.000 0.903 83 E CB 0.493 30.262 29.700 0.116 0.000 0.963 83 E HN 0.265 nan 8.360 nan 0.000 0.432 84 K N 1.207 121.640 120.400 0.056 0.000 3.356 84 K HA -0.252 4.059 4.320 -0.015 0.000 0.270 84 K C 0.306 176.954 176.600 0.079 0.000 0.901 84 K CA 0.001 56.307 56.287 0.032 0.000 0.688 84 K CB -1.280 31.226 32.500 0.011 0.000 1.460 84 K HN 0.315 nan 8.250 nan 0.000 0.458 85 L N 0.645 121.940 121.223 0.119 0.000 2.468 85 L HA -0.009 4.322 4.340 -0.015 0.000 0.253 85 L C 1.227 178.176 176.870 0.132 0.000 1.237 85 L CA 0.733 55.660 54.840 0.146 0.000 0.823 85 L CB 0.484 42.654 42.059 0.185 0.000 1.124 85 L HN 0.249 nan 8.230 nan 0.000 0.504 86 E N -0.128 120.162 120.200 0.150 0.000 2.630 86 E HA 0.160 4.501 4.350 -0.015 0.000 0.218 86 E C -0.814 175.933 176.600 0.245 0.000 0.977 86 E CA 0.207 56.726 56.400 0.197 0.000 1.038 86 E CB 0.651 30.463 29.700 0.187 0.000 1.051 86 E HN 0.481 nan 8.360 nan 0.000 0.487 87 D N 0.887 121.392 120.400 0.175 0.000 3.036 87 D HA 0.085 4.716 4.640 -0.015 0.000 0.244 87 D C 0.694 177.053 176.300 0.099 0.000 1.337 87 D CA -0.020 54.077 54.000 0.161 0.000 0.829 87 D CB 0.204 41.064 40.800 0.100 0.000 1.478 87 D HN 0.021 nan 8.370 nan 0.000 0.570 88 M N 0.481 120.135 119.600 0.090 0.000 2.699 88 M HA -0.149 4.322 4.480 -0.015 0.000 0.253 88 M C 1.734 178.029 176.300 -0.009 0.000 1.062 88 M CA 0.966 56.284 55.300 0.030 0.000 1.050 88 M CB -0.158 32.459 32.600 0.029 0.000 1.380 88 M HN 0.263 nan 8.290 nan 0.000 0.520 89 A N 0.261 123.092 122.820 0.018 0.000 2.123 89 A HA -0.017 4.294 4.320 -0.015 0.000 0.214 89 A C 1.903 179.462 177.584 -0.041 0.000 1.152 89 A CA 0.829 52.869 52.037 0.004 0.000 0.728 89 A CB -0.210 18.818 19.000 0.048 0.000 0.814 89 A HN 0.451 nan 8.150 nan 0.000 0.464 90 N N -0.422 118.243 118.700 -0.057 0.000 2.368 90 N HA 0.080 4.812 4.740 -0.015 0.000 0.176 90 N C 0.569 175.834 175.510 -0.409 0.000 1.021 90 N CA 0.233 53.217 53.050 -0.111 0.000 0.888 90 N CB -0.301 38.198 38.487 0.020 0.000 0.995 90 N HN 0.463 nan 8.380 nan 0.000 0.437 91 M N 0.678 119.972 119.600 -0.511 0.000 2.216 91 M HA -0.128 4.343 4.480 -0.015 0.000 0.328 91 M C 1.652 177.472 176.300 -0.799 0.000 1.062 91 M CA 0.403 55.138 55.300 -0.940 0.000 1.012 91 M CB 0.371 32.736 32.600 -0.391 0.000 1.622 91 M HN 0.020 nan 8.290 nan 0.000 0.448 92 T N 0.916 114.880 114.554 -0.984 0.000 2.746 92 T HA -0.111 4.231 4.350 -0.015 0.000 0.267 92 T C -0.235 174.185 174.700 -0.467 0.000 1.039 92 T CA 1.446 63.154 62.100 -0.654 0.000 1.142 92 T CB -0.086 68.333 68.868 -0.749 0.000 0.866 92 T HN 0.374 nan 8.240 nan 0.000 0.444 93 Y N 0.858 121.077 120.300 -0.135 0.000 2.402 93 Y HA 0.504 5.044 4.550 -0.016 0.000 0.332 93 Y C -0.064 175.784 175.900 -0.086 0.000 0.960 93 Y CA -2.212 55.847 58.100 -0.069 0.000 1.228 93 Y CB 0.742 39.200 38.460 -0.004 0.000 1.120 93 Y HN -0.044 nan 8.280 nan 0.000 0.491 94 L N 5.039 126.306 121.223 0.074 0.000 3.035 94 L HA 0.322 4.654 4.340 -0.015 0.000 0.232 94 L C -0.020 176.845 176.870 -0.007 0.000 1.341 94 L CA -0.265 54.578 54.840 0.005 0.000 1.177 94 L CB -1.386 40.662 42.059 -0.019 0.000 1.555 94 L HN 0.631 nan 8.230 nan 0.000 0.473 95 N N -1.666 117.026 118.700 -0.013 0.000 2.448 95 N HA 0.026 4.758 4.740 -0.015 0.000 0.274 95 N C 0.834 176.284 175.510 -0.101 0.000 1.239 95 N CA 0.101 53.112 53.050 -0.066 0.000 0.982 95 N CB 0.175 38.596 38.487 -0.109 0.000 1.199 95 N HN 0.298 nan 8.380 nan 0.000 0.576 96 E N -0.889 119.251 120.200 -0.100 0.000 2.153 96 E HA -0.186 4.155 4.350 -0.015 0.000 0.194 96 E C 1.329 177.875 176.600 -0.089 0.000 0.988 96 E CA 1.270 57.637 56.400 -0.055 0.000 0.811 96 E CB -0.246 29.473 29.700 0.031 0.000 0.746 96 E HN 0.650 nan 8.360 nan 0.000 0.466 97 A N 0.511 123.093 122.820 -0.396 0.000 1.861 97 A HA -0.035 4.276 4.320 -0.015 0.000 0.212 97 A C 2.337 179.473 177.584 -0.747 0.000 1.199 97 A CA 1.192 52.754 52.037 -0.793 0.000 0.613 97 A CB -0.379 17.638 19.000 -1.638 0.000 0.846 97 A HN 0.284 nan 8.150 nan 0.000 0.446 98 S N 0.134 115.468 115.700 -0.611 0.000 2.419 98 S HA -0.111 4.350 4.470 -0.015 0.000 0.233 98 S C 1.768 176.314 174.600 -0.089 0.000 1.016 98 S CA 1.412 59.417 58.200 -0.324 0.000 0.974 98 S CB -0.391 62.791 63.200 -0.030 0.000 0.786 98 S HN 0.327 nan 8.310 nan 0.000 0.492 99 V N 1.937 121.792 119.914 -0.098 0.000 2.453 99 V HA -0.081 4.030 4.120 -0.015 0.000 0.247 99 V C 2.225 178.300 176.094 -0.031 0.000 1.048 99 V CA 1.281 63.557 62.300 -0.041 0.000 1.049 99 V CB -0.803 30.987 31.823 -0.055 0.000 0.672 99 V HN 0.427 nan 8.190 nan 0.000 0.457 100 L N -0.335 120.857 121.223 -0.051 0.000 2.079 100 L HA -0.185 4.146 4.340 -0.015 0.000 0.210 100 L C 2.225 179.109 176.870 0.024 0.000 1.081 100 L CA 2.072 56.900 54.840 -0.020 0.000 0.752 100 L CB -0.890 41.173 42.059 0.008 0.000 0.896 100 L HN 0.400 nan 8.230 nan 0.000 0.433 101 Y N 0.930 121.136 120.300 -0.156 0.000 2.118 101 Y HA -0.282 4.260 4.550 -0.014 0.000 0.260 101 Y C 2.649 178.571 175.900 0.038 0.000 1.087 101 Y CA 2.180 60.252 58.100 -0.048 0.000 1.075 101 Y CB -1.032 37.407 38.460 -0.035 0.000 0.995 101 Y HN 0.352 nan 8.280 nan 0.000 0.475 102 N N 0.400 119.142 118.700 0.071 0.000 2.389 102 N HA -0.237 4.494 4.740 -0.015 0.000 0.194 102 N C 1.597 177.074 175.510 -0.055 0.000 1.008 102 N CA 1.663 54.693 53.050 -0.033 0.000 0.898 102 N CB -0.287 38.254 38.487 0.090 0.000 0.957 102 N HN 0.474 nan 8.380 nan 0.000 0.447 103 L N -0.366 120.832 121.223 -0.041 0.000 2.286 103 L HA 0.057 4.388 4.340 -0.015 0.000 0.203 103 L C 2.574 179.438 176.870 -0.009 0.000 1.068 103 L CA 0.175 54.996 54.840 -0.032 0.000 0.811 103 L CB -0.261 41.767 42.059 -0.053 0.000 0.989 103 L HN 0.002 nan 8.230 nan 0.000 0.467 104 R N -0.070 120.420 120.500 -0.017 0.000 2.092 104 R HA -0.128 4.203 4.340 -0.015 0.000 0.231 104 R C 2.276 178.580 176.300 0.008 0.000 1.119 104 R CA 1.637 57.767 56.100 0.049 0.000 0.970 104 R CB -0.032 30.302 30.300 0.057 0.000 0.864 104 R HN 0.204 nan 8.270 nan 0.000 0.440 105 S N 0.636 116.242 115.700 -0.156 0.000 2.354 105 S HA -0.164 4.297 4.470 -0.015 0.000 0.219 105 S C 1.836 176.390 174.600 -0.077 0.000 1.035 105 S CA 1.589 59.666 58.200 -0.205 0.000 1.037 105 S CB -0.323 62.624 63.200 -0.422 0.000 0.956 105 S HN 0.433 nan 8.310 nan 0.000 0.428 106 R N -0.213 120.259 120.500 -0.048 0.000 2.094 106 R HA -0.165 4.166 4.340 -0.015 0.000 0.239 106 R C 2.298 178.620 176.300 0.035 0.000 1.137 106 R CA 1.840 57.941 56.100 0.002 0.000 0.943 106 R CB -0.735 29.579 30.300 0.024 0.000 0.850 106 R HN 0.442 nan 8.270 nan 0.000 0.433 107 Y N 2.316 122.574 120.300 -0.071 0.000 2.151 107 Y HA -0.276 4.268 4.550 -0.011 0.000 0.284 107 Y C 2.349 178.221 175.900 -0.046 0.000 1.166 107 Y CA 2.088 60.147 58.100 -0.067 0.000 1.163 107 Y CB -0.650 37.766 38.460 -0.074 0.000 0.974 107 Y HN 0.130 nan 8.280 nan 0.000 0.511 108 T N -2.565 111.923 114.554 -0.109 0.000 2.962 108 T HA -0.102 4.239 4.350 -0.015 0.000 0.270 108 T C 1.664 176.272 174.700 -0.155 0.000 1.088 108 T CA 1.278 63.270 62.100 -0.180 0.000 1.127 108 T CB -0.452 68.381 68.868 -0.057 0.000 0.883 108 T HN 0.305 nan 8.240 nan 0.000 0.493 109 S N 0.500 116.138 115.700 -0.104 0.000 2.605 109 S HA 0.459 4.920 4.470 -0.015 0.000 0.217 109 S C 1.792 176.347 174.600 -0.075 0.000 0.958 109 S CA 0.049 58.207 58.200 -0.070 0.000 0.919 109 S CB -0.040 63.139 63.200 -0.035 0.000 0.780 109 S HN 0.827 nan 8.310 nan 0.000 0.507 110 G N 1.682 110.406 108.800 -0.126 0.000 2.155 110 G HA2 -0.258 3.694 3.960 -0.015 0.000 0.257 110 G HA3 -0.258 3.694 3.960 -0.015 0.000 0.257 110 G C -0.013 174.867 174.900 -0.034 0.000 0.983 110 G CA -0.005 45.032 45.100 -0.105 0.000 0.676 110 G HN 0.496 nan 8.290 nan 0.000 0.528 111 L N -0.041 121.180 121.223 -0.003 0.000 2.349 111 L HA 0.540 4.872 4.340 -0.015 0.000 0.275 111 L C 1.332 178.229 176.870 0.045 0.000 1.115 111 L CA -0.376 54.490 54.840 0.043 0.000 0.820 111 L CB 1.123 43.215 42.059 0.054 0.000 1.135 111 L HN 0.064 nan 8.230 nan 0.000 0.445 112 I N 2.789 123.391 120.570 0.053 0.000 3.658 112 I HA 0.215 4.376 4.170 -0.015 0.000 0.328 112 I C -0.925 174.959 176.117 -0.387 0.000 1.567 112 I CA -0.059 61.175 61.300 -0.109 0.000 1.078 112 I CB 0.191 38.086 38.000 -0.174 0.000 1.267 112 I HN 0.446 nan 8.210 nan 0.000 0.495 113 Y N -0.310 119.927 120.300 -0.104 0.000 2.571 113 Y HA 0.620 5.160 4.550 -0.017 0.000 0.341 113 Y C -0.131 175.693 175.900 -0.128 0.000 1.076 113 Y CA -0.770 57.231 58.100 -0.166 0.000 1.029 113 Y CB 2.468 40.781 38.460 -0.245 0.000 1.308 113 Y HN -0.175 nan 8.280 nan 0.000 0.461 114 T N 0.805 115.345 114.554 -0.023 0.000 3.047 114 T HA 0.279 4.620 4.350 -0.015 0.000 0.340 114 T C -1.871 172.829 174.700 -0.001 0.000 1.421 114 T CA -1.005 61.108 62.100 0.021 0.000 1.090 114 T CB 0.587 69.481 68.868 0.043 0.000 1.292 114 T HN 0.313 nan 8.240 nan 0.000 0.480 115 Y N 1.383 121.761 120.300 0.130 0.000 2.931 115 Y HA 0.487 5.031 4.550 -0.009 0.000 0.330 115 Y C 1.101 177.077 175.900 0.125 0.000 1.115 115 Y CA -0.949 57.240 58.100 0.148 0.000 1.283 115 Y CB 0.846 39.390 38.460 0.140 0.000 1.215 115 Y HN 0.645 nan 8.280 nan 0.000 0.534 116 S N 3.213 119.046 115.700 0.222 0.000 2.962 116 S HA 0.419 4.880 4.470 -0.015 0.000 0.320 116 S C 1.088 175.791 174.600 0.172 0.000 1.186 116 S CA 0.571 58.846 58.200 0.125 0.000 1.180 116 S CB -1.115 62.089 63.200 0.008 0.000 1.491 116 S HN 1.122 nan 8.310 nan 0.000 0.556 117 G N 4.210 113.123 108.800 0.188 0.000 2.547 117 G HA2 -0.267 3.684 3.960 -0.015 0.000 0.271 117 G HA3 -0.267 3.684 3.960 -0.015 0.000 0.271 117 G C 0.142 175.232 174.900 0.317 0.000 1.209 117 G CA 0.115 45.336 45.100 0.202 0.000 0.959 117 G HN 0.899 nan 8.290 nan 0.000 0.563 118 L N 0.900 122.343 121.223 0.367 0.000 2.869 118 L HA 0.451 4.782 4.340 -0.015 0.000 0.259 118 L C 0.431 177.573 176.870 0.453 0.000 1.162 118 L CA 0.745 55.810 54.840 0.374 0.000 0.975 118 L CB -1.024 41.205 42.059 0.283 0.000 1.217 118 L HN 0.291 nan 8.230 nan 0.000 0.418 119 F N -1.976 118.114 119.950 0.233 0.000 2.679 119 F HA 0.566 5.080 4.527 -0.022 0.000 0.341 119 F C 0.111 176.035 175.800 0.207 0.000 1.095 119 F CA -1.785 56.350 58.000 0.226 0.000 1.004 119 F CB 1.386 40.478 39.000 0.153 0.000 1.388 119 F HN -0.350 nan 8.300 nan 0.000 0.505 120 C N 3.877 123.360 119.300 0.307 0.000 3.418 120 C HA 0.591 5.042 4.460 -0.015 0.000 0.238 120 C C -0.195 174.830 174.990 0.059 0.000 1.205 120 C CA -0.790 58.274 59.018 0.076 0.000 1.376 120 C CB -1.840 25.909 27.740 0.015 0.000 1.826 120 C HN 0.542 nan 8.230 nan 0.000 0.513 121 I N 3.413 124.009 120.570 0.044 0.000 2.993 121 I HA 0.359 4.521 4.170 -0.015 0.000 0.286 121 I C 0.816 176.839 176.117 -0.156 0.000 1.215 121 I CA 0.656 61.938 61.300 -0.030 0.000 1.393 121 I CB 0.561 38.535 38.000 -0.044 0.000 1.371 121 I HN 0.725 nan 8.210 nan 0.000 0.602 122 A N 4.996 127.669 122.820 -0.245 0.000 2.667 122 A HA 0.504 4.815 4.320 -0.015 0.000 0.291 122 A C -0.808 176.539 177.584 -0.395 0.000 1.123 122 A CA -0.479 51.273 52.037 -0.475 0.000 0.832 122 A CB 0.415 19.080 19.000 -0.558 0.000 1.396 122 A HN 0.354 nan 8.150 nan 0.000 0.401 123 V N 3.485 123.173 119.914 -0.377 0.000 2.637 123 V HA 0.109 4.220 4.120 -0.015 0.000 0.296 123 V C 1.023 176.903 176.094 -0.356 0.000 1.046 123 V CA -0.533 61.522 62.300 -0.410 0.000 1.066 123 V CB 1.019 32.520 31.823 -0.538 0.000 0.968 123 V HN 0.912 nan 8.190 nan 0.000 0.483 124 N N 6.240 124.708 118.700 -0.387 0.000 2.497 124 N HA 0.107 4.838 4.740 -0.015 0.000 0.268 124 N C -2.014 173.404 175.510 -0.153 0.000 1.171 124 N CA -1.106 51.738 53.050 -0.343 0.000 0.948 124 N CB 2.004 40.158 38.487 -0.555 0.000 1.069 124 N HN 0.232 nan 8.380 nan 0.000 0.460 125 P HA -0.045 nan 4.420 nan 0.000 0.212 125 P C -0.335 177.082 177.300 0.196 0.000 1.180 125 P CA 1.346 64.512 63.100 0.109 0.000 0.902 125 P CB -0.040 31.702 31.700 0.070 0.000 0.778 126 Y N -2.506 117.827 120.300 0.056 0.000 4.134 126 Y HA -0.219 4.325 4.550 -0.010 0.000 0.234 126 Y C 0.511 176.428 175.900 0.028 0.000 1.200 126 Y CA -0.596 57.528 58.100 0.039 0.000 1.958 126 Y CB -1.015 37.477 38.460 0.054 0.000 1.605 126 Y HN 0.078 nan 8.280 nan 0.000 0.690 127 R N 0.348 120.952 120.500 0.174 0.000 2.634 127 R HA 0.370 4.701 4.340 -0.015 0.000 0.263 127 R C -1.072 175.282 176.300 0.090 0.000 1.060 127 R CA -1.011 55.148 56.100 0.098 0.000 0.898 127 R CB 1.410 31.746 30.300 0.061 0.000 1.253 127 R HN -0.045 nan 8.270 nan 0.000 0.461 128 R N 2.902 123.447 120.500 0.074 0.000 2.340 128 R HA 0.386 4.717 4.340 -0.015 0.000 0.300 128 R C -0.376 175.974 176.300 0.083 0.000 1.069 128 R CA -0.176 55.978 56.100 0.090 0.000 0.984 128 R CB 0.333 30.678 30.300 0.074 0.000 1.003 128 R HN 0.438 nan 8.270 nan 0.000 0.459 129 L N 5.215 126.511 121.223 0.122 0.000 2.334 129 L HA 0.433 4.764 4.340 -0.015 0.000 0.273 129 L C -1.427 175.450 176.870 0.013 0.000 1.013 129 L CA -1.744 53.121 54.840 0.042 0.000 0.816 129 L CB 2.250 44.301 42.059 -0.013 0.000 1.278 129 L HN 0.378 nan 8.230 nan 0.000 0.431 130 P HA 0.132 nan 4.420 nan 0.000 0.236 130 P C 0.461 177.697 177.300 -0.106 0.000 1.709 130 P CA 0.196 63.278 63.100 -0.029 0.000 0.942 130 P CB -0.190 31.506 31.700 -0.008 0.000 1.615 131 I N -4.997 115.377 120.570 -0.327 0.000 3.927 131 I HA 0.270 4.431 4.170 -0.015 0.000 0.332 131 I C -0.213 175.664 176.117 -0.400 0.000 1.485 131 I CA -0.523 60.562 61.300 -0.359 0.000 1.131 131 I CB -0.057 37.704 38.000 -0.398 0.000 1.092 131 I HN -0.259 nan 8.210 nan 0.000 0.410 132 Y N 1.002 121.385 120.300 0.138 0.000 2.500 132 Y HA 0.243 4.787 4.550 -0.011 0.000 0.246 132 Y C 1.615 177.739 175.900 0.374 0.000 1.146 132 Y CA -0.519 57.739 58.100 0.263 0.000 1.230 132 Y CB -0.315 38.218 38.460 0.121 0.000 1.214 132 Y HN 0.205 nan 8.280 nan 0.000 0.526 133 T N -1.651 113.072 114.554 0.283 0.000 2.903 133 T HA -0.040 4.301 4.350 -0.015 0.000 0.314 133 T C 1.109 175.892 174.700 0.138 0.000 1.078 133 T CA -0.146 62.060 62.100 0.177 0.000 1.114 133 T CB 0.857 69.778 68.868 0.088 0.000 0.987 133 T HN 0.249 nan 8.240 nan 0.000 0.548 134 D N 1.505 121.947 120.400 0.071 0.000 2.149 134 D HA -0.189 4.442 4.640 -0.015 0.000 0.194 134 D C 2.135 178.423 176.300 -0.019 0.000 1.001 134 D CA 1.763 55.765 54.000 0.004 0.000 0.849 134 D CB -0.475 40.319 40.800 -0.010 0.000 0.939 134 D HN 0.663 nan 8.370 nan 0.000 0.449 135 S N 0.508 116.202 115.700 -0.010 0.000 2.359 135 S HA -0.161 4.301 4.470 -0.015 0.000 0.222 135 S C 2.299 176.867 174.600 -0.052 0.000 1.038 135 S CA 1.670 59.847 58.200 -0.038 0.000 1.051 135 S CB -0.371 62.803 63.200 -0.043 0.000 0.944 135 S HN 0.102 nan 8.310 nan 0.000 0.433 136 V N 2.052 121.955 119.914 -0.018 0.000 2.407 136 V HA -0.149 3.962 4.120 -0.015 0.000 0.248 136 V C 2.343 178.498 176.094 0.102 0.000 1.055 136 V CA 1.870 64.180 62.300 0.018 0.000 1.049 136 V CB -0.788 31.087 31.823 0.087 0.000 0.662 136 V HN 0.506 nan 8.190 nan 0.000 0.455 137 I N 0.661 121.223 120.570 -0.013 0.000 2.127 137 I HA -0.271 3.890 4.170 -0.015 0.000 0.241 137 I C 2.685 178.761 176.117 -0.069 0.000 1.075 137 I CA 1.743 62.879 61.300 -0.273 0.000 1.334 137 I CB -0.536 37.271 38.000 -0.321 0.000 1.040 137 I HN 0.310 nan 8.210 nan 0.000 0.405 138 A N 0.441 123.219 122.820 -0.069 0.000 2.019 138 A HA -0.195 4.116 4.320 -0.015 0.000 0.219 138 A C 2.190 179.760 177.584 -0.025 0.000 1.164 138 A CA 1.386 53.391 52.037 -0.053 0.000 0.644 138 A CB -0.423 18.539 19.000 -0.064 0.000 0.805 138 A HN 0.365 nan 8.150 nan 0.000 0.449 139 K N -2.013 118.366 120.400 -0.036 0.000 2.365 139 K HA -0.061 4.250 4.320 -0.015 0.000 0.199 139 K C 1.077 177.623 176.600 -0.089 0.000 1.045 139 K CA 1.103 57.340 56.287 -0.084 0.000 0.962 139 K CB -0.134 32.204 32.500 -0.269 0.000 0.759 139 K HN 0.668 nan 8.250 nan 0.000 0.469 140 Y N 0.625 120.902 120.300 -0.037 0.000 2.507 140 Y HA 0.111 4.655 4.550 -0.010 0.000 0.263 140 Y C 0.915 176.829 175.900 0.022 0.000 1.093 140 Y CA -0.389 57.709 58.100 -0.003 0.000 1.285 140 Y CB 0.421 38.837 38.460 -0.073 0.000 1.115 140 Y HN -0.115 nan 8.280 nan 0.000 0.533 141 R N 0.249 120.833 120.500 0.140 0.000 2.678 141 R HA 0.043 4.374 4.340 -0.015 0.000 0.264 141 R C 1.549 177.891 176.300 0.070 0.000 0.995 141 R CA 1.272 57.430 56.100 0.096 0.000 1.098 141 R CB -0.071 30.224 30.300 -0.008 0.000 0.949 141 R HN 0.552 nan 8.270 nan 0.000 0.422 142 G N 2.308 111.153 108.800 0.075 0.000 2.279 142 G HA2 -0.398 3.553 3.960 -0.015 0.000 0.269 142 G HA3 -0.398 3.553 3.960 -0.015 0.000 0.269 142 G C -0.004 174.929 174.900 0.055 0.000 0.992 142 G CA 1.334 46.472 45.100 0.063 0.000 0.656 142 G HN 0.511 nan 8.290 nan 0.000 0.551 143 K N 0.287 120.720 120.400 0.054 0.000 2.298 143 K HA 0.551 4.862 4.320 -0.015 0.000 0.280 143 K C 0.812 177.435 176.600 0.037 0.000 1.032 143 K CA -0.534 55.770 56.287 0.029 0.000 0.958 143 K CB 0.497 32.992 32.500 -0.009 0.000 0.978 143 K HN 0.258 nan 8.250 nan 0.000 0.472 144 R N 2.015 122.523 120.500 0.014 0.000 2.570 144 R HA -0.038 4.293 4.340 -0.015 0.000 0.277 144 R C 0.761 177.056 176.300 -0.007 0.000 1.039 144 R CA 0.356 56.459 56.100 0.005 0.000 1.065 144 R CB 0.288 30.584 30.300 -0.007 0.000 0.964 144 R HN 0.453 nan 8.270 nan 0.000 0.428 145 K N 0.613 121.002 120.400 -0.019 0.000 2.374 145 K HA -0.189 4.122 4.320 -0.015 0.000 0.202 145 K C 1.092 177.607 176.600 -0.142 0.000 1.044 145 K CA 1.924 58.164 56.287 -0.077 0.000 0.933 145 K CB 0.163 32.566 32.500 -0.161 0.000 0.745 145 K HN 0.550 nan 8.250 nan 0.000 0.474 146 T N -0.539 113.958 114.554 -0.095 0.000 3.040 146 T HA 0.045 4.386 4.350 -0.015 0.000 0.252 146 T C 0.606 175.272 174.700 -0.058 0.000 1.064 146 T CA 0.459 62.508 62.100 -0.085 0.000 1.110 146 T CB 0.116 68.947 68.868 -0.063 0.000 0.921 146 T HN 0.303 nan 8.240 nan 0.000 0.480 147 E N 0.152 120.321 120.200 -0.052 0.000 2.502 147 E HA 0.227 4.568 4.350 -0.015 0.000 0.194 147 E C -0.227 176.316 176.600 -0.095 0.000 1.062 147 E CA 0.097 56.464 56.400 -0.055 0.000 0.867 147 E CB 0.463 30.140 29.700 -0.039 0.000 0.888 147 E HN 0.293 nan 8.360 nan 0.000 0.510 148 I N 0.278 120.788 120.570 -0.099 0.000 2.686 148 I HA 0.292 4.453 4.170 -0.015 0.000 0.295 148 I C -2.684 173.413 176.117 -0.034 0.000 1.114 148 I CA -3.028 58.172 61.300 -0.167 0.000 1.038 148 I CB 1.861 39.683 38.000 -0.298 0.000 1.238 148 I HN -0.260 nan 8.210 nan 0.000 0.420 149 P HA 0.239 nan 4.420 nan 0.000 0.271 149 P C -2.625 174.928 177.300 0.421 0.000 1.233 149 P CA -0.817 62.371 63.100 0.145 0.000 0.789 149 P CB -0.260 31.483 31.700 0.072 0.000 0.951 150 P HA 0.014 nan 4.420 nan 0.000 0.265 150 P C -0.605 176.830 177.300 0.224 0.000 1.187 150 P CA 1.287 64.717 63.100 0.550 0.000 0.766 150 P CB 0.173 32.063 31.700 0.317 0.000 0.820 151 H N 2.236 121.151 119.070 -0.258 0.000 3.091 151 H HA -0.017 4.531 4.556 -0.013 0.000 0.298 151 H C 0.411 175.156 175.328 -0.971 0.000 1.313 151 H CA -0.636 54.859 56.048 -0.922 0.000 1.638 151 H CB 0.230 29.491 29.762 -0.835 0.000 2.329 151 H HN 0.265 nan 8.280 nan 0.000 0.409 152 L N 5.169 125.559 121.223 -1.388 0.000 2.143 152 L HA -0.293 4.038 4.340 -0.015 0.000 0.231 152 L C 1.307 178.056 176.870 -0.203 0.000 1.106 152 L CA 2.544 57.067 54.840 -0.529 0.000 0.827 152 L CB -0.969 40.824 42.059 -0.443 0.000 0.915 152 L HN 0.519 nan 8.230 nan 0.000 0.448 153 F N 0.090 119.907 119.950 -0.222 0.000 2.021 153 F HA -0.325 4.194 4.527 -0.013 0.000 0.297 153 F C 3.017 178.487 175.800 -0.551 0.000 1.152 153 F CA 1.865 59.407 58.000 -0.763 0.000 1.201 153 F CB -1.712 36.532 39.000 -1.259 0.000 0.951 153 F HN 0.228 nan 8.300 nan 0.000 0.504 154 S N -0.330 115.356 115.700 -0.022 0.000 2.488 154 S HA -0.124 4.337 4.470 -0.015 0.000 0.246 154 S C 2.056 176.708 174.600 0.087 0.000 0.992 154 S CA 0.782 59.067 58.200 0.142 0.000 0.963 154 S CB -0.492 62.921 63.200 0.355 0.000 0.754 154 S HN 0.140 nan 8.310 nan 0.000 0.519 155 V N 1.038 120.975 119.914 0.038 0.000 2.548 155 V HA -0.053 4.058 4.120 -0.015 0.000 0.249 155 V C 2.592 178.643 176.094 -0.071 0.000 1.055 155 V CA 1.538 63.846 62.300 0.013 0.000 1.065 155 V CB -1.018 30.807 31.823 0.004 0.000 0.681 155 V HN 0.563 nan 8.190 nan 0.000 0.462 156 A N -0.200 122.600 122.820 -0.033 0.000 1.930 156 A HA -0.163 4.149 4.320 -0.015 0.000 0.215 156 A C 1.898 179.549 177.584 0.112 0.000 1.176 156 A CA 1.634 53.697 52.037 0.044 0.000 0.632 156 A CB -0.497 18.580 19.000 0.129 0.000 0.819 156 A HN 0.524 nan 8.150 nan 0.000 0.445 157 D N 0.246 120.722 120.400 0.126 0.000 2.095 157 D HA -0.166 4.466 4.640 -0.015 0.000 0.192 157 D C 1.646 178.017 176.300 0.118 0.000 0.990 157 D CA 1.600 55.716 54.000 0.193 0.000 0.836 157 D CB -0.168 40.739 40.800 0.178 0.000 0.979 157 D HN 0.402 nan 8.370 nan 0.000 0.447 158 N N 0.232 118.956 118.700 0.040 0.000 2.310 158 N HA -0.275 4.456 4.740 -0.015 0.000 0.193 158 N C 1.501 176.989 175.510 -0.036 0.000 1.001 158 N CA 1.041 54.087 53.050 -0.006 0.000 0.890 158 N CB -0.114 38.358 38.487 -0.025 0.000 0.972 158 N HN 0.193 nan 8.380 nan 0.000 0.445 159 A N 0.844 123.616 122.820 -0.080 0.000 1.835 159 A HA -0.141 4.170 4.320 -0.015 0.000 0.213 159 A C 2.103 179.743 177.584 0.092 0.000 1.210 159 A CA 0.851 52.889 52.037 0.002 0.000 0.605 159 A CB -1.132 17.879 19.000 0.019 0.000 0.860 159 A HN 0.329 nan 8.150 nan 0.000 0.447 160 Y N 0.569 120.863 120.300 -0.010 0.000 2.114 160 Y HA -0.324 4.216 4.550 -0.017 0.000 0.282 160 Y C 2.581 178.435 175.900 -0.077 0.000 1.165 160 Y CA 2.539 60.582 58.100 -0.095 0.000 1.148 160 Y CB -0.647 37.718 38.460 -0.159 0.000 0.972 160 Y HN 0.447 nan 8.280 nan 0.000 0.504 161 Q N -0.053 119.755 119.800 0.012 0.000 2.029 161 Q HA -0.287 4.044 4.340 -0.015 0.000 0.209 161 Q C 2.421 178.356 176.000 -0.109 0.000 0.999 161 Q CA 3.054 58.827 55.803 -0.051 0.000 0.857 161 Q CB -0.829 27.933 28.738 0.041 0.000 0.926 161 Q HN 0.742 nan 8.270 nan 0.000 0.415 162 N N 0.313 119.002 118.700 -0.018 0.000 2.166 162 N HA -0.184 4.547 4.740 -0.015 0.000 0.186 162 N C 1.623 177.112 175.510 -0.035 0.000 1.019 162 N CA 1.623 54.685 53.050 0.020 0.000 0.856 162 N CB -0.666 37.928 38.487 0.179 0.000 0.993 162 N HN 0.351 nan 8.380 nan 0.000 0.426 163 M N 0.404 119.959 119.600 -0.075 0.000 2.073 163 M HA -0.167 4.305 4.480 -0.015 0.000 0.258 163 M C 2.072 178.252 176.300 -0.200 0.000 1.070 163 M CA 2.039 57.269 55.300 -0.116 0.000 1.103 163 M CB -0.310 32.202 32.600 -0.146 0.000 1.321 163 M HN 0.358 nan 8.290 nan 0.000 0.405 164 V N 0.563 120.247 119.914 -0.384 0.000 2.220 164 V HA -0.294 3.817 4.120 -0.015 0.000 0.246 164 V C 2.595 178.583 176.094 -0.176 0.000 1.049 164 V CA 2.598 64.689 62.300 -0.350 0.000 1.003 164 V CB -1.794 29.739 31.823 -0.482 0.000 0.634 164 V HN 0.727 nan 8.190 nan 0.000 0.444 165 T N -3.156 111.310 114.554 -0.146 0.000 2.985 165 T HA -0.118 4.224 4.350 -0.015 0.000 0.266 165 T C 1.519 176.182 174.700 -0.061 0.000 1.076 165 T CA 1.302 63.351 62.100 -0.084 0.000 1.135 165 T CB -0.247 68.582 68.868 -0.066 0.000 0.890 165 T HN 0.428 nan 8.240 nan 0.000 0.480 166 D N 0.894 121.258 120.400 -0.060 0.000 2.350 166 D HA 0.121 4.752 4.640 -0.015 0.000 0.213 166 D C -0.012 176.265 176.300 -0.039 0.000 1.031 166 D CA -0.058 53.915 54.000 -0.046 0.000 0.861 166 D CB 0.090 40.863 40.800 -0.045 0.000 0.926 166 D HN 0.183 nan 8.370 nan 0.000 0.520 167 R N 1.552 122.024 120.500 -0.047 0.000 2.788 167 R HA -0.230 4.101 4.340 -0.015 0.000 0.258 167 R C -0.158 176.129 176.300 -0.021 0.000 0.895 167 R CA 0.873 56.953 56.100 -0.034 0.000 0.702 167 R CB -1.269 29.017 30.300 -0.023 0.000 1.661 167 R HN 0.497 nan 8.270 nan 0.000 0.520 168 E N -0.626 119.560 120.200 -0.024 0.000 2.415 168 E HA 0.376 4.718 4.350 -0.015 0.000 0.271 168 E C -1.232 175.327 176.600 -0.067 0.000 1.094 168 E CA -1.258 55.126 56.400 -0.026 0.000 0.881 168 E CB 1.011 30.710 29.700 -0.000 0.000 1.581 168 E HN 0.104 nan 8.360 nan 0.000 0.460 169 N N 0.929 119.546 118.700 -0.139 0.000 2.473 169 N HA 0.245 4.976 4.740 -0.015 0.000 0.291 169 N C -0.973 174.442 175.510 -0.158 0.000 1.083 169 N CA -0.543 52.301 53.050 -0.343 0.000 0.951 169 N CB 1.372 39.388 38.487 -0.786 0.000 1.164 169 N HN 0.366 nan 8.380 nan 0.000 0.480 170 Q N 0.506 120.244 119.800 -0.105 0.000 2.342 170 Q HA 0.464 4.795 4.340 -0.015 0.000 0.267 170 Q C -0.598 175.424 176.000 0.037 0.000 1.038 170 Q CA -0.695 55.110 55.803 0.003 0.000 0.832 170 Q CB 2.102 30.916 28.738 0.128 0.000 1.323 170 Q HN 0.705 nan 8.270 nan 0.000 0.448 171 S N -0.459 115.218 115.700 -0.039 0.000 2.557 171 S HA 0.565 5.027 4.470 -0.015 0.000 0.291 171 S C -0.610 173.948 174.600 -0.070 0.000 1.116 171 S CA -0.710 57.495 58.200 0.008 0.000 0.992 171 S CB 0.778 64.018 63.200 0.068 0.000 1.028 171 S HN 0.582 nan 8.310 nan 0.000 0.484 172 C N 4.857 124.151 119.300 -0.009 0.000 2.242 172 C HA 0.462 4.913 4.460 -0.015 0.000 0.317 172 C C 0.236 175.206 174.990 -0.033 0.000 1.087 172 C CA -1.041 57.963 59.018 -0.023 0.000 1.535 172 C CB -1.504 26.252 27.740 0.027 0.000 1.893 172 C HN 0.860 nan 8.230 nan 0.000 0.426 173 L N 1.566 122.743 121.223 -0.076 0.000 2.283 173 L HA 0.588 4.919 4.340 -0.015 0.000 0.287 173 L C -0.534 176.381 176.870 0.074 0.000 1.073 173 L CA -0.227 54.633 54.840 0.033 0.000 0.822 173 L CB -0.248 41.877 42.059 0.111 0.000 1.186 173 L HN 0.299 nan 8.230 nan 0.000 0.436 174 I N 3.507 124.110 120.570 0.055 0.000 2.312 174 I HA 0.348 4.509 4.170 -0.015 0.000 0.291 174 I C 0.643 176.786 176.117 0.044 0.000 1.031 174 I CA 0.395 61.724 61.300 0.047 0.000 1.293 174 I CB 1.384 39.392 38.000 0.014 0.000 1.403 174 I HN 0.724 nan 8.210 nan 0.000 0.484 175 T N 2.196 116.780 114.554 0.050 0.000 2.881 175 T HA 0.919 5.261 4.350 -0.015 0.000 0.290 175 T C -0.184 174.511 174.700 -0.008 0.000 1.000 175 T CA -0.710 61.405 62.100 0.025 0.000 0.978 175 T CB 1.724 70.615 68.868 0.038 0.000 0.997 175 T HN 0.761 nan 8.240 nan 0.000 0.443 176 G N 1.587 110.370 108.800 -0.027 0.000 2.846 176 G HA2 0.624 4.575 3.960 -0.015 0.000 0.299 176 G HA3 0.624 4.575 3.960 -0.015 0.000 0.299 176 G C -0.880 173.989 174.900 -0.052 0.000 1.242 176 G CA -0.800 44.267 45.100 -0.054 0.000 0.800 176 G HN 0.734 nan 8.290 nan 0.000 0.538 177 E N -0.674 119.486 120.200 -0.068 0.000 4.367 177 E HA 0.434 4.776 4.350 -0.015 0.000 0.345 177 E C -0.159 176.412 176.600 -0.048 0.000 1.312 177 E CA -0.309 56.056 56.400 -0.057 0.000 2.005 177 E CB 0.752 30.415 29.700 -0.062 0.000 1.642 177 E HN 0.283 nan 8.360 nan 0.000 0.783 178 S N -0.985 114.690 115.700 -0.041 0.000 2.422 178 S HA 0.458 4.919 4.470 -0.015 0.000 0.308 178 S C 0.272 174.867 174.600 -0.008 0.000 1.097 178 S CA 0.345 58.531 58.200 -0.025 0.000 1.099 178 S CB 0.426 63.614 63.200 -0.019 0.000 0.976 178 S HN 0.734 nan 8.310 nan 0.000 0.471 179 G N 3.257 112.054 108.800 -0.005 0.000 2.159 179 G HA2 -0.187 3.764 3.960 -0.015 0.000 0.227 179 G HA3 -0.187 3.764 3.960 -0.015 0.000 0.227 179 G C 0.794 175.670 174.900 -0.039 0.000 0.986 179 G CA 0.165 45.285 45.100 0.033 0.000 0.651 179 G HN 1.221 nan 8.290 nan 0.000 0.523 180 A N -0.357 122.410 122.820 -0.089 0.000 1.823 180 A HA 0.587 4.898 4.320 -0.015 0.000 0.214 180 A C 2.306 179.775 177.584 -0.191 0.000 1.225 180 A CA 2.599 54.536 52.037 -0.166 0.000 0.604 180 A CB -0.360 18.558 19.000 -0.135 0.000 0.878 180 A HN 1.993 nan 8.150 nan 0.000 0.450 181 G N -2.396 106.323 108.800 -0.134 0.000 4.469 181 G HA2 0.086 4.037 3.960 -0.015 0.000 0.183 181 G HA3 0.086 4.037 3.960 -0.015 0.000 0.183 181 G C 0.956 175.802 174.900 -0.090 0.000 0.797 181 G CA 0.631 45.654 45.100 -0.127 0.000 0.770 181 G HN 0.299 nan 8.290 nan 0.000 0.484 182 K N 0.630 120.986 120.400 -0.074 0.000 1.977 182 K HA -0.143 4.168 4.320 -0.015 0.000 0.231 182 K C 1.627 178.195 176.600 -0.054 0.000 1.040 182 K CA 2.054 58.308 56.287 -0.054 0.000 1.029 182 K CB -0.588 31.885 32.500 -0.045 0.000 0.737 182 K HN 0.150 nan 8.250 nan 0.000 0.446 183 T N 1.845 116.366 114.554 -0.056 0.000 3.816 183 T HA -0.035 4.306 4.350 -0.015 0.000 0.256 183 T C 0.688 175.359 174.700 -0.048 0.000 1.117 183 T CA 0.553 62.618 62.100 -0.057 0.000 0.973 183 T CB -0.147 68.683 68.868 -0.063 0.000 1.070 183 T HN 0.232 nan 8.240 nan 0.000 0.604 184 E N 1.015 121.178 120.200 -0.061 0.000 3.596 184 E HA 0.137 4.479 4.350 -0.015 0.000 0.188 184 E C 1.609 178.144 176.600 -0.108 0.000 1.232 184 E CA 0.092 56.443 56.400 -0.082 0.000 1.460 184 E CB -0.283 29.365 29.700 -0.086 0.000 1.513 184 E HN 0.360 nan 8.360 nan 0.000 0.530 185 N N 1.024 119.666 118.700 -0.097 0.000 2.635 185 N HA -0.069 4.662 4.740 -0.015 0.000 0.191 185 N C 1.097 176.579 175.510 -0.047 0.000 1.155 185 N CA 0.960 53.962 53.050 -0.079 0.000 0.927 185 N CB 0.180 38.651 38.487 -0.027 0.000 0.976 185 N HN 0.091 nan 8.380 nan 0.000 0.448 186 T N 1.132 115.658 114.554 -0.046 0.000 2.937 186 T HA 0.008 4.350 4.350 -0.015 0.000 0.260 186 T C 1.863 176.548 174.700 -0.025 0.000 1.051 186 T CA 0.651 62.733 62.100 -0.030 0.000 1.141 186 T CB 0.141 68.987 68.868 -0.036 0.000 0.879 186 T HN 0.228 nan 8.240 nan 0.000 0.459 187 K N 1.187 121.562 120.400 -0.041 0.000 2.057 187 K HA -0.016 4.295 4.320 -0.015 0.000 0.206 187 K C 2.384 178.975 176.600 -0.015 0.000 1.050 187 K CA 0.826 57.093 56.287 -0.033 0.000 0.935 187 K CB -0.029 32.443 32.500 -0.047 0.000 0.715 187 K HN 0.182 nan 8.250 nan 0.000 0.439 188 K N 0.795 121.163 120.400 -0.054 0.000 2.103 188 K HA -0.113 4.198 4.320 -0.015 0.000 0.207 188 K C 2.102 178.798 176.600 0.159 0.000 1.048 188 K CA 1.128 57.412 56.287 -0.005 0.000 0.930 188 K CB -0.481 31.913 32.500 -0.178 0.000 0.716 188 K HN 0.019 nan 8.250 nan 0.000 0.444 189 V N 1.833 121.810 119.914 0.105 0.000 2.759 189 V HA -0.175 3.937 4.120 -0.015 0.000 0.256 189 V C 2.262 178.456 176.094 0.167 0.000 1.080 189 V CA 1.071 63.466 62.300 0.159 0.000 1.101 189 V CB -0.404 31.470 31.823 0.085 0.000 0.698 189 V HN 0.170 nan 8.190 nan 0.000 0.477 190 I N -0.602 120.026 120.570 0.096 0.000 2.296 190 I HA -0.093 4.068 4.170 -0.015 0.000 0.242 190 I C 2.373 178.537 176.117 0.079 0.000 1.087 190 I CA 1.346 62.683 61.300 0.062 0.000 1.393 190 I CB -1.003 37.000 38.000 0.006 0.000 1.093 190 I HN 0.314 nan 8.210 nan 0.000 0.421 191 M N 0.336 119.987 119.600 0.084 0.000 2.195 191 M HA -0.292 4.179 4.480 -0.015 0.000 0.260 191 M C 2.386 178.755 176.300 0.115 0.000 1.066 191 M CA 2.043 57.392 55.300 0.083 0.000 1.089 191 M CB -0.725 31.925 32.600 0.084 0.000 1.377 191 M HN 0.255 nan 8.290 nan 0.000 0.411 192 Y N 0.729 121.081 120.300 0.085 0.000 2.134 192 Y HA -0.172 4.370 4.550 -0.015 0.000 0.283 192 Y C 2.050 177.918 175.900 -0.053 0.000 1.108 192 Y CA 1.625 59.736 58.100 0.019 0.000 1.096 192 Y CB -0.918 37.628 38.460 0.143 0.000 1.005 192 Y HN 0.154 nan 8.280 nan 0.000 0.487 193 L N 0.751 122.011 121.223 0.061 0.000 2.468 193 L HA -0.211 4.120 4.340 -0.015 0.000 0.225 193 L C 1.976 178.783 176.870 -0.105 0.000 1.139 193 L CA 1.948 56.765 54.840 -0.039 0.000 0.792 193 L CB -0.896 41.283 42.059 0.200 0.000 0.916 193 L HN 0.482 nan 8.230 nan 0.000 0.446 194 A N -2.709 120.048 122.820 -0.104 0.000 2.303 194 A HA 0.074 4.386 4.320 -0.015 0.000 0.217 194 A C 2.127 179.624 177.584 -0.146 0.000 1.205 194 A CA -0.030 51.959 52.037 -0.080 0.000 0.875 194 A CB -0.098 18.880 19.000 -0.037 0.000 0.910 194 A HN 0.228 nan 8.150 nan 0.000 0.501 195 K N -0.010 120.240 120.400 -0.251 0.000 2.361 195 K HA 0.026 4.337 4.320 -0.015 0.000 0.196 195 K C 1.570 177.981 176.600 -0.314 0.000 1.039 195 K CA 1.390 57.527 56.287 -0.250 0.000 1.001 195 K CB 0.381 32.709 32.500 -0.287 0.000 0.795 195 K HN 0.496 nan 8.250 nan 0.000 0.495 196 V N -3.792 115.863 119.914 -0.431 0.000 3.523 196 V HA 0.341 4.453 4.120 -0.015 0.000 0.255 196 V C 1.151 177.025 176.094 -0.366 0.000 1.226 196 V CA 0.658 62.687 62.300 -0.452 0.000 1.092 196 V CB 0.714 32.133 31.823 -0.672 0.000 0.817 196 V HN 0.031 nan 8.190 nan 0.000 0.458 197 A N -0.292 122.347 122.820 -0.302 0.000 2.606 197 A HA 0.428 4.739 4.320 -0.015 0.000 0.290 197 A C 0.908 178.471 177.584 -0.036 0.000 1.174 197 A CA 0.317 52.230 52.037 -0.206 0.000 0.958 197 A CB -0.915 17.959 19.000 -0.210 0.000 1.194 197 A HN 0.672 nan 8.150 nan 0.000 0.526 198 C N -0.850 118.410 119.300 -0.067 0.000 2.893 198 C HA 0.270 4.721 4.460 -0.015 0.000 0.388 198 C C 1.956 176.949 174.990 0.005 0.000 1.244 198 C CA 0.891 59.892 59.018 -0.028 0.000 1.923 198 C CB 0.410 28.122 27.740 -0.047 0.000 2.654 198 C HN 0.820 nan 8.230 nan 0.000 0.717 199 A N 1.948 124.774 122.820 0.011 0.000 1.999 199 A HA 0.606 4.918 4.320 -0.015 0.000 0.200 199 A C 0.514 178.104 177.584 0.009 0.000 1.363 199 A CA 1.033 53.084 52.037 0.023 0.000 0.844 199 A CB 0.061 19.079 19.000 0.029 0.000 0.954 199 A HN 1.103 nan 8.150 nan 0.000 0.481 212 E N 0.991 121.223 120.200 0.053 0.000 2.652 212 E HA 0.040 4.381 4.350 -0.015 0.000 0.255 212 E C 0.019 176.638 176.600 0.031 0.000 0.952 212 E CA 0.502 56.931 56.400 0.047 0.000 0.947 212 E CB 0.364 30.088 29.700 0.039 0.000 0.912 212 E HN 0.511 nan 8.360 nan 0.000 0.489 213 G N 2.288 111.105 108.800 0.028 0.000 2.606 213 G HA2 0.293 4.244 3.960 -0.015 0.000 0.262 213 G HA3 0.293 4.244 3.960 -0.015 0.000 0.262 213 G C -0.628 174.276 174.900 0.008 0.000 1.394 213 G CA -0.251 44.859 45.100 0.015 0.000 1.044 213 G HN 0.611 nan 8.290 nan 0.000 0.553 214 S N -0.603 115.098 115.700 0.001 0.000 2.565 214 S HA 0.178 4.639 4.470 -0.015 0.000 0.274 214 S C 1.393 175.988 174.600 -0.008 0.000 1.309 214 S CA -0.464 57.734 58.200 -0.003 0.000 1.043 214 S CB 1.542 64.738 63.200 -0.006 0.000 0.939 214 S HN 0.827 nan 8.310 nan 0.000 0.504 215 L N 1.294 122.511 121.223 -0.010 0.000 2.051 215 L HA -0.128 4.204 4.340 -0.015 0.000 0.214 215 L C 2.012 178.868 176.870 -0.023 0.000 1.076 215 L CA 2.088 56.918 54.840 -0.017 0.000 0.758 215 L CB -1.391 40.658 42.059 -0.017 0.000 0.890 215 L HN 0.787 nan 8.230 nan 0.000 0.433 216 E N 0.275 120.462 120.200 -0.021 0.000 2.005 216 E HA -0.218 4.124 4.350 -0.015 0.000 0.198 216 E C 2.076 178.661 176.600 -0.025 0.000 1.010 216 E CA 1.577 57.961 56.400 -0.025 0.000 0.825 216 E CB -0.745 28.941 29.700 -0.024 0.000 0.769 216 E HN 0.518 nan 8.360 nan 0.000 0.456 217 D N 0.296 120.684 120.400 -0.019 0.000 2.191 217 D HA -0.237 4.395 4.640 -0.015 0.000 0.190 217 D C 1.983 178.269 176.300 -0.024 0.000 1.007 217 D CA 1.527 55.517 54.000 -0.018 0.000 0.865 217 D CB -0.146 40.647 40.800 -0.011 0.000 0.929 217 D HN 0.314 nan 8.370 nan 0.000 0.447 218 Q N 0.119 119.905 119.800 -0.023 0.000 1.967 218 Q HA -0.131 4.200 4.340 -0.015 0.000 0.202 218 Q C 2.638 178.613 176.000 -0.042 0.000 0.985 218 Q CA 0.852 56.638 55.803 -0.028 0.000 0.839 218 Q CB -0.140 28.587 28.738 -0.018 0.000 0.906 218 Q HN 0.354 nan 8.270 nan 0.000 0.423 219 I N 0.386 120.930 120.570 -0.043 0.000 2.093 219 I HA -0.398 3.764 4.170 -0.015 0.000 0.239 219 I C 2.328 178.417 176.117 -0.048 0.000 1.026 219 I CA 1.455 62.724 61.300 -0.052 0.000 1.295 219 I CB -0.422 37.545 38.000 -0.055 0.000 1.007 219 I HN 0.219 nan 8.210 nan 0.000 0.401 220 I N 0.249 120.796 120.570 -0.038 0.000 2.091 220 I HA -0.352 3.809 4.170 -0.015 0.000 0.239 220 I C 2.583 178.675 176.117 -0.041 0.000 1.061 220 I CA 1.704 62.985 61.300 -0.032 0.000 1.317 220 I CB -0.447 37.540 38.000 -0.021 0.000 1.031 220 I HN 0.245 nan 8.210 nan 0.000 0.401 221 Q N 0.529 120.301 119.800 -0.048 0.000 2.308 221 Q HA -0.078 4.253 4.340 -0.015 0.000 0.209 221 Q C 1.583 177.521 176.000 -0.104 0.000 0.985 221 Q CA 1.340 57.102 55.803 -0.068 0.000 0.881 221 Q CB -0.411 28.286 28.738 -0.068 0.000 0.917 221 Q HN 0.555 nan 8.270 nan 0.000 0.443 222 A N -0.146 122.618 122.820 -0.095 0.000 2.223 222 A HA -0.019 4.292 4.320 -0.015 0.000 0.222 222 A C 0.943 178.479 177.584 -0.081 0.000 1.317 222 A CA 0.380 52.347 52.037 -0.117 0.000 0.985 222 A CB -0.358 18.585 19.000 -0.096 0.000 0.858 222 A HN 0.319 nan 8.150 nan 0.000 0.496 223 N N -0.378 118.286 118.700 -0.061 0.000 2.646 223 N HA 0.028 4.760 4.740 -0.015 0.000 0.214 223 N C -1.300 174.212 175.510 0.004 0.000 1.042 223 N CA 0.520 53.569 53.050 -0.001 0.000 0.925 223 N CB -0.815 37.676 38.487 0.006 0.000 1.383 223 N HN 0.138 nan 8.380 nan 0.000 0.439 224 P HA -0.116 nan 4.420 nan 0.000 0.220 224 P C 1.746 179.013 177.300 -0.054 0.000 1.144 224 P CA 0.960 64.041 63.100 -0.032 0.000 0.800 224 P CB 0.094 31.758 31.700 -0.060 0.000 0.772 225 V N -3.615 116.208 119.914 -0.152 0.000 2.278 225 V HA -0.153 3.958 4.120 -0.015 0.000 0.238 225 V C 2.204 178.347 176.094 0.082 0.000 1.039 225 V CA 1.189 63.382 62.300 -0.179 0.000 1.017 225 V CB -1.852 29.683 31.823 -0.480 0.000 0.657 225 V HN -0.050 nan 8.190 nan 0.000 0.462 226 L N 0.020 121.264 121.223 0.035 0.000 2.089 226 L HA -0.235 4.097 4.340 -0.015 0.000 0.213 226 L C 2.914 180.010 176.870 0.378 0.000 1.079 226 L CA 2.558 57.489 54.840 0.152 0.000 0.758 226 L CB -0.780 41.376 42.059 0.161 0.000 0.891 226 L HN 0.534 nan 8.230 nan 0.000 0.433 227 E N -0.208 120.185 120.200 0.322 0.000 2.152 227 E HA -0.140 4.202 4.350 -0.015 0.000 0.192 227 E C 2.267 179.059 176.600 0.321 0.000 0.983 227 E CA 0.822 57.435 56.400 0.356 0.000 0.818 227 E CB 0.075 29.916 29.700 0.235 0.000 0.758 227 E HN 0.470 nan 8.360 nan 0.000 0.467 228 A N 0.026 122.983 122.820 0.229 0.000 1.933 228 A HA -0.177 4.134 4.320 -0.015 0.000 0.218 228 A C 1.569 179.179 177.584 0.043 0.000 1.175 228 A CA 1.262 53.374 52.037 0.125 0.000 0.628 228 A CB -0.482 18.521 19.000 0.006 0.000 0.814 228 A HN 0.310 nan 8.150 nan 0.000 0.444 229 Y N -1.152 119.215 120.300 0.111 0.000 2.479 229 Y HA 0.229 4.768 4.550 -0.018 0.000 0.283 229 Y C 2.493 178.304 175.900 -0.149 0.000 1.109 229 Y CA 0.610 58.737 58.100 0.045 0.000 1.239 229 Y CB -0.093 38.334 38.460 -0.056 0.000 1.108 229 Y HN 0.324 nan 8.280 nan 0.000 0.548 230 G N -0.665 108.174 108.800 0.065 0.000 3.088 230 G HA2 0.073 4.024 3.960 -0.015 0.000 0.217 230 G HA3 0.073 4.024 3.960 -0.015 0.000 0.217 230 G C 0.029 175.182 174.900 0.420 0.000 1.159 230 G CA -0.245 44.764 45.100 -0.152 0.000 0.760 230 G HN 0.220 nan 8.290 nan 0.000 0.550 231 N N -0.168 118.765 118.700 0.388 0.000 2.319 231 N HA 0.678 5.409 4.740 -0.015 0.000 0.305 231 N C -0.813 174.513 175.510 -0.307 0.000 1.103 231 N CA -0.389 52.760 53.050 0.165 0.000 0.815 231 N CB 2.237 40.842 38.487 0.197 0.000 1.288 231 N HN 0.157 nan 8.380 nan 0.000 0.493 232 A N 0.867 123.417 122.820 -0.450 0.000 2.581 232 A HA 0.361 4.672 4.320 -0.015 0.000 0.290 232 A C -1.360 176.015 177.584 -0.349 0.000 1.119 232 A CA -0.718 50.923 52.037 -0.660 0.000 0.670 232 A CB 1.354 20.001 19.000 -0.587 0.000 1.280 232 A HN 0.572 nan 8.150 nan 0.000 0.425 233 K N 0.741 120.984 120.400 -0.263 0.000 2.322 233 K HA 0.516 4.827 4.320 -0.015 0.000 0.283 233 K C -0.988 175.533 176.600 -0.131 0.000 1.042 233 K CA 0.382 56.594 56.287 -0.125 0.000 0.958 233 K CB 0.475 32.909 32.500 -0.110 0.000 0.984 233 K HN 0.645 nan 8.250 nan 0.000 0.473 234 T N 2.247 116.756 114.554 -0.074 0.000 2.876 234 T HA 0.098 4.439 4.350 -0.015 0.000 0.289 234 T C 1.225 175.905 174.700 -0.033 0.000 1.014 234 T CA -0.605 61.462 62.100 -0.055 0.000 0.986 234 T CB 1.741 70.592 68.868 -0.028 0.000 1.021 234 T HN 0.766 nan 8.240 nan 0.000 0.458 235 T N 1.126 115.663 114.554 -0.028 0.000 2.649 235 T HA -0.240 4.101 4.350 -0.015 0.000 0.268 235 T C 1.996 176.691 174.700 -0.009 0.000 1.036 235 T CA 0.893 62.981 62.100 -0.020 0.000 1.157 235 T CB -0.181 68.680 68.868 -0.011 0.000 0.861 235 T HN 0.301 nan 8.240 nan 0.000 0.445 236 R N 2.751 123.253 120.500 0.003 0.000 2.127 236 R HA 0.087 4.419 4.340 -0.015 0.000 0.238 236 R C 0.513 176.833 176.300 0.033 0.000 1.134 236 R CA 1.150 57.261 56.100 0.019 0.000 0.975 236 R CB -0.958 29.352 30.300 0.017 0.000 0.865 236 R HN 0.649 nan 8.270 nan 0.000 0.447 237 N N -0.420 118.292 118.700 0.020 0.000 2.493 237 N HA 0.068 4.799 4.740 -0.015 0.000 0.279 237 N C -0.208 175.316 175.510 0.023 0.000 1.082 237 N CA -0.391 52.681 53.050 0.036 0.000 0.963 237 N CB 0.589 39.110 38.487 0.056 0.000 1.627 237 N HN -0.269 nan 8.380 nan 0.000 0.499 238 N N 2.307 121.022 118.700 0.025 0.000 2.094 238 N HA -0.175 4.556 4.740 -0.015 0.000 0.191 238 N C 0.067 175.650 175.510 0.122 0.000 1.023 238 N CA 1.250 54.324 53.050 0.039 0.000 0.857 238 N CB -0.255 38.243 38.487 0.019 0.000 1.013 238 N HN 0.768 nan 8.380 nan 0.000 0.426 239 N N 0.471 119.251 118.700 0.134 0.000 2.990 239 N HA 0.092 4.824 4.740 -0.015 0.000 0.288 239 N C -1.156 174.422 175.510 0.113 0.000 1.624 239 N CA -0.078 53.110 53.050 0.230 0.000 0.961 239 N CB 0.297 38.911 38.487 0.211 0.000 1.259 239 N HN -0.094 nan 8.380 nan 0.000 0.489 240 S N 0.453 116.180 115.700 0.044 0.000 2.548 240 S HA 0.187 4.648 4.470 -0.015 0.000 0.277 240 S C -0.008 174.609 174.600 0.028 0.000 1.315 240 S CA -0.321 57.891 58.200 0.019 0.000 1.050 240 S CB 0.772 63.968 63.200 -0.006 0.000 0.918 240 S HN 0.382 nan 8.310 nan 0.000 0.497 241 S N 4.959 120.663 115.700 0.008 0.000 2.400 241 S HA 0.249 4.710 4.470 -0.015 0.000 0.295 241 S C 0.978 175.596 174.600 0.030 0.000 1.113 241 S CA -0.729 57.460 58.200 -0.019 0.000 1.064 241 S CB 0.550 63.639 63.200 -0.184 0.000 0.990 241 S HN 0.533 nan 8.310 nan 0.000 0.502 242 R N 1.679 122.304 120.500 0.207 0.000 2.339 242 R HA 0.104 4.436 4.340 -0.015 0.000 0.199 242 R C 0.086 176.564 176.300 0.296 0.000 1.018 242 R CA 0.304 56.552 56.100 0.247 0.000 1.036 242 R CB -0.764 29.765 30.300 0.382 0.000 0.899 242 R HN 0.658 nan 8.270 nan 0.000 0.473 243 F N -3.452 116.529 119.950 0.051 0.000 2.650 243 F HA 0.763 5.313 4.527 0.039 0.000 0.320 243 F C 0.440 176.331 175.800 0.153 0.000 1.091 243 F CA -2.223 55.824 58.000 0.078 0.000 0.962 243 F CB 0.243 39.272 39.000 0.049 0.000 1.363 243 F HN -0.141 nan 8.300 nan 0.000 0.482 244 G N 0.499 109.466 108.800 0.280 0.000 2.562 244 G HA2 0.516 4.467 3.960 -0.015 0.000 0.275 244 G HA3 0.516 4.467 3.960 -0.015 0.000 0.275 244 G C -1.568 173.549 174.900 0.362 0.000 1.196 244 G CA -0.736 44.514 45.100 0.251 0.000 0.908 244 G HN 0.938 nan 8.290 nan 0.000 0.524 245 K N -0.909 119.692 120.400 0.335 0.000 2.562 245 K HA 0.491 4.803 4.320 -0.015 0.000 0.267 245 K C -2.405 174.446 176.600 0.418 0.000 0.938 245 K CA -0.832 55.660 56.287 0.341 0.000 0.840 245 K CB 2.113 34.682 32.500 0.114 0.000 1.390 245 K HN 0.408 nan 8.250 nan 0.000 0.428 246 F N 5.361 125.444 119.950 0.221 0.000 3.228 246 F HA 0.385 4.893 4.527 -0.033 0.000 0.385 246 F C -1.708 174.124 175.800 0.052 0.000 1.247 246 F CA -0.590 57.506 58.000 0.160 0.000 1.211 246 F CB 0.608 39.777 39.000 0.282 0.000 1.719 246 F HN 0.465 nan 8.300 nan 0.000 0.630 247 I N 6.036 126.415 120.570 -0.319 0.000 2.365 247 I HA 0.483 4.644 4.170 -0.015 0.000 0.291 247 I C -0.440 175.365 176.117 -0.521 0.000 1.004 247 I CA -0.332 60.791 61.300 -0.295 0.000 1.311 247 I CB 0.498 38.395 38.000 -0.173 0.000 1.401 247 I HN 0.580 nan 8.210 nan 0.000 0.491 248 R N 7.356 127.595 120.500 -0.435 0.000 2.758 248 R HA 0.703 5.034 4.340 -0.015 0.000 0.265 248 R C -1.100 174.906 176.300 -0.489 0.000 1.016 248 R CA -0.919 54.872 56.100 -0.516 0.000 1.040 248 R CB 1.906 31.827 30.300 -0.632 0.000 1.152 248 R HN 0.580 nan 8.270 nan 0.000 0.503 249 I N 2.774 123.048 120.570 -0.494 0.000 2.563 249 I HA 0.214 4.375 4.170 -0.015 0.000 0.281 249 I C -0.467 175.244 176.117 -0.677 0.000 1.110 249 I CA -0.675 60.300 61.300 -0.542 0.000 1.073 249 I CB 1.331 39.110 38.000 -0.368 0.000 1.215 249 I HN 0.456 nan 8.210 nan 0.000 0.460 250 H N 5.545 124.401 119.070 -0.356 0.000 2.505 250 H HA 0.496 5.045 4.556 -0.011 0.000 0.351 250 H C -1.064 173.965 175.328 -0.499 0.000 1.151 250 H CA -0.000 55.913 56.048 -0.224 0.000 1.339 250 H CB 1.426 31.154 29.762 -0.056 0.000 1.483 250 H HN 0.293 nan 8.280 nan 0.000 0.558 251 F N -0.596 119.502 119.950 0.246 0.000 2.551 251 F HA 0.377 4.894 4.527 -0.017 0.000 0.316 251 F C 1.064 176.944 175.800 0.134 0.000 1.089 251 F CA -0.856 57.252 58.000 0.179 0.000 0.915 251 F CB 1.652 40.776 39.000 0.207 0.000 1.186 251 F HN 0.591 nan 8.300 nan 0.000 0.456 252 G N 1.526 110.503 108.800 0.295 0.000 2.684 252 G HA2 0.274 4.225 3.960 -0.015 0.000 0.255 252 G HA3 0.274 4.225 3.960 -0.015 0.000 0.255 252 G C -2.145 172.846 174.900 0.151 0.000 1.219 252 G CA -1.253 43.952 45.100 0.175 0.000 0.901 252 G HN 0.454 nan 8.290 nan 0.000 0.548 253 P HA 0.021 nan 4.420 nan 0.000 0.240 253 P C 0.987 178.324 177.300 0.061 0.000 1.186 253 P CA 1.431 64.572 63.100 0.069 0.000 0.755 253 P CB 0.153 31.882 31.700 0.049 0.000 0.870 254 T N -6.480 108.124 114.554 0.083 0.000 3.337 254 T HA 0.411 4.752 4.350 -0.015 0.000 0.299 254 T C 1.083 175.845 174.700 0.103 0.000 0.998 254 T CA 0.018 62.161 62.100 0.072 0.000 0.948 254 T CB -0.534 68.372 68.868 0.063 0.000 1.170 254 T HN 0.133 nan 8.240 nan 0.000 0.508 255 G N 2.204 111.081 108.800 0.128 0.000 2.323 255 G HA2 -0.219 3.732 3.960 -0.015 0.000 0.292 255 G HA3 -0.219 3.732 3.960 -0.015 0.000 0.292 255 G C -0.162 174.905 174.900 0.278 0.000 1.040 255 G CA 0.051 45.257 45.100 0.177 0.000 0.942 255 G HN 0.617 nan 8.290 nan 0.000 0.506 256 K N -0.579 120.021 120.400 0.333 0.000 2.295 256 K HA 0.534 4.845 4.320 -0.015 0.000 0.239 256 K C 0.792 177.714 176.600 0.536 0.000 0.991 256 K CA -1.342 55.148 56.287 0.339 0.000 0.845 256 K CB 1.513 34.116 32.500 0.172 0.000 1.197 256 K HN 0.162 nan 8.250 nan 0.000 0.441 257 I N 2.360 123.156 120.570 0.377 0.000 2.578 257 I HA -0.113 4.048 4.170 -0.015 0.000 0.286 257 I C 1.237 177.370 176.117 0.027 0.000 1.126 257 I CA 0.275 61.617 61.300 0.071 0.000 1.380 257 I CB 0.625 38.622 38.000 -0.005 0.000 1.408 257 I HN 0.688 nan 8.210 nan 0.000 0.532 258 A N 5.370 128.187 122.820 -0.005 0.000 2.044 258 A HA 0.529 4.840 4.320 -0.015 0.000 0.213 258 A C 1.015 178.603 177.584 0.008 0.000 1.169 258 A CA 0.802 52.858 52.037 0.031 0.000 0.724 258 A CB 0.120 19.160 19.000 0.067 0.000 0.840 258 A HN 0.835 nan 8.150 nan 0.000 0.463 259 G N -2.883 105.910 108.800 -0.012 0.000 2.328 259 G HA2 0.615 4.566 3.960 -0.015 0.000 0.299 259 G HA3 0.615 4.566 3.960 -0.015 0.000 0.299 259 G C -1.139 173.777 174.900 0.026 0.000 1.435 259 G CA -0.004 45.108 45.100 0.020 0.000 0.865 259 G HN 1.248 nan 8.290 nan 0.000 0.601 260 A N -0.286 122.528 122.820 -0.010 0.000 2.515 260 A HA 0.949 5.260 4.320 -0.015 0.000 0.296 260 A C -1.480 176.078 177.584 -0.043 0.000 1.094 260 A CA 0.080 52.050 52.037 -0.111 0.000 0.718 260 A CB 2.139 21.045 19.000 -0.158 0.000 1.307 260 A HN 1.778 nan 8.150 nan 0.000 0.408 261 D N -0.117 120.236 120.400 -0.078 0.000 2.970 261 D HA 0.553 5.184 4.640 -0.015 0.000 0.230 261 D C -0.817 175.450 176.300 -0.055 0.000 1.276 261 D CA -0.254 53.723 54.000 -0.038 0.000 0.910 261 D CB 0.583 41.401 40.800 0.029 0.000 1.590 261 D HN 0.457 nan 8.370 nan 0.000 0.551 262 I N 0.450 120.987 120.570 -0.055 0.000 2.934 262 I HA 0.468 4.629 4.170 -0.015 0.000 0.315 262 I C 0.220 176.327 176.117 -0.017 0.000 0.997 262 I CA -0.797 60.485 61.300 -0.029 0.000 1.184 262 I CB 1.232 39.203 38.000 -0.049 0.000 1.400 262 I HN 0.414 nan 8.210 nan 0.000 0.549 263 E N 2.407 122.618 120.200 0.017 0.000 2.640 263 E HA 0.121 4.462 4.350 -0.015 0.000 0.360 263 E C -1.224 175.231 176.600 -0.241 0.000 1.014 263 E CA -0.297 56.033 56.400 -0.116 0.000 0.757 263 E CB 1.577 31.225 29.700 -0.086 0.000 1.565 263 E HN 0.756 nan 8.360 nan 0.000 0.381 264 T N -0.356 114.121 114.554 -0.129 0.000 2.901 264 T HA 0.371 4.712 4.350 -0.015 0.000 0.301 264 T C -0.161 174.473 174.700 -0.109 0.000 1.012 264 T CA -0.062 62.113 62.100 0.126 0.000 1.135 264 T CB 0.373 69.432 68.868 0.318 0.000 0.936 264 T HN 0.176 nan 8.240 nan 0.000 0.539 265 Y N 2.247 122.762 120.300 0.359 0.000 2.341 265 Y HA 0.507 5.050 4.550 -0.013 0.000 0.338 265 Y C 0.614 176.643 175.900 0.215 0.000 0.965 265 Y CA -1.759 56.504 58.100 0.271 0.000 1.108 265 Y CB 1.418 40.034 38.460 0.260 0.000 1.180 265 Y HN 0.657 nan 8.280 nan 0.000 0.458 266 L N 3.008 124.373 121.223 0.237 0.000 3.632 266 L HA -0.252 4.079 4.340 -0.015 0.000 0.510 266 L C -0.379 176.538 176.870 0.079 0.000 1.299 266 L CA -0.131 54.751 54.840 0.070 0.000 0.829 266 L CB -1.175 40.864 42.059 -0.032 0.000 1.559 266 L HN 0.548 nan 8.230 nan 0.000 0.857 267 L N 1.301 122.550 121.223 0.044 0.000 2.529 267 L HA 0.011 4.343 4.340 -0.015 0.000 0.287 267 L C 1.241 178.102 176.870 -0.016 0.000 1.241 267 L CA 0.830 55.621 54.840 -0.082 0.000 0.857 267 L CB 0.420 42.273 42.059 -0.344 0.000 1.113 267 L HN 0.324 nan 8.230 nan 0.000 0.504 268 E N 3.479 123.709 120.200 0.051 0.000 1.856 268 E HA 0.044 4.386 4.350 -0.015 0.000 0.263 268 E C 0.641 177.313 176.600 0.119 0.000 1.137 268 E CA -0.133 56.322 56.400 0.090 0.000 1.007 268 E CB 0.260 30.038 29.700 0.131 0.000 1.117 268 E HN 0.640 nan 8.360 nan 0.000 0.438 269 K N 0.631 121.061 120.400 0.051 0.000 2.034 269 K HA -0.233 4.079 4.320 -0.015 0.000 0.214 269 K C 2.139 178.766 176.600 0.044 0.000 1.051 269 K CA 1.820 58.143 56.287 0.059 0.000 0.931 269 K CB -0.253 32.273 32.500 0.044 0.000 0.715 269 K HN 0.426 nan 8.250 nan 0.000 0.446 270 S N 1.372 117.083 115.700 0.018 0.000 2.413 270 S HA -0.269 4.192 4.470 -0.015 0.000 0.237 270 S C 2.065 176.655 174.600 -0.017 0.000 1.044 270 S CA 1.640 59.839 58.200 -0.002 0.000 1.024 270 S CB -0.351 62.852 63.200 0.004 0.000 0.829 270 S HN 0.318 nan 8.310 nan 0.000 0.475 271 R N 0.546 121.027 120.500 -0.032 0.000 2.115 271 R HA -0.007 4.324 4.340 -0.015 0.000 0.230 271 R C 1.997 178.177 176.300 -0.201 0.000 1.111 271 R CA 1.330 57.331 56.100 -0.165 0.000 0.976 271 R CB -0.587 29.484 30.300 -0.382 0.000 0.870 271 R HN 0.429 nan 8.270 nan 0.000 0.445 272 V N 0.502 120.347 119.914 -0.114 0.000 2.527 272 V HA -0.268 3.844 4.120 -0.015 0.000 0.255 272 V C 2.029 177.896 176.094 -0.378 0.000 1.081 272 V CA 2.340 64.517 62.300 -0.204 0.000 1.092 272 V CB -0.651 31.066 31.823 -0.175 0.000 0.673 272 V HN 0.691 nan 8.190 nan 0.000 0.470 273 T N -5.161 109.146 114.554 -0.411 0.000 3.043 273 T HA 0.225 4.567 4.350 -0.015 0.000 0.272 273 T C -0.225 174.311 174.700 -0.274 0.000 0.990 273 T CA -0.162 61.511 62.100 -0.711 0.000 0.897 273 T CB 0.199 68.509 68.868 -0.929 0.000 1.111 273 T HN 0.361 nan 8.240 nan 0.000 0.529 274 Y N 1.318 121.457 120.300 -0.269 0.000 2.544 274 Y HA 0.662 5.203 4.550 -0.015 0.000 0.342 274 Y C -2.070 173.749 175.900 -0.136 0.000 1.062 274 Y CA -1.194 56.808 58.100 -0.163 0.000 1.023 274 Y CB 1.948 40.326 38.460 -0.137 0.000 1.308 274 Y HN 0.052 nan 8.280 nan 0.000 0.457 275 Q N 3.466 122.680 119.800 -0.977 0.000 2.331 275 Q HA 0.421 4.752 4.340 -0.015 0.000 0.272 275 Q C -1.351 173.972 176.000 -1.128 0.000 1.062 275 Q CA -0.862 54.415 55.803 -0.877 0.000 0.806 275 Q CB 2.629 31.145 28.738 -0.371 0.000 1.312 275 Q HN 0.646 nan 8.270 nan 0.000 0.431 276 Q N 0.555 119.881 119.800 -0.790 0.000 2.394 276 Q HA 0.390 4.721 4.340 -0.015 0.000 0.248 276 Q C -0.125 175.738 176.000 -0.229 0.000 0.992 276 Q CA -0.410 55.161 55.803 -0.387 0.000 0.888 276 Q CB 0.738 29.372 28.738 -0.173 0.000 1.257 276 Q HN 0.752 nan 8.270 nan 0.000 0.462 277 S N 0.337 115.978 115.700 -0.100 0.000 2.569 277 S HA 0.305 4.767 4.470 -0.015 0.000 0.274 277 S C 0.724 175.284 174.600 -0.066 0.000 1.353 277 S CA -0.186 57.977 58.200 -0.062 0.000 1.023 277 S CB 0.884 64.074 63.200 -0.018 0.000 0.876 277 S HN 1.070 nan 8.310 nan 0.000 0.540 278 A N -0.347 122.442 122.820 -0.052 0.000 3.028 278 A HA -0.142 4.169 4.320 -0.015 0.000 0.248 278 A C 0.154 177.694 177.584 -0.074 0.000 1.316 278 A CA 1.183 53.191 52.037 -0.049 0.000 1.003 278 A CB -2.462 16.517 19.000 -0.036 0.000 1.148 278 A HN 0.890 nan 8.150 nan 0.000 0.828 279 E N -1.591 118.545 120.200 -0.106 0.000 2.433 279 E HA 0.724 5.065 4.350 -0.015 0.000 0.273 279 E C -0.095 176.407 176.600 -0.164 0.000 0.950 279 E CA -1.078 55.233 56.400 -0.148 0.000 0.796 279 E CB 1.575 31.161 29.700 -0.190 0.000 1.330 279 E HN 0.451 nan 8.360 nan 0.000 0.455 280 R N 0.461 120.816 120.500 -0.243 0.000 2.930 280 R HA 0.402 4.733 4.340 -0.015 0.000 0.257 280 R C -0.192 175.910 176.300 -0.329 0.000 1.107 280 R CA -0.925 54.978 56.100 -0.329 0.000 0.999 280 R CB 1.265 31.136 30.300 -0.715 0.000 1.209 280 R HN 0.405 nan 8.270 nan 0.000 0.486 281 N N 0.189 118.811 118.700 -0.131 0.000 2.405 281 N HA 0.091 4.822 4.740 -0.015 0.000 0.269 281 N C -0.794 174.618 175.510 -0.163 0.000 1.249 281 N CA -0.074 52.934 53.050 -0.070 0.000 0.974 281 N CB 0.357 38.994 38.487 0.249 0.000 1.204 281 N HN 0.258 nan 8.380 nan 0.000 0.565 282 Y N 2.456 122.816 120.300 0.100 0.000 2.865 282 Y HA -0.109 4.428 4.550 -0.021 0.000 0.338 282 Y C 1.986 177.916 175.900 0.050 0.000 1.269 282 Y CA 0.362 58.460 58.100 -0.003 0.000 1.585 282 Y CB -0.262 38.249 38.460 0.085 0.000 1.224 282 Y HN 0.509 nan 8.280 nan 0.000 0.554 283 H N 3.203 122.328 119.070 0.091 0.000 2.275 283 H HA -0.342 4.204 4.556 -0.017 0.000 0.279 283 H C 2.158 177.511 175.328 0.042 0.000 1.121 283 H CA 2.470 58.524 56.048 0.009 0.000 1.175 283 H CB -0.837 28.928 29.762 0.005 0.000 1.390 283 H HN 0.819 nan 8.280 nan 0.000 0.521 284 I N -1.191 119.391 120.570 0.019 0.000 2.345 284 I HA -0.412 3.749 4.170 -0.015 0.000 0.228 284 I C 2.311 178.338 176.117 -0.151 0.000 0.960 284 I CA 2.465 63.612 61.300 -0.254 0.000 1.262 284 I CB -1.312 36.265 38.000 -0.705 0.000 0.969 284 I HN -0.034 nan 8.210 nan 0.000 0.385 285 F N 0.673 120.654 119.950 0.053 0.000 2.064 285 F HA -0.307 4.211 4.527 -0.016 0.000 0.293 285 F C 2.576 178.357 175.800 -0.031 0.000 1.086 285 F CA 2.303 60.317 58.000 0.023 0.000 1.242 285 F CB -1.499 37.560 39.000 0.098 0.000 0.970 285 F HN 0.116 nan 8.300 nan 0.000 0.494 286 Y N 0.162 120.532 120.300 0.117 0.000 2.242 286 Y HA -0.229 4.315 4.550 -0.011 0.000 0.291 286 Y C 2.648 178.534 175.900 -0.023 0.000 1.137 286 Y CA 1.539 59.671 58.100 0.053 0.000 1.181 286 Y CB -1.231 37.275 38.460 0.077 0.000 0.989 286 Y HN 0.313 nan 8.280 nan 0.000 0.527 287 Q N -0.277 119.559 119.800 0.061 0.000 2.187 287 Q HA -0.094 4.237 4.340 -0.015 0.000 0.199 287 Q C 2.046 177.829 176.000 -0.362 0.000 0.957 287 Q CA 1.464 57.209 55.803 -0.097 0.000 0.857 287 Q CB -0.687 27.973 28.738 -0.130 0.000 0.929 287 Q HN 0.481 nan 8.270 nan 0.000 0.453 288 I N 1.062 121.353 120.570 -0.465 0.000 2.399 288 I HA -0.259 3.902 4.170 -0.015 0.000 0.254 288 I C 1.186 177.230 176.117 -0.122 0.000 1.146 288 I CA 0.771 61.803 61.300 -0.447 0.000 1.412 288 I CB -0.031 37.834 38.000 -0.225 0.000 1.076 288 I HN 0.403 nan 8.210 nan 0.000 0.432 289 C N 0.012 119.262 119.300 -0.083 0.000 2.688 289 C HA 0.124 4.575 4.460 -0.015 0.000 0.297 289 C C 2.657 177.678 174.990 0.052 0.000 1.308 289 C CA 0.167 59.172 59.018 -0.022 0.000 1.726 289 C CB -1.699 25.993 27.740 -0.080 0.000 1.982 289 C HN 0.569 nan 8.230 nan 0.000 0.604 290 S N 1.380 117.135 115.700 0.092 0.000 2.406 290 S HA -0.112 4.349 4.470 -0.015 0.000 0.228 290 S C 1.045 175.740 174.600 0.158 0.000 1.020 290 S CA 1.443 59.729 58.200 0.144 0.000 0.965 290 S CB -0.461 62.867 63.200 0.213 0.000 0.798 290 S HN 0.579 nan 8.310 nan 0.000 0.488 291 N N 0.000 118.820 118.700 0.200 0.000 2.861 291 N HA -0.151 4.580 4.740 -0.015 0.000 0.247 291 N C 0.504 176.083 175.510 0.115 0.000 1.117 291 N CA 0.968 54.105 53.050 0.144 0.000 0.703 291 N CB -1.652 36.891 38.487 0.093 0.000 1.052 291 N HN 0.551 nan 8.380 nan 0.000 0.555 292 A N -0.080 122.845 122.820 0.175 0.000 1.872 292 A HA 0.252 4.563 4.320 -0.015 0.000 0.214 292 A C 1.120 178.613 177.584 -0.152 0.000 1.187 292 A CA 1.213 53.258 52.037 0.014 0.000 0.614 292 A CB 0.101 19.109 19.000 0.013 0.000 0.826 292 A HN 0.397 nan 8.150 nan 0.000 0.442 293 I N 0.041 120.457 120.570 -0.256 0.000 2.620 293 I HA 0.184 4.345 4.170 -0.015 0.000 0.280 293 I C -2.114 173.941 176.117 -0.104 0.000 1.143 293 I CA -1.636 59.511 61.300 -0.255 0.000 1.163 293 I CB 1.442 39.164 38.000 -0.463 0.000 1.461 293 I HN 0.062 nan 8.210 nan 0.000 0.530 294 P HA -0.229 nan 4.420 nan 0.000 0.217 294 P C 1.348 178.645 177.300 -0.005 0.000 1.151 294 P CA 1.508 64.609 63.100 0.001 0.000 0.849 294 P CB 0.216 31.918 31.700 0.002 0.000 0.787 295 E N -0.568 119.613 120.200 -0.032 0.000 2.428 295 E HA -0.026 4.315 4.350 -0.015 0.000 0.199 295 E C 1.386 177.968 176.600 -0.030 0.000 1.172 295 E CA 0.688 57.071 56.400 -0.027 0.000 0.941 295 E CB -1.562 28.115 29.700 -0.039 0.000 1.001 295 E HN 0.281 nan 8.360 nan 0.000 0.501 296 L N -1.663 119.548 121.223 -0.021 0.000 3.227 296 L HA 0.135 4.466 4.340 -0.015 0.000 0.287 296 L C 1.845 178.745 176.870 0.050 0.000 1.161 296 L CA -0.105 54.728 54.840 -0.012 0.000 1.048 296 L CB 0.229 42.238 42.059 -0.084 0.000 1.541 296 L HN 0.181 nan 8.230 nan 0.000 0.590 297 N N 1.357 120.095 118.700 0.063 0.000 2.037 297 N HA -0.230 4.501 4.740 -0.015 0.000 0.196 297 N C 0.867 176.438 175.510 0.103 0.000 1.034 297 N CA 2.202 55.307 53.050 0.092 0.000 0.861 297 N CB 0.008 38.544 38.487 0.082 0.000 1.039 297 N HN 0.312 nan 8.380 nan 0.000 0.427 298 D N -0.180 120.270 120.400 0.082 0.000 2.312 298 D HA -0.012 4.619 4.640 -0.015 0.000 0.211 298 D C 1.864 178.234 176.300 0.118 0.000 0.964 298 D CA 0.122 54.177 54.000 0.091 0.000 0.877 298 D CB 0.103 40.941 40.800 0.064 0.000 0.924 298 D HN 0.048 nan 8.370 nan 0.000 0.515 299 V N 0.180 120.156 119.914 0.102 0.000 2.719 299 V HA -0.085 4.026 4.120 -0.015 0.000 0.252 299 V C 1.881 178.063 176.094 0.148 0.000 1.065 299 V CA 1.199 63.566 62.300 0.112 0.000 1.086 299 V CB -0.195 31.666 31.823 0.064 0.000 0.700 299 V HN 0.269 nan 8.190 nan 0.000 0.467 300 M N -1.629 118.067 119.600 0.159 0.000 2.367 300 M HA 0.314 4.786 4.480 -0.015 0.000 0.256 300 M C 0.796 177.251 176.300 0.258 0.000 1.091 300 M CA 0.270 55.690 55.300 0.200 0.000 1.049 300 M CB 0.644 33.358 32.600 0.190 0.000 1.406 300 M HN 0.101 nan 8.290 nan 0.000 0.498 301 L N -0.129 121.229 121.223 0.226 0.000 4.800 301 L HA -0.166 4.165 4.340 -0.015 0.000 0.412 301 L C 0.182 177.244 176.870 0.321 0.000 1.063 301 L CA -0.272 54.706 54.840 0.229 0.000 1.114 301 L CB -2.094 40.080 42.059 0.192 0.000 2.089 301 L HN 0.294 nan 8.230 nan 0.000 0.686 302 V N -3.337 116.741 119.914 0.273 0.000 2.834 302 V HA 0.543 4.654 4.120 -0.015 0.000 0.301 302 V C 0.831 177.053 176.094 0.213 0.000 1.066 302 V CA -0.012 62.428 62.300 0.234 0.000 1.052 302 V CB 1.482 33.339 31.823 0.057 0.000 1.021 302 V HN 0.144 nan 8.190 nan 0.000 0.480 303 T N 5.276 119.997 114.554 0.280 0.000 2.756 303 T HA 0.430 4.772 4.350 -0.015 0.000 0.290 303 T C -2.597 172.214 174.700 0.184 0.000 0.985 303 T CA -1.043 61.185 62.100 0.213 0.000 0.955 303 T CB 1.238 70.234 68.868 0.212 0.000 0.930 303 T HN 0.729 nan 8.240 nan 0.000 0.451 304 P HA 0.137 nan 4.420 nan 0.000 0.231 304 P C -0.759 176.599 177.300 0.097 0.000 1.210 304 P CA 0.440 63.597 63.100 0.095 0.000 1.332 304 P CB -0.076 31.677 31.700 0.087 0.000 1.594 305 D N 0.980 121.448 120.400 0.113 0.000 2.726 305 D HA 0.059 4.690 4.640 -0.015 0.000 0.203 305 D C 0.687 177.058 176.300 0.118 0.000 1.297 305 D CA -0.300 53.768 54.000 0.113 0.000 0.863 305 D CB 0.945 41.824 40.800 0.131 0.000 1.669 305 D HN 0.073 nan 8.370 nan 0.000 0.561 306 S N 1.752 117.466 115.700 0.024 0.000 2.341 306 S HA 0.112 4.574 4.470 -0.015 0.000 0.216 306 S C 2.016 176.605 174.600 -0.017 0.000 1.034 306 S CA 0.739 58.881 58.200 -0.096 0.000 0.964 306 S CB -0.612 62.448 63.200 -0.233 0.000 0.882 306 S HN 0.524 nan 8.310 nan 0.000 0.469 307 G N 1.081 109.876 108.800 -0.008 0.000 3.122 307 G HA2 0.157 4.108 3.960 -0.015 0.000 0.201 307 G HA3 0.157 4.108 3.960 -0.015 0.000 0.201 307 G C 0.736 175.645 174.900 0.014 0.000 1.214 307 G CA 0.505 45.609 45.100 0.006 0.000 1.027 307 G HN 0.459 nan 8.290 nan 0.000 0.499 308 L N -1.966 119.290 121.223 0.055 0.000 2.840 308 L HA 0.508 4.840 4.340 -0.015 0.000 0.249 308 L C -0.500 176.203 176.870 -0.279 0.000 1.119 308 L CA -0.447 54.339 54.840 -0.091 0.000 0.930 308 L CB 0.476 42.468 42.059 -0.112 0.000 1.295 308 L HN 0.073 nan 8.230 nan 0.000 0.534 309 Y N 0.313 120.547 120.300 -0.109 0.000 2.353 309 Y HA 0.321 4.862 4.550 -0.014 0.000 0.340 309 Y C 1.900 177.731 175.900 -0.116 0.000 0.972 309 Y CA -0.224 57.792 58.100 -0.141 0.000 1.157 309 Y CB 1.221 39.568 38.460 -0.189 0.000 1.157 309 Y HN 0.149 nan 8.280 nan 0.000 0.495 310 S N 1.932 117.611 115.700 -0.036 0.000 2.380 310 S HA -0.241 4.220 4.470 -0.015 0.000 0.229 310 S C 1.694 176.426 174.600 0.219 0.000 1.043 310 S CA 1.410 59.638 58.200 0.048 0.000 1.038 310 S CB -0.508 62.701 63.200 0.016 0.000 0.872 310 S HN 0.555 nan 8.310 nan 0.000 0.456 311 F N 2.538 122.456 119.950 -0.053 0.000 2.293 311 F HA 0.155 4.674 4.527 -0.013 0.000 0.300 311 F C 2.213 177.898 175.800 -0.192 0.000 1.086 311 F CA 0.038 57.959 58.000 -0.132 0.000 1.375 311 F CB -0.782 38.094 39.000 -0.206 0.000 1.045 311 F HN 0.424 nan 8.300 nan 0.000 0.516 312 I N -1.992 118.566 120.570 -0.020 0.000 3.339 312 I HA 0.091 4.252 4.170 -0.015 0.000 0.285 312 I C 0.880 176.982 176.117 -0.026 0.000 1.201 312 I CA 0.381 61.622 61.300 -0.098 0.000 1.434 312 I CB -0.715 37.070 38.000 -0.359 0.000 1.152 312 I HN 0.037 nan 8.210 nan 0.000 0.443 313 N N 1.844 120.526 118.700 -0.030 0.000 2.878 313 N HA 0.061 4.792 4.740 -0.015 0.000 0.282 313 N C 0.724 176.262 175.510 0.045 0.000 1.284 313 N CA -0.168 52.891 53.050 0.015 0.000 1.053 313 N CB 0.291 38.780 38.487 0.002 0.000 1.382 313 N HN 0.581 nan 8.380 nan 0.000 0.529 314 Q N -0.188 119.638 119.800 0.043 0.000 2.349 314 Q HA 0.135 4.466 4.340 -0.015 0.000 0.209 314 Q C 1.176 177.175 176.000 -0.003 0.000 0.920 314 Q CA 0.468 56.286 55.803 0.026 0.000 0.901 314 Q CB 0.601 29.351 28.738 0.020 0.000 1.021 314 Q HN 0.559 nan 8.270 nan 0.000 0.519 315 G N -0.240 108.551 108.800 -0.015 0.000 2.945 315 G HA2 0.198 4.150 3.960 -0.015 0.000 0.156 315 G HA3 0.198 4.150 3.960 -0.015 0.000 0.156 315 G C -0.648 174.267 174.900 0.025 0.000 1.375 315 G CA -0.545 44.536 45.100 -0.032 0.000 1.039 315 G HN 0.236 nan 8.290 nan 0.000 0.586 316 C N -0.706 118.602 119.300 0.012 0.000 2.656 316 C HA 0.407 4.858 4.460 -0.015 0.000 0.391 316 C C 1.728 176.799 174.990 0.135 0.000 1.300 316 C CA -0.090 58.953 59.018 0.042 0.000 2.302 316 C CB -0.288 27.453 27.740 0.002 0.000 2.655 316 C HN 0.464 nan 8.230 nan 0.000 0.656 317 L N 1.886 123.219 121.223 0.184 0.000 2.766 317 L HA 0.216 4.548 4.340 -0.015 0.000 0.242 317 L C 0.629 177.694 176.870 0.325 0.000 1.136 317 L CA 0.362 55.440 54.840 0.397 0.000 0.933 317 L CB 0.068 42.261 42.059 0.224 0.000 1.241 317 L HN 0.890 nan 8.230 nan 0.000 0.522 318 T N -1.984 112.646 114.554 0.127 0.000 3.105 318 T HA 0.506 4.847 4.350 -0.015 0.000 0.321 318 T C -0.615 174.089 174.700 0.005 0.000 1.135 318 T CA -0.737 61.405 62.100 0.070 0.000 1.053 318 T CB 1.609 70.522 68.868 0.074 0.000 1.133 318 T HN -0.181 nan 8.240 nan 0.000 0.463 319 V N 0.589 120.491 119.914 -0.020 0.000 2.364 319 V HA 0.437 4.548 4.120 -0.015 0.000 0.272 319 V C 0.018 176.097 176.094 -0.025 0.000 1.036 319 V CA -1.032 61.250 62.300 -0.029 0.000 0.880 319 V CB 0.530 32.334 31.823 -0.032 0.000 0.991 319 V HN 0.923 nan 8.190 nan 0.000 0.460 320 D N 5.352 125.737 120.400 -0.024 0.000 2.531 320 D HA -0.015 4.616 4.640 -0.015 0.000 0.239 320 D C 0.639 176.922 176.300 -0.029 0.000 1.144 320 D CA 0.822 54.809 54.000 -0.023 0.000 0.869 320 D CB 0.160 40.943 40.800 -0.029 0.000 1.160 320 D HN 0.826 nan 8.370 nan 0.000 0.484 321 N N 1.461 120.148 118.700 -0.022 0.000 2.862 321 N HA -0.149 4.583 4.740 -0.015 0.000 0.248 321 N C -0.832 174.659 175.510 -0.032 0.000 1.116 321 N CA 0.353 53.389 53.050 -0.023 0.000 0.727 321 N CB -0.699 37.772 38.487 -0.026 0.000 1.083 321 N HN 0.442 nan 8.380 nan 0.000 0.555 322 I N 1.210 121.757 120.570 -0.038 0.000 2.576 322 I HA 0.105 4.267 4.170 -0.015 0.000 0.279 322 I C -0.226 175.866 176.117 -0.042 0.000 1.114 322 I CA -0.648 60.611 61.300 -0.068 0.000 1.076 322 I CB 1.464 39.389 38.000 -0.125 0.000 1.212 322 I HN -0.066 nan 8.210 nan 0.000 0.472 323 D N 4.603 124.991 120.400 -0.021 0.000 2.343 323 D HA 0.154 4.785 4.640 -0.015 0.000 0.255 323 D C 0.942 177.255 176.300 0.021 0.000 1.187 323 D CA 0.266 54.272 54.000 0.009 0.000 0.875 323 D CB 1.352 42.163 40.800 0.018 0.000 1.136 323 D HN 0.324 nan 8.370 nan 0.000 0.469 324 D N 3.066 123.494 120.400 0.047 0.000 2.084 324 D HA -0.146 4.485 4.640 -0.015 0.000 0.199 324 D C 2.310 178.694 176.300 0.140 0.000 0.981 324 D CA 1.668 55.715 54.000 0.079 0.000 0.841 324 D CB -0.625 40.236 40.800 0.102 0.000 0.997 324 D HN 0.441 nan 8.370 nan 0.000 0.454 325 V N 0.527 120.528 119.914 0.145 0.000 2.280 325 V HA -0.301 3.810 4.120 -0.015 0.000 0.258 325 V C 2.143 178.329 176.094 0.154 0.000 1.081 325 V CA 2.170 64.572 62.300 0.170 0.000 1.070 325 V CB -0.635 31.250 31.823 0.102 0.000 0.666 325 V HN 0.026 nan 8.190 nan 0.000 0.450 326 E N 0.187 120.447 120.200 0.100 0.000 2.016 326 E HA -0.158 4.183 4.350 -0.015 0.000 0.190 326 E C 2.359 179.020 176.600 0.101 0.000 0.985 326 E CA 1.522 57.966 56.400 0.074 0.000 0.802 326 E CB -0.430 29.295 29.700 0.042 0.000 0.762 326 E HN 0.810 nan 8.360 nan 0.000 0.448 327 E N -0.319 119.933 120.200 0.087 0.000 2.393 327 E HA -0.190 4.152 4.350 -0.015 0.000 0.201 327 E C 1.671 178.386 176.600 0.192 0.000 1.025 327 E CA 0.321 56.770 56.400 0.082 0.000 0.856 327 E CB -0.087 29.618 29.700 0.009 0.000 0.771 327 E HN 0.108 nan 8.360 nan 0.000 0.526 328 F N 1.641 121.614 119.950 0.039 0.000 2.123 328 F HA -0.031 4.487 4.527 -0.015 0.000 0.289 328 F C 1.778 177.629 175.800 0.084 0.000 1.099 328 F CA 1.229 59.276 58.000 0.078 0.000 1.234 328 F CB -0.409 38.633 39.000 0.071 0.000 1.034 328 F HN -0.203 nan 8.300 nan 0.000 0.479 329 K N 0.605 121.065 120.400 0.100 0.000 2.044 329 K HA -0.203 4.109 4.320 -0.015 0.000 0.210 329 K C 2.133 178.752 176.600 0.032 0.000 1.049 329 K CA 2.142 58.389 56.287 -0.067 0.000 0.927 329 K CB -0.614 31.852 32.500 -0.056 0.000 0.713 329 K HN 0.326 nan 8.250 nan 0.000 0.443 330 L N 0.633 121.897 121.223 0.067 0.000 2.083 330 L HA -0.243 4.088 4.340 -0.015 0.000 0.209 330 L C 2.845 179.744 176.870 0.047 0.000 1.083 330 L CA 0.747 55.613 54.840 0.044 0.000 0.752 330 L CB -0.712 41.367 42.059 0.033 0.000 0.899 330 L HN 0.418 nan 8.230 nan 0.000 0.433 331 C N 1.090 120.462 119.300 0.121 0.000 2.440 331 C HA -0.261 4.190 4.460 -0.015 0.000 0.282 331 C C 2.709 177.749 174.990 0.085 0.000 1.223 331 C CA 1.579 60.650 59.018 0.088 0.000 1.744 331 C CB -0.707 27.209 27.740 0.294 0.000 2.061 331 C HN 0.797 nan 8.230 nan 0.000 0.456 332 D N 0.232 120.872 120.400 0.401 0.000 2.230 332 D HA -0.303 4.328 4.640 -0.015 0.000 0.189 332 D C 1.832 178.305 176.300 0.290 0.000 1.006 332 D CA 2.688 57.012 54.000 0.541 0.000 0.853 332 D CB -0.723 40.209 40.800 0.220 0.000 0.959 332 D HN 0.691 nan 8.370 nan 0.000 0.449 333 E N -0.211 120.062 120.200 0.122 0.000 2.113 333 E HA -0.321 4.021 4.350 -0.015 0.000 0.210 333 E C 2.111 178.730 176.600 0.031 0.000 1.040 333 E CA 2.222 58.659 56.400 0.063 0.000 0.847 333 E CB -0.793 28.920 29.700 0.022 0.000 0.755 333 E HN 0.466 nan 8.360 nan 0.000 0.459 334 A N -0.336 122.446 122.820 -0.063 0.000 1.892 334 A HA -0.223 4.088 4.320 -0.015 0.000 0.218 334 A C 2.055 179.516 177.584 -0.206 0.000 1.188 334 A CA 1.877 53.806 52.037 -0.180 0.000 0.631 334 A CB -1.066 17.741 19.000 -0.323 0.000 0.822 334 A HN 0.354 nan 8.150 nan 0.000 0.447 335 F N 0.786 120.679 119.950 -0.095 0.000 2.069 335 F HA -0.218 4.302 4.527 -0.012 0.000 0.298 335 F C 2.240 178.052 175.800 0.020 0.000 1.113 335 F CA 1.754 59.625 58.000 -0.214 0.000 1.214 335 F CB -0.812 38.097 39.000 -0.151 0.000 0.978 335 F HN 0.229 nan 8.300 nan 0.000 0.474 336 D N 0.505 121.067 120.400 0.270 0.000 2.157 336 D HA -0.240 4.391 4.640 -0.015 0.000 0.191 336 D C 2.293 178.681 176.300 0.147 0.000 1.004 336 D CA 1.921 56.041 54.000 0.200 0.000 0.854 336 D CB -0.648 40.234 40.800 0.136 0.000 0.936 336 D HN 0.301 nan 8.370 nan 0.000 0.446 337 I N 0.358 120.980 120.570 0.088 0.000 2.676 337 I HA -0.161 4.000 4.170 -0.015 0.000 0.259 337 I C 2.023 178.178 176.117 0.062 0.000 1.194 337 I CA 0.184 61.516 61.300 0.054 0.000 1.473 337 I CB 0.014 38.022 38.000 0.014 0.000 1.096 337 I HN 0.004 nan 8.210 nan 0.000 0.443 338 L N 0.485 121.761 121.223 0.089 0.000 2.478 338 L HA 0.060 4.391 4.340 -0.015 0.000 0.223 338 L C 1.763 178.756 176.870 0.204 0.000 1.140 338 L CA 1.633 56.547 54.840 0.123 0.000 0.842 338 L CB -1.186 40.947 42.059 0.124 0.000 0.953 338 L HN 0.543 nan 8.230 nan 0.000 0.452 339 G N -1.856 107.082 108.800 0.230 0.000 2.211 339 G HA2 -0.246 3.705 3.960 -0.015 0.000 0.201 339 G HA3 -0.246 3.705 3.960 -0.015 0.000 0.201 339 G C 0.307 175.334 174.900 0.212 0.000 0.997 339 G CA -0.480 44.720 45.100 0.166 0.000 0.652 339 G HN 0.109 nan 8.290 nan 0.000 0.500 340 F N 2.858 122.860 119.950 0.087 0.000 2.626 340 F HA 0.387 4.905 4.527 -0.014 0.000 0.354 340 F C 1.850 177.708 175.800 0.096 0.000 1.168 340 F CA 1.194 59.262 58.000 0.114 0.000 1.368 340 F CB 0.490 39.614 39.000 0.207 0.000 1.092 340 F HN 0.262 nan 8.300 nan 0.000 0.612 341 T N -0.510 114.141 114.554 0.161 0.000 2.893 341 T HA 0.274 4.615 4.350 -0.015 0.000 0.281 341 T C 1.087 175.873 174.700 0.143 0.000 1.027 341 T CA -0.792 61.377 62.100 0.116 0.000 0.953 341 T CB 1.062 69.957 68.868 0.045 0.000 1.434 341 T HN 0.607 nan 8.240 nan 0.000 0.597 342 K N 0.330 120.787 120.400 0.096 0.000 2.186 342 K HA -0.064 4.247 4.320 -0.015 0.000 0.202 342 K C 1.900 178.548 176.600 0.080 0.000 1.052 342 K CA 0.571 56.913 56.287 0.092 0.000 0.965 342 K CB -0.024 32.512 32.500 0.060 0.000 0.746 342 K HN 0.630 nan 8.250 nan 0.000 0.457 343 E N 1.678 121.909 120.200 0.051 0.000 1.987 343 E HA -0.231 4.110 4.350 -0.015 0.000 0.200 343 E C 1.685 178.300 176.600 0.025 0.000 0.990 343 E CA 1.283 57.697 56.400 0.023 0.000 0.859 343 E CB -0.891 28.809 29.700 -0.001 0.000 0.805 343 E HN 0.338 nan 8.360 nan 0.000 0.499 344 E N 1.454 121.658 120.200 0.008 0.000 2.170 344 E HA -0.328 4.013 4.350 -0.015 0.000 0.229 344 E C 2.123 178.775 176.600 0.086 0.000 1.074 344 E CA 2.333 58.738 56.400 0.008 0.000 0.930 344 E CB -0.379 29.297 29.700 -0.041 0.000 0.806 344 E HN 0.310 nan 8.360 nan 0.000 0.478 345 K N 0.839 121.357 120.400 0.197 0.000 1.981 345 K HA -0.337 3.974 4.320 -0.015 0.000 0.228 345 K C 2.292 178.982 176.600 0.151 0.000 1.050 345 K CA 2.372 58.727 56.287 0.112 0.000 1.001 345 K CB -0.216 32.411 32.500 0.211 0.000 0.738 345 K HN 0.119 nan 8.250 nan 0.000 0.447 346 Q N 0.061 120.018 119.800 0.262 0.000 2.173 346 Q HA -0.201 4.131 4.340 -0.015 0.000 0.208 346 Q C 2.260 178.381 176.000 0.203 0.000 0.989 346 Q CA 2.059 58.050 55.803 0.313 0.000 0.872 346 Q CB -0.110 28.710 28.738 0.136 0.000 0.909 346 Q HN 0.405 nan 8.270 nan 0.000 0.420 347 S N 0.228 115.958 115.700 0.051 0.000 2.351 347 S HA -0.210 4.251 4.470 -0.015 0.000 0.220 347 S C 1.857 176.423 174.600 -0.057 0.000 1.035 347 S CA 1.197 59.370 58.200 -0.044 0.000 1.031 347 S CB -0.216 62.889 63.200 -0.157 0.000 0.928 347 S HN 0.305 nan 8.310 nan 0.000 0.433 348 M N 0.697 120.212 119.600 -0.142 0.000 2.609 348 M HA -0.202 4.270 4.480 -0.015 0.000 0.261 348 M C 1.961 178.189 176.300 -0.119 0.000 1.061 348 M CA 1.818 56.983 55.300 -0.225 0.000 1.068 348 M CB -1.869 30.454 32.600 -0.462 0.000 1.258 348 M HN 0.269 nan 8.290 nan 0.000 0.471 349 F N 0.346 120.313 119.950 0.029 0.000 2.045 349 F HA -0.313 4.206 4.527 -0.013 0.000 0.297 349 F C 2.502 178.348 175.800 0.077 0.000 1.114 349 F CA 1.954 60.002 58.000 0.080 0.000 1.207 349 F CB -1.127 37.931 39.000 0.097 0.000 0.964 349 F HN 0.226 nan 8.300 nan 0.000 0.486 350 K N -0.213 120.337 120.400 0.251 0.000 1.988 350 K HA -0.273 4.039 4.320 -0.015 0.000 0.221 350 K C 2.076 178.767 176.600 0.151 0.000 1.053 350 K CA 2.208 58.595 56.287 0.167 0.000 0.959 350 K CB -1.121 31.429 32.500 0.082 0.000 0.728 350 K HN 0.316 nan 8.250 nan 0.000 0.447 351 C N 0.778 120.134 119.300 0.093 0.000 2.396 351 C HA -0.151 4.300 4.460 -0.015 0.000 0.277 351 C C 2.846 177.954 174.990 0.195 0.000 1.231 351 C CA 1.367 60.451 59.018 0.110 0.000 1.775 351 C CB -1.252 26.504 27.740 0.027 0.000 2.036 351 C HN 0.573 nan 8.230 nan 0.000 0.484 352 T N 1.166 115.837 114.554 0.195 0.000 2.737 352 T HA -0.059 4.282 4.350 -0.015 0.000 0.265 352 T C 2.211 177.111 174.700 0.335 0.000 1.038 352 T CA 1.561 63.824 62.100 0.272 0.000 1.144 352 T CB -0.466 68.486 68.868 0.140 0.000 0.866 352 T HN 0.660 nan 8.240 nan 0.000 0.434 353 A N 2.179 125.144 122.820 0.240 0.000 1.908 353 A HA -0.136 4.175 4.320 -0.015 0.000 0.218 353 A C 2.615 180.310 177.584 0.186 0.000 1.181 353 A CA 2.324 54.471 52.037 0.183 0.000 0.627 353 A CB -1.137 17.982 19.000 0.197 0.000 0.818 353 A HN 0.604 nan 8.150 nan 0.000 0.445 354 S N 0.655 116.516 115.700 0.268 0.000 2.359 354 S HA -0.247 4.214 4.470 -0.015 0.000 0.223 354 S C 1.906 176.663 174.600 0.262 0.000 1.039 354 S CA 1.671 60.058 58.200 0.311 0.000 1.042 354 S CB -1.064 62.287 63.200 0.251 0.000 0.915 354 S HN 0.512 nan 8.310 nan 0.000 0.439 355 I N 1.869 122.617 120.570 0.296 0.000 2.113 355 I HA -0.237 3.924 4.170 -0.015 0.000 0.242 355 I C 2.539 178.743 176.117 0.147 0.000 1.057 355 I CA 1.435 62.917 61.300 0.304 0.000 1.314 355 I CB -0.850 37.419 38.000 0.450 0.000 1.022 355 I HN 0.312 nan 8.210 nan 0.000 0.408 356 L N 0.327 121.565 121.223 0.026 0.000 2.010 356 L HA -0.302 4.029 4.340 -0.015 0.000 0.219 356 L C 2.732 179.559 176.870 -0.072 0.000 1.077 356 L CA 2.228 56.989 54.840 -0.131 0.000 0.773 356 L CB -2.056 39.706 42.059 -0.495 0.000 0.892 356 L HN 0.429 nan 8.230 nan 0.000 0.436 357 H N -1.276 117.888 119.070 0.156 0.000 2.363 357 H HA -0.052 4.496 4.556 -0.014 0.000 0.301 357 H C 2.367 177.690 175.328 -0.008 0.000 1.074 357 H CA 1.064 57.166 56.048 0.091 0.000 1.354 357 H CB -0.263 29.575 29.762 0.126 0.000 1.397 357 H HN 0.322 nan 8.280 nan 0.000 0.516 358 M N 0.250 119.939 119.600 0.148 0.000 2.192 358 M HA -0.139 4.332 4.480 -0.015 0.000 0.259 358 M C 2.474 178.721 176.300 -0.088 0.000 1.071 358 M CA 1.549 56.917 55.300 0.114 0.000 1.082 358 M CB -0.468 32.257 32.600 0.208 0.000 1.373 358 M HN 0.299 nan 8.290 nan 0.000 0.408 359 G N -0.354 108.166 108.800 -0.467 0.000 2.421 359 G HA2 -0.140 3.811 3.960 -0.015 0.000 0.217 359 G HA3 -0.140 3.811 3.960 -0.015 0.000 0.217 359 G C 1.389 175.931 174.900 -0.597 0.000 1.143 359 G CA 0.427 44.719 45.100 -1.347 0.000 0.784 359 G HN 0.343 nan 8.290 nan 0.000 0.541 360 E N 0.289 120.331 120.200 -0.265 0.000 2.371 360 E HA 0.092 4.433 4.350 -0.015 0.000 0.194 360 E C 1.248 177.823 176.600 -0.043 0.000 1.012 360 E CA -0.132 56.189 56.400 -0.132 0.000 0.860 360 E CB -0.188 29.466 29.700 -0.078 0.000 0.811 360 E HN 0.443 nan 8.360 nan 0.000 0.502 361 M N 2.067 121.675 119.600 0.014 0.000 2.734 361 M HA -0.063 4.408 4.480 -0.015 0.000 0.356 361 M C 0.394 176.761 176.300 0.112 0.000 1.790 361 M CA 0.928 56.255 55.300 0.045 0.000 1.231 361 M CB -0.269 32.444 32.600 0.188 0.000 2.102 361 M HN -0.314 nan 8.290 nan 0.000 0.463 362 K N 2.719 123.085 120.400 -0.057 0.000 2.126 362 K HA 0.661 4.972 4.320 -0.015 0.000 0.257 362 K C -0.860 175.630 176.600 -0.183 0.000 1.007 362 K CA -0.101 56.200 56.287 0.023 0.000 0.928 362 K CB 1.073 33.556 32.500 -0.029 0.000 1.013 362 K HN 0.346 nan 8.250 nan 0.000 0.473 372 A N 0.128 122.984 122.820 0.059 0.000 2.597 372 A HA 0.733 5.044 4.320 -0.015 0.000 0.292 372 A C -1.114 176.550 177.584 0.134 0.000 1.057 372 A CA -0.079 52.007 52.037 0.081 0.000 0.674 372 A CB 1.555 20.605 19.000 0.084 0.000 1.278 372 A HN 0.676 nan 8.150 nan 0.000 0.416 373 E N -0.055 120.226 120.200 0.135 0.000 3.055 373 E HA 0.573 4.914 4.350 -0.015 0.000 0.224 373 E C 0.366 177.078 176.600 0.187 0.000 0.662 373 E CA 0.036 56.562 56.400 0.211 0.000 1.557 373 E CB 0.758 30.532 29.700 0.124 0.000 1.888 373 E HN 0.642 nan 8.360 nan 0.000 0.399 374 S N 1.206 116.921 115.700 0.024 0.000 2.571 374 S HA -0.076 4.386 4.470 -0.015 0.000 0.297 374 S C -0.634 173.834 174.600 -0.220 0.000 1.234 374 S CA 0.277 58.310 58.200 -0.278 0.000 1.120 374 S CB -0.450 62.619 63.200 -0.219 0.000 0.923 374 S HN 0.359 nan 8.310 nan 0.000 0.504 375 D N 4.518 124.745 120.400 -0.288 0.000 2.518 375 D HA 0.430 5.061 4.640 -0.015 0.000 0.230 375 D C 0.586 176.783 176.300 -0.173 0.000 1.138 375 D CA 0.543 54.450 54.000 -0.156 0.000 0.964 375 D CB -0.204 40.545 40.800 -0.085 0.000 1.011 375 D HN 0.913 nan 8.370 nan 0.000 0.517 376 G N 1.964 110.675 108.800 -0.148 0.000 2.756 376 G HA2 -0.211 3.741 3.960 -0.015 0.000 0.678 376 G HA3 -0.211 3.741 3.960 -0.015 0.000 0.678 376 G C 0.356 175.154 174.900 -0.171 0.000 1.349 376 G CA 0.041 45.064 45.100 -0.129 0.000 0.847 376 G HN 0.509 nan 8.290 nan 0.000 0.548 377 T N -3.946 110.526 114.554 -0.136 0.000 3.328 377 T HA 0.596 4.938 4.350 -0.015 0.000 0.297 377 T C 2.070 176.710 174.700 -0.100 0.000 0.882 377 T CA 1.454 63.472 62.100 -0.135 0.000 0.906 377 T CB 0.046 68.850 68.868 -0.106 0.000 1.210 377 T HN 2.224 nan 8.240 nan 0.000 0.631 378 A N 1.930 124.693 122.820 -0.095 0.000 1.997 378 A HA -0.160 4.151 4.320 -0.015 0.000 0.221 378 A C 2.092 179.625 177.584 -0.086 0.000 1.172 378 A CA 2.209 54.196 52.037 -0.083 0.000 0.645 378 A CB -0.466 18.488 19.000 -0.077 0.000 0.813 378 A HN 0.560 nan 8.150 nan 0.000 0.454 379 E N -1.229 118.920 120.200 -0.085 0.000 2.206 379 E HA 0.334 4.675 4.350 -0.015 0.000 0.195 379 E C 2.146 178.710 176.600 -0.060 0.000 0.935 379 E CA 0.682 57.034 56.400 -0.080 0.000 0.875 379 E CB -0.409 29.268 29.700 -0.037 0.000 0.841 379 E HN 0.454 nan 8.360 nan 0.000 0.477 380 A N 1.187 123.979 122.820 -0.046 0.000 2.159 380 A HA -0.326 3.985 4.320 -0.015 0.000 0.222 380 A C 1.747 179.331 177.584 0.000 0.000 1.163 380 A CA 1.883 53.913 52.037 -0.012 0.000 0.664 380 A CB -0.562 18.408 19.000 -0.049 0.000 0.803 380 A HN 0.230 nan 8.150 nan 0.000 0.470 381 E N -0.451 119.732 120.200 -0.028 0.000 2.051 381 E HA -0.118 4.223 4.350 -0.015 0.000 0.189 381 E C 1.986 178.595 176.600 0.015 0.000 0.979 381 E CA 1.143 57.536 56.400 -0.011 0.000 0.803 381 E CB -0.116 29.557 29.700 -0.044 0.000 0.761 381 E HN 0.627 nan 8.360 nan 0.000 0.451 382 K N 0.502 120.865 120.400 -0.061 0.000 2.089 382 K HA -0.185 4.126 4.320 -0.015 0.000 0.210 382 K C 2.128 178.768 176.600 0.068 0.000 1.048 382 K CA 1.462 57.701 56.287 -0.080 0.000 0.926 382 K CB -0.267 31.931 32.500 -0.504 0.000 0.714 382 K HN -0.008 nan 8.250 nan 0.000 0.448 383 V N 1.247 121.207 119.914 0.076 0.000 2.407 383 V HA -0.262 3.850 4.120 -0.015 0.000 0.248 383 V C 2.363 178.527 176.094 0.117 0.000 1.055 383 V CA 1.972 64.356 62.300 0.140 0.000 1.049 383 V CB -0.700 31.208 31.823 0.142 0.000 0.662 383 V HN 0.398 nan 8.190 nan 0.000 0.455 384 A N -0.450 122.432 122.820 0.102 0.000 1.908 384 A HA -0.256 4.055 4.320 -0.015 0.000 0.218 384 A C 2.114 179.782 177.584 0.141 0.000 1.181 384 A CA 2.180 54.276 52.037 0.098 0.000 0.627 384 A CB -0.669 18.379 19.000 0.079 0.000 0.818 384 A HN 0.527 nan 8.150 nan 0.000 0.445 385 F N 0.254 120.208 119.950 0.005 0.000 2.128 385 F HA -0.006 4.512 4.527 -0.014 0.000 0.295 385 F C 1.911 177.727 175.800 0.027 0.000 1.100 385 F CA 1.272 59.277 58.000 0.008 0.000 1.260 385 F CB -0.412 38.586 39.000 -0.004 0.000 1.009 385 F HN 0.126 nan 8.300 nan 0.000 0.476 386 L N -0.531 120.694 121.223 0.004 0.000 1.989 386 L HA -0.308 4.023 4.340 -0.015 0.000 0.211 386 L C 2.370 179.186 176.870 -0.089 0.000 1.071 386 L CA 1.541 56.337 54.840 -0.074 0.000 0.749 386 L CB -0.974 41.148 42.059 0.105 0.000 0.890 386 L HN 0.178 nan 8.230 nan 0.000 0.431 387 C N 0.654 119.949 119.300 -0.009 0.000 2.525 387 C HA 0.150 4.602 4.460 -0.015 0.000 0.279 387 C C 1.737 176.700 174.990 -0.044 0.000 1.437 387 C CA 0.374 59.391 59.018 -0.003 0.000 1.704 387 C CB -1.869 25.898 27.740 0.045 0.000 1.672 387 C HN 0.839 nan 8.230 nan 0.000 0.582 388 G N 1.188 109.926 108.800 -0.103 0.000 2.249 388 G HA2 -0.250 3.701 3.960 -0.015 0.000 0.273 388 G HA3 -0.250 3.701 3.960 -0.015 0.000 0.273 388 G C -0.226 174.650 174.900 -0.040 0.000 1.036 388 G CA 0.941 45.977 45.100 -0.108 0.000 0.824 388 G HN 0.545 nan 8.290 nan 0.000 0.504 389 I N -3.086 117.478 120.570 -0.010 0.000 3.595 389 I HA 0.636 4.797 4.170 -0.015 0.000 0.289 389 I C 0.102 176.236 176.117 0.027 0.000 1.145 389 I CA -2.752 58.549 61.300 0.002 0.000 1.071 389 I CB 0.463 38.456 38.000 -0.012 0.000 1.364 389 I HN -0.010 nan 8.210 nan 0.000 0.486 390 N N 0.527 119.241 118.700 0.022 0.000 2.473 390 N HA 0.430 5.161 4.740 -0.015 0.000 0.291 390 N C 0.667 176.194 175.510 0.030 0.000 1.083 390 N CA 0.211 53.280 53.050 0.031 0.000 0.951 390 N CB 2.121 40.620 38.487 0.021 0.000 1.164 390 N HN 0.821 nan 8.380 nan 0.000 0.480 391 A N 3.181 126.021 122.820 0.034 0.000 1.940 391 A HA -0.060 4.251 4.320 -0.015 0.000 0.219 391 A C 1.808 179.399 177.584 0.013 0.000 1.176 391 A CA 2.043 54.094 52.037 0.023 0.000 0.631 391 A CB -1.043 17.965 19.000 0.013 0.000 0.814 391 A HN 0.764 nan 8.150 nan 0.000 0.446 392 G N -0.682 108.124 108.800 0.010 0.000 2.505 392 G HA2 -0.080 3.871 3.960 -0.015 0.000 0.214 392 G HA3 -0.080 3.871 3.960 -0.015 0.000 0.214 392 G C 1.354 176.259 174.900 0.009 0.000 1.237 392 G CA 2.025 47.128 45.100 0.006 0.000 0.802 392 G HN 0.623 nan 8.290 nan 0.000 0.549 393 D N 0.851 121.256 120.400 0.007 0.000 2.230 393 D HA -0.216 4.415 4.640 -0.015 0.000 0.189 393 D C 2.315 178.620 176.300 0.008 0.000 1.006 393 D CA 2.104 56.107 54.000 0.004 0.000 0.853 393 D CB -0.627 40.172 40.800 -0.001 0.000 0.959 393 D HN 0.318 nan 8.370 nan 0.000 0.449 394 L N -0.025 121.204 121.223 0.010 0.000 1.924 394 L HA -0.110 4.221 4.340 -0.015 0.000 0.222 394 L C 2.477 179.370 176.870 0.037 0.000 1.081 394 L CA 2.212 57.062 54.840 0.018 0.000 0.780 394 L CB -0.837 41.236 42.059 0.024 0.000 0.891 394 L HN 0.398 nan 8.230 nan 0.000 0.434 395 L N 0.004 121.251 121.223 0.040 0.000 2.283 395 L HA -0.275 4.057 4.340 -0.015 0.000 0.217 395 L C 2.572 179.475 176.870 0.056 0.000 1.104 395 L CA 2.632 57.502 54.840 0.049 0.000 0.772 395 L CB -1.519 40.545 42.059 0.009 0.000 0.899 395 L HN 0.632 nan 8.230 nan 0.000 0.439 396 K N -0.747 119.675 120.400 0.037 0.000 2.029 396 K HA 0.136 4.448 4.320 -0.015 0.000 0.205 396 K C 2.162 178.785 176.600 0.038 0.000 1.042 396 K CA 1.127 57.435 56.287 0.034 0.000 0.949 396 K CB -1.267 31.244 32.500 0.019 0.000 0.740 396 K HN 0.447 nan 8.250 nan 0.000 0.442 397 A N 0.588 123.424 122.820 0.027 0.000 2.024 397 A HA 0.020 4.331 4.320 -0.015 0.000 0.220 397 A C 2.193 179.796 177.584 0.030 0.000 1.164 397 A CA 1.553 53.602 52.037 0.020 0.000 0.643 397 A CB -0.421 18.581 19.000 0.003 0.000 0.806 397 A HN 0.361 nan 8.150 nan 0.000 0.451 398 L N -1.314 119.941 121.223 0.054 0.000 2.633 398 L HA 0.052 4.383 4.340 -0.015 0.000 0.235 398 L C 1.608 178.520 176.870 0.070 0.000 1.163 398 L CA 1.151 56.033 54.840 0.071 0.000 0.859 398 L CB -0.175 41.962 42.059 0.130 0.000 0.973 398 L HN 0.401 nan 8.230 nan 0.000 0.451 399 L N -2.552 118.712 121.223 0.067 0.000 2.953 399 L HA 0.209 4.540 4.340 -0.015 0.000 0.258 399 L C 0.521 177.413 176.870 0.037 0.000 1.100 399 L CA -0.050 54.827 54.840 0.062 0.000 0.971 399 L CB 0.602 42.718 42.059 0.096 0.000 1.474 399 L HN -0.118 nan 8.230 nan 0.000 0.540 400 K N 1.182 121.600 120.400 0.031 0.000 2.992 400 K HA 0.342 4.653 4.320 -0.015 0.000 0.178 400 K C -2.708 173.901 176.600 0.014 0.000 1.122 400 K CA -1.615 54.684 56.287 0.021 0.000 0.926 400 K CB 1.074 33.586 32.500 0.021 0.000 1.121 400 K HN -0.181 nan 8.250 nan 0.000 0.610 401 P HA 0.285 nan 4.420 nan 0.000 0.284 401 P C -1.190 176.113 177.300 0.004 0.000 1.292 401 P CA -0.693 62.411 63.100 0.006 0.000 0.800 401 P CB 0.958 32.660 31.700 0.003 0.000 1.188 402 K N -0.495 119.906 120.400 0.002 0.000 2.378 402 K HA 0.641 4.952 4.320 -0.015 0.000 0.244 402 K C -1.314 175.287 176.600 0.003 0.000 1.039 402 K CA -0.830 55.458 56.287 0.002 0.000 0.863 402 K CB 1.521 34.022 32.500 0.002 0.000 1.326 402 K HN 0.188 nan 8.250 nan 0.000 0.460 408 E N 0.580 120.782 120.200 0.003 0.000 2.537 408 E HA 0.443 4.785 4.350 -0.015 0.000 0.269 408 E C 0.343 176.945 176.600 0.005 0.000 1.038 408 E CA 0.597 56.999 56.400 0.004 0.000 0.977 408 E CB 0.089 29.792 29.700 0.004 0.000 0.973 408 E HN 1.153 nan 8.360 nan 0.000 0.456 409 M N 2.978 122.581 119.600 0.005 0.000 2.065 409 M HA 0.543 5.014 4.480 -0.015 0.000 0.308 409 M C -0.459 175.843 176.300 0.004 0.000 0.939 409 M CA -1.321 53.982 55.300 0.005 0.000 0.890 409 M CB -0.388 32.214 32.600 0.004 0.000 1.383 409 M HN 0.752 nan 8.290 nan 0.000 0.381 410 V N 2.713 122.630 119.914 0.005 0.000 4.251 410 V HA 0.888 5.000 4.120 -0.015 0.000 0.277 410 V C -0.162 175.935 176.094 0.005 0.000 1.292 410 V CA -0.362 61.941 62.300 0.005 0.000 0.841 410 V CB 0.875 32.701 31.823 0.005 0.000 1.273 410 V HN 0.568 nan 8.190 nan 0.000 0.441 411 T N 0.706 115.263 114.554 0.005 0.000 2.971 411 T HA 0.713 5.055 4.350 -0.015 0.000 0.304 411 T C -0.352 174.352 174.700 0.007 0.000 1.038 411 T CA 0.177 62.281 62.100 0.006 0.000 1.007 411 T CB 1.122 69.994 68.868 0.006 0.000 1.055 411 T HN 1.254 nan 8.240 nan 0.000 0.451 412 K N 0.945 121.349 120.400 0.007 0.000 2.350 412 K HA 0.949 5.260 4.320 -0.015 0.000 0.241 412 K C 0.163 176.767 176.600 0.008 0.000 0.994 412 K CA -0.623 55.667 56.287 0.007 0.000 0.839 412 K CB 1.400 33.903 32.500 0.005 0.000 1.244 412 K HN 0.887 nan 8.250 nan 0.000 0.443 413 G N 1.132 109.937 108.800 0.007 0.000 2.388 413 G HA2 0.561 4.512 3.960 -0.015 0.000 0.330 413 G HA3 0.561 4.512 3.960 -0.015 0.000 0.330 413 G C -0.834 174.068 174.900 0.004 0.000 1.142 413 G CA -0.310 44.795 45.100 0.009 0.000 0.908 413 G HN 0.429 nan 8.290 nan 0.000 0.473 414 Q N 0.204 120.006 119.800 0.003 0.000 2.356 414 Q HA 0.233 4.564 4.340 -0.015 0.000 0.270 414 Q C -0.241 175.751 176.000 -0.013 0.000 1.058 414 Q CA -0.715 55.082 55.803 -0.010 0.000 0.802 414 Q CB 2.707 31.434 28.738 -0.019 0.000 1.303 414 Q HN 0.920 nan 8.270 nan 0.000 0.444 415 N N -0.029 118.657 118.700 -0.025 0.000 2.643 415 N HA 0.197 4.928 4.740 -0.015 0.000 0.305 415 N C 0.985 176.460 175.510 -0.058 0.000 1.283 415 N CA -0.609 52.427 53.050 -0.023 0.000 0.946 415 N CB 0.566 39.044 38.487 -0.014 0.000 1.149 415 N HN 0.400 nan 8.380 nan 0.000 0.600 416 M N 0.065 119.640 119.600 -0.041 0.000 2.195 416 M HA -0.236 4.235 4.480 -0.015 0.000 0.254 416 M C 0.295 176.522 176.300 -0.122 0.000 1.083 416 M CA 2.113 57.374 55.300 -0.065 0.000 1.069 416 M CB -1.036 31.553 32.600 -0.018 0.000 1.364 416 M HN 0.700 nan 8.290 nan 0.000 0.403 417 N N -1.420 117.226 118.700 -0.090 0.000 2.499 417 N HA 0.086 4.817 4.740 -0.015 0.000 0.182 417 N C 1.115 176.568 175.510 -0.094 0.000 1.034 417 N CA 0.540 53.537 53.050 -0.088 0.000 0.882 417 N CB -0.235 38.221 38.487 -0.052 0.000 1.125 417 N HN 0.447 nan 8.380 nan 0.000 0.436 418 Q N 0.152 119.907 119.800 -0.074 0.000 2.585 418 Q HA -0.041 4.290 4.340 -0.015 0.000 0.219 418 Q C 0.494 176.440 176.000 -0.091 0.000 0.984 418 Q CA 0.602 56.368 55.803 -0.061 0.000 0.915 418 Q CB 0.215 28.930 28.738 -0.039 0.000 0.967 418 Q HN 0.218 nan 8.270 nan 0.000 0.530 419 V N -2.016 117.800 119.914 -0.163 0.000 3.103 419 V HA -0.107 4.004 4.120 -0.015 0.000 0.229 419 V C 1.813 177.720 176.094 -0.312 0.000 1.304 419 V CA 0.858 63.004 62.300 -0.257 0.000 1.298 419 V CB 0.530 32.111 31.823 -0.403 0.000 1.093 419 V HN 0.201 nan 8.190 nan 0.000 0.489 420 V N -0.060 119.650 119.914 -0.341 0.000 2.220 420 V HA -0.307 3.804 4.120 -0.015 0.000 0.246 420 V C 1.730 177.780 176.094 -0.073 0.000 1.049 420 V CA 2.789 64.957 62.300 -0.220 0.000 1.003 420 V CB -1.568 30.176 31.823 -0.133 0.000 0.634 420 V HN 0.638 nan 8.190 nan 0.000 0.444 421 N N 0.729 119.393 118.700 -0.059 0.000 2.513 421 N HA -0.113 4.618 4.740 -0.015 0.000 0.187 421 N C 1.806 177.307 175.510 -0.015 0.000 1.056 421 N CA 1.164 54.198 53.050 -0.026 0.000 0.907 421 N CB -0.175 38.293 38.487 -0.032 0.000 0.954 421 N HN 0.550 nan 8.380 nan 0.000 0.445 422 S N -0.063 115.617 115.700 -0.034 0.000 2.446 422 S HA 0.009 4.470 4.470 -0.015 0.000 0.225 422 S C 2.112 176.725 174.600 0.022 0.000 1.016 422 S CA 0.285 58.476 58.200 -0.015 0.000 0.943 422 S CB 0.261 63.438 63.200 -0.038 0.000 0.786 422 S HN 0.116 nan 8.310 nan 0.000 0.508 423 V N 1.574 121.508 119.914 0.033 0.000 2.379 423 V HA 0.022 4.133 4.120 -0.015 0.000 0.243 423 V C 2.683 178.872 176.094 0.159 0.000 1.035 423 V CA 1.585 63.953 62.300 0.113 0.000 1.035 423 V CB -1.550 30.358 31.823 0.142 0.000 0.673 423 V HN 0.509 nan 8.190 nan 0.000 0.457 424 G N 0.557 109.438 108.800 0.135 0.000 2.599 424 G HA2 -0.356 3.595 3.960 -0.015 0.000 0.219 424 G HA3 -0.356 3.595 3.960 -0.015 0.000 0.219 424 G C 1.756 176.680 174.900 0.041 0.000 1.193 424 G CA 1.574 46.707 45.100 0.056 0.000 0.778 424 G HN 0.632 nan 8.290 nan 0.000 0.589 425 A N 0.071 122.916 122.820 0.041 0.000 1.978 425 A HA 0.049 4.360 4.320 -0.015 0.000 0.220 425 A C 2.351 179.991 177.584 0.092 0.000 1.170 425 A CA 1.879 53.947 52.037 0.051 0.000 0.636 425 A CB -0.379 18.643 19.000 0.037 0.000 0.810 425 A HN 0.538 nan 8.150 nan 0.000 0.448 426 L N -0.127 121.163 121.223 0.110 0.000 1.948 426 L HA -0.065 4.266 4.340 -0.015 0.000 0.212 426 L C 2.670 179.657 176.870 0.193 0.000 1.074 426 L CA 2.444 57.369 54.840 0.142 0.000 0.753 426 L CB -1.240 40.901 42.059 0.136 0.000 0.888 426 L HN 0.351 nan 8.230 nan 0.000 0.432 427 A N -0.122 122.828 122.820 0.216 0.000 1.852 427 A HA -0.340 3.971 4.320 -0.015 0.000 0.217 427 A C 2.237 179.961 177.584 0.233 0.000 1.215 427 A CA 2.768 54.961 52.037 0.260 0.000 0.641 427 A CB -0.951 18.227 19.000 0.297 0.000 0.838 427 A HN 0.586 nan 8.150 nan 0.000 0.450 428 K N -0.727 119.757 120.400 0.140 0.000 2.030 428 K HA -0.262 4.050 4.320 -0.015 0.000 0.222 428 K C 2.486 179.194 176.600 0.180 0.000 1.056 428 K CA 1.935 58.298 56.287 0.127 0.000 0.957 428 K CB -0.614 31.919 32.500 0.054 0.000 0.727 428 K HN 0.478 nan 8.250 nan 0.000 0.452 429 S N 0.913 116.708 115.700 0.159 0.000 2.359 429 S HA -0.194 4.267 4.470 -0.015 0.000 0.223 429 S C 1.932 176.641 174.600 0.182 0.000 1.039 429 S CA 1.490 59.788 58.200 0.164 0.000 1.042 429 S CB -0.352 62.960 63.200 0.186 0.000 0.915 429 S HN 0.280 nan 8.310 nan 0.000 0.439 430 L N 0.668 122.038 121.223 0.246 0.000 1.944 430 L HA -0.110 4.221 4.340 -0.015 0.000 0.218 430 L C 2.063 179.033 176.870 0.166 0.000 1.075 430 L CA 2.559 57.531 54.840 0.221 0.000 0.767 430 L CB -1.415 40.819 42.059 0.292 0.000 0.890 430 L HN 0.516 nan 8.230 nan 0.000 0.434 431 Y N 0.195 120.578 120.300 0.139 0.000 2.132 431 Y HA -0.391 4.148 4.550 -0.018 0.000 0.280 431 Y C 2.396 178.333 175.900 0.061 0.000 1.193 431 Y CA 2.289 60.469 58.100 0.133 0.000 1.157 431 Y CB -0.361 38.220 38.460 0.201 0.000 0.966 431 Y HN 0.574 nan 8.280 nan 0.000 0.511 432 D N -0.829 119.705 120.400 0.222 0.000 2.083 432 D HA -0.169 4.462 4.640 -0.015 0.000 0.199 432 D C 2.179 178.508 176.300 0.049 0.000 0.980 432 D CA 1.860 55.934 54.000 0.124 0.000 0.851 432 D CB -0.236 40.628 40.800 0.106 0.000 0.997 432 D HN 0.201 nan 8.370 nan 0.000 0.449 433 R N -0.496 120.005 120.500 0.000 0.000 2.198 433 R HA -0.227 4.105 4.340 -0.015 0.000 0.258 433 R C 2.395 178.639 176.300 -0.094 0.000 1.173 433 R CA 1.807 57.853 56.100 -0.090 0.000 0.991 433 R CB -0.417 29.731 30.300 -0.254 0.000 0.879 433 R HN 0.386 nan 8.270 nan 0.000 0.460 434 M N -0.438 119.099 119.600 -0.106 0.000 2.064 434 M HA -0.153 4.318 4.480 -0.015 0.000 0.260 434 M C 1.881 178.108 176.300 -0.121 0.000 1.073 434 M CA 1.611 56.825 55.300 -0.143 0.000 1.124 434 M CB -0.259 32.199 32.600 -0.237 0.000 1.326 434 M HN 0.090 nan 8.290 nan 0.000 0.410 435 F N 2.084 121.812 119.950 -0.371 0.000 2.063 435 F HA -0.390 4.124 4.527 -0.021 0.000 0.298 435 F C 2.036 177.685 175.800 -0.252 0.000 1.105 435 F CA 2.405 60.165 58.000 -0.400 0.000 1.215 435 F CB -0.824 37.947 39.000 -0.382 0.000 0.972 435 F HN 0.364 nan 8.300 nan 0.000 0.483 436 N N -0.841 117.801 118.700 -0.095 0.000 2.205 436 N HA -0.270 4.461 4.740 -0.015 0.000 0.186 436 N C 1.711 177.116 175.510 -0.174 0.000 1.015 436 N CA 1.603 54.559 53.050 -0.157 0.000 0.862 436 N CB -1.190 37.272 38.487 -0.042 0.000 0.986 436 N HN 0.575 nan 8.380 nan 0.000 0.429 437 W N 2.116 123.257 121.300 -0.265 0.000 2.358 437 W HA 0.052 4.703 4.660 -0.014 0.000 0.303 437 W C 2.159 178.533 176.519 -0.241 0.000 1.208 437 W CA 0.620 57.825 57.345 -0.234 0.000 1.274 437 W CB -0.531 28.795 29.460 -0.224 0.000 1.138 437 W HN -0.030 nan 8.180 nan 0.000 0.515 438 L N -0.298 120.782 121.223 -0.237 0.000 2.079 438 L HA -0.256 4.075 4.340 -0.015 0.000 0.210 438 L C 2.103 178.698 176.870 -0.458 0.000 1.081 438 L CA 1.558 56.186 54.840 -0.352 0.000 0.752 438 L CB -0.794 40.978 42.059 -0.478 0.000 0.896 438 L HN -0.116 nan 8.230 nan 0.000 0.433 439 V N -0.632 118.945 119.914 -0.561 0.000 2.231 439 V HA -0.281 3.830 4.120 -0.015 0.000 0.240 439 V C 2.524 178.405 176.094 -0.355 0.000 1.039 439 V CA 1.857 63.883 62.300 -0.456 0.000 0.998 439 V CB -0.670 30.877 31.823 -0.460 0.000 0.639 439 V HN 0.444 nan 8.190 nan 0.000 0.451 440 R N 0.025 120.313 120.500 -0.353 0.000 2.159 440 R HA -0.325 4.006 4.340 -0.015 0.000 0.249 440 R C 2.471 178.531 176.300 -0.400 0.000 1.136 440 R CA 2.629 58.537 56.100 -0.320 0.000 0.951 440 R CB -0.351 29.769 30.300 -0.299 0.000 0.876 440 R HN 0.373 nan 8.270 nan 0.000 0.440 441 R N 0.078 120.201 120.500 -0.629 0.000 2.091 441 R HA -0.098 4.233 4.340 -0.015 0.000 0.238 441 R C 2.005 178.104 176.300 -0.336 0.000 1.136 441 R CA 1.927 57.611 56.100 -0.693 0.000 0.959 441 R CB -0.746 28.839 30.300 -1.191 0.000 0.856 441 R HN 0.188 nan 8.270 nan 0.000 0.437 442 V N 1.192 120.966 119.914 -0.233 0.000 2.515 442 V HA -0.178 3.933 4.120 -0.015 0.000 0.250 442 V C 1.355 177.373 176.094 -0.127 0.000 1.058 442 V CA 2.109 64.337 62.300 -0.120 0.000 1.064 442 V CB -0.675 31.067 31.823 -0.135 0.000 0.675 442 V HN 0.421 nan 8.190 nan 0.000 0.461 443 N N 0.192 118.796 118.700 -0.160 0.000 2.520 443 N HA -0.083 4.648 4.740 -0.015 0.000 0.185 443 N C 1.781 177.224 175.510 -0.111 0.000 1.068 443 N CA 1.284 54.261 53.050 -0.122 0.000 0.911 443 N CB -0.251 38.161 38.487 -0.124 0.000 0.961 443 N HN 0.614 nan 8.380 nan 0.000 0.446 444 K N -0.231 120.085 120.400 -0.139 0.000 2.067 444 K HA 0.056 4.367 4.320 -0.015 0.000 0.203 444 K C 2.096 178.643 176.600 -0.089 0.000 1.048 444 K CA 1.475 57.688 56.287 -0.124 0.000 0.954 444 K CB -1.319 31.079 32.500 -0.170 0.000 0.737 444 K HN 0.185 nan 8.250 nan 0.000 0.444 445 T N 0.422 114.928 114.554 -0.079 0.000 3.077 445 T HA 0.038 4.380 4.350 -0.015 0.000 0.269 445 T C 0.748 175.428 174.700 -0.034 0.000 1.146 445 T CA 1.182 63.257 62.100 -0.041 0.000 1.091 445 T CB -0.493 68.374 68.868 -0.001 0.000 0.892 445 T HN 0.381 nan 8.240 nan 0.000 0.533 446 L N 0.310 121.506 121.223 -0.044 0.000 3.347 446 L HA 0.469 4.800 4.340 -0.015 0.000 0.306 446 L C 0.682 177.533 176.870 -0.032 0.000 1.301 446 L CA -0.233 54.585 54.840 -0.036 0.000 0.985 446 L CB 0.612 42.645 42.059 -0.043 0.000 1.400 446 L HN -0.023 nan 8.230 nan 0.000 0.601 447 D N 0.087 120.464 120.400 -0.039 0.000 2.340 447 D HA -0.038 4.593 4.640 -0.015 0.000 0.217 447 D C 1.016 177.294 176.300 -0.036 0.000 1.081 447 D CA 0.135 54.111 54.000 -0.040 0.000 0.842 447 D CB 0.441 41.210 40.800 -0.053 0.000 0.934 447 D HN 0.075 nan 8.370 nan 0.000 0.511 448 T N 0.206 114.743 114.554 -0.028 0.000 2.830 448 T HA -0.164 4.178 4.350 -0.015 0.000 0.282 448 T C 0.857 175.540 174.700 -0.028 0.000 1.024 448 T CA 0.298 62.384 62.100 -0.024 0.000 1.144 448 T CB 0.352 69.210 68.868 -0.015 0.000 1.035 448 T HN -0.098 nan 8.240 nan 0.000 0.507 449 K N 3.596 123.979 120.400 -0.027 0.000 2.551 449 K HA 0.431 4.742 4.320 -0.015 0.000 0.204 449 K C 0.850 177.436 176.600 -0.023 0.000 1.033 449 K CA 0.084 56.352 56.287 -0.032 0.000 1.187 449 K CB -0.586 31.896 32.500 -0.029 0.000 0.900 449 K HN 0.734 nan 8.250 nan 0.000 0.499 450 A N 0.872 123.684 122.820 -0.014 0.000 2.583 450 A HA 0.315 4.627 4.320 -0.015 0.000 0.231 450 A C 0.465 178.048 177.584 -0.002 0.000 1.065 450 A CA 0.244 52.281 52.037 0.001 0.000 0.760 450 A CB -0.200 18.809 19.000 0.014 0.000 1.001 450 A HN 0.414 nan 8.150 nan 0.000 0.509 451 K N 1.787 122.194 120.400 0.011 0.000 2.448 451 K HA 0.363 4.674 4.320 -0.015 0.000 0.278 451 K C 0.147 176.760 176.600 0.023 0.000 1.009 451 K CA 0.410 56.703 56.287 0.010 0.000 0.995 451 K CB 0.003 32.516 32.500 0.021 0.000 0.917 451 K HN 0.799 nan 8.250 nan 0.000 0.481 452 R N 2.061 122.562 120.500 0.003 0.000 2.460 452 R HA 0.394 4.725 4.340 -0.015 0.000 0.303 452 R C 0.168 176.510 176.300 0.070 0.000 0.968 452 R CA -0.875 55.239 56.100 0.023 0.000 0.889 452 R CB 1.470 31.701 30.300 -0.114 0.000 1.123 452 R HN 0.843 nan 8.270 nan 0.000 0.455 453 N N 0.269 119.050 118.700 0.136 0.000 2.663 453 N HA 0.051 4.782 4.740 -0.015 0.000 0.250 453 N C -0.374 175.231 175.510 0.157 0.000 1.043 453 N CA 0.705 53.829 53.050 0.124 0.000 0.929 453 N CB 0.449 38.992 38.487 0.094 0.000 1.665 453 N HN 0.487 nan 8.380 nan 0.000 0.484 454 Y N 0.323 120.752 120.300 0.215 0.000 2.634 454 Y HA 0.699 5.240 4.550 -0.015 0.000 0.340 454 Y C -1.189 174.911 175.900 0.334 0.000 1.058 454 Y CA -1.428 56.776 58.100 0.174 0.000 1.081 454 Y CB 0.856 39.359 38.460 0.072 0.000 1.295 454 Y HN 0.113 nan 8.280 nan 0.000 0.487 455 Y N -0.585 119.857 120.300 0.236 0.000 2.576 455 Y HA 0.853 5.392 4.550 -0.019 0.000 0.346 455 Y C -1.019 174.974 175.900 0.154 0.000 1.018 455 Y CA -3.077 55.112 58.100 0.149 0.000 1.050 455 Y CB 1.726 40.190 38.460 0.007 0.000 1.280 455 Y HN 0.600 nan 8.280 nan 0.000 0.474 456 I N 2.684 123.484 120.570 0.383 0.000 2.555 456 I HA 0.376 4.537 4.170 -0.015 0.000 0.275 456 I C 0.075 176.289 176.117 0.161 0.000 1.082 456 I CA -0.654 60.825 61.300 0.297 0.000 1.167 456 I CB 1.181 39.407 38.000 0.378 0.000 1.312 456 I HN 1.002 nan 8.210 nan 0.000 0.493 457 G N 5.751 114.666 108.800 0.192 0.000 2.546 457 G HA2 0.434 4.385 3.960 -0.015 0.000 0.320 457 G HA3 0.434 4.385 3.960 -0.015 0.000 0.320 457 G C 0.013 174.694 174.900 -0.365 0.000 0.984 457 G CA -0.217 44.742 45.100 -0.235 0.000 1.183 457 G HN 0.274 nan 8.290 nan 0.000 0.443 458 V N 2.771 122.509 119.914 -0.294 0.000 2.843 458 V HA 0.250 4.361 4.120 -0.015 0.000 0.305 458 V C 0.247 176.175 176.094 -0.276 0.000 1.065 458 V CA -0.285 61.901 62.300 -0.189 0.000 1.116 458 V CB 1.402 33.166 31.823 -0.099 0.000 0.968 458 V HN 0.609 nan 8.190 nan 0.000 0.487 459 L N 3.800 124.985 121.223 -0.063 0.000 2.406 459 L HA 0.628 4.960 4.340 -0.015 0.000 0.270 459 L C -0.999 175.911 176.870 0.067 0.000 0.982 459 L CA -0.239 54.656 54.840 0.092 0.000 0.843 459 L CB 1.662 43.906 42.059 0.308 0.000 1.225 459 L HN 0.710 nan 8.230 nan 0.000 0.412 460 D N 5.509 125.940 120.400 0.052 0.000 2.472 460 D HA 0.448 5.079 4.640 -0.015 0.000 0.234 460 D C -1.153 175.150 176.300 0.004 0.000 1.088 460 D CA 0.037 54.042 54.000 0.008 0.000 0.882 460 D CB 0.686 41.464 40.800 -0.036 0.000 1.037 460 D HN 0.625 nan 8.370 nan 0.000 0.520 461 I N 2.173 122.749 120.570 0.010 0.000 2.828 461 I HA 0.719 4.880 4.170 -0.015 0.000 0.302 461 I C 0.163 176.278 176.117 -0.003 0.000 1.101 461 I CA -0.921 60.380 61.300 0.002 0.000 1.031 461 I CB 1.908 39.902 38.000 -0.010 0.000 1.231 461 I HN 0.469 nan 8.210 nan 0.000 0.427 462 A N 3.848 126.667 122.820 -0.002 0.000 2.262 462 A HA 0.715 5.026 4.320 -0.015 0.000 0.275 462 A C 0.280 177.877 177.584 0.021 0.000 1.402 462 A CA 0.496 52.534 52.037 0.002 0.000 0.817 462 A CB -0.391 18.613 19.000 0.006 0.000 1.271 462 A HN 0.923 nan 8.150 nan 0.000 0.520 463 G N -3.170 105.644 108.800 0.024 0.000 2.766 463 G HA2 0.475 4.426 3.960 -0.015 0.000 0.288 463 G HA3 0.475 4.426 3.960 -0.015 0.000 0.288 463 G C -0.822 174.120 174.900 0.071 0.000 1.408 463 G CA -0.714 44.429 45.100 0.072 0.000 0.852 463 G HN 0.835 nan 8.290 nan 0.000 0.487 464 F N 1.250 121.222 119.950 0.036 0.000 2.440 464 F HA 0.377 4.888 4.527 -0.027 0.000 0.379 464 F C 0.662 176.393 175.800 -0.116 0.000 1.061 464 F CA 0.827 58.799 58.000 -0.046 0.000 1.026 464 F CB -0.217 38.724 39.000 -0.098 0.000 0.967 464 F HN 0.605 nan 8.300 nan 0.000 0.547 465 E N 7.141 126.954 120.200 -0.646 0.000 2.171 465 E HA 0.568 4.909 4.350 -0.015 0.000 0.271 465 E C -0.903 175.220 176.600 -0.796 0.000 0.916 465 E CA -0.766 55.270 56.400 -0.606 0.000 0.774 465 E CB 1.799 31.248 29.700 -0.419 0.000 1.128 465 E HN 0.773 nan 8.360 nan 0.000 0.403 466 I N 3.727 123.894 120.570 -0.671 0.000 2.698 466 I HA 0.450 4.611 4.170 -0.015 0.000 0.276 466 I C -1.139 174.818 176.117 -0.267 0.000 1.166 466 I CA -0.720 60.309 61.300 -0.452 0.000 1.101 466 I CB -0.246 37.572 38.000 -0.302 0.000 1.305 466 I HN 0.556 nan 8.210 nan 0.000 0.526 467 F N 3.811 123.641 119.950 -0.200 0.000 2.456 467 F HA 0.134 4.651 4.527 -0.017 0.000 0.306 467 F C 1.843 177.595 175.800 -0.081 0.000 1.278 467 F CA -0.064 57.869 58.000 -0.111 0.000 1.264 467 F CB 0.152 39.104 39.000 -0.080 0.000 1.253 467 F HN 0.388 nan 8.300 nan 0.000 0.554 468 D N -0.438 120.089 120.400 0.211 0.000 2.123 468 D HA -0.192 4.439 4.640 -0.015 0.000 0.196 468 D C 0.125 176.532 176.300 0.179 0.000 0.992 468 D CA 1.749 55.831 54.000 0.136 0.000 0.833 468 D CB -0.078 40.798 40.800 0.128 0.000 0.954 468 D HN 0.162 nan 8.370 nan 0.000 0.455 469 F N 1.390 121.357 119.950 0.028 0.000 2.482 469 F HA 0.357 4.876 4.527 -0.012 0.000 0.331 469 F C -0.811 174.966 175.800 -0.038 0.000 1.115 469 F CA -1.072 56.914 58.000 -0.023 0.000 0.955 469 F CB 1.084 40.065 39.000 -0.032 0.000 1.136 469 F HN -0.281 nan 8.300 nan 0.000 0.452 470 N N 4.039 122.282 118.700 -0.761 0.000 2.310 470 N HA 0.377 5.108 4.740 -0.015 0.000 0.292 470 N C -1.162 174.047 175.510 -0.502 0.000 1.049 470 N CA -0.406 52.291 53.050 -0.588 0.000 0.849 470 N CB 2.171 40.337 38.487 -0.535 0.000 1.532 470 N HN 0.666 nan 8.380 nan 0.000 0.479 471 S N 0.866 116.431 115.700 -0.224 0.000 3.137 471 S HA 0.382 4.843 4.470 -0.015 0.000 0.292 471 S C 0.721 175.426 174.600 0.174 0.000 1.041 471 S CA -0.496 57.798 58.200 0.158 0.000 0.956 471 S CB 0.269 63.490 63.200 0.034 0.000 1.360 471 S HN 0.321 nan 8.310 nan 0.000 0.690 472 F N 2.220 121.851 119.950 -0.533 0.000 2.202 472 F HA 0.058 4.582 4.527 -0.006 0.000 0.301 472 F C 1.994 177.495 175.800 -0.499 0.000 1.082 472 F CA 2.257 59.531 58.000 -1.210 0.000 1.313 472 F CB -0.920 36.979 39.000 -1.834 0.000 1.024 472 F HN 0.654 nan 8.300 nan 0.000 0.495 473 E N 0.388 120.287 120.200 -0.501 0.000 2.021 473 E HA -0.269 4.072 4.350 -0.015 0.000 0.200 473 E C 2.141 178.532 176.600 -0.348 0.000 1.015 473 E CA 2.081 58.211 56.400 -0.450 0.000 0.824 473 E CB -0.537 29.005 29.700 -0.263 0.000 0.762 473 E HN 0.408 nan 8.360 nan 0.000 0.454 474 Q N -0.016 119.688 119.800 -0.161 0.000 2.084 474 Q HA -0.062 4.269 4.340 -0.015 0.000 0.202 474 Q C 2.053 178.139 176.000 0.143 0.000 0.978 474 Q CA 0.665 56.472 55.803 0.006 0.000 0.844 474 Q CB -0.395 28.372 28.738 0.048 0.000 0.898 474 Q HN 0.203 nan 8.270 nan 0.000 0.426 475 L N -0.058 121.311 121.223 0.242 0.000 2.129 475 L HA -0.255 4.076 4.340 -0.015 0.000 0.212 475 L C 1.715 178.662 176.870 0.128 0.000 1.087 475 L CA 1.583 56.511 54.840 0.146 0.000 0.757 475 L CB -0.753 41.242 42.059 -0.108 0.000 0.896 475 L HN 0.397 nan 8.230 nan 0.000 0.434 476 C N -0.092 119.135 119.300 -0.123 0.000 2.667 476 C HA -0.173 4.278 4.460 -0.015 0.000 0.287 476 C C 2.733 177.787 174.990 0.106 0.000 1.256 476 C CA 0.499 59.489 59.018 -0.046 0.000 1.738 476 C CB -0.771 26.715 27.740 -0.423 0.000 2.113 476 C HN 0.503 nan 8.230 nan 0.000 0.470 477 I N 2.212 122.777 120.570 -0.009 0.000 2.147 477 I HA -0.282 3.879 4.170 -0.015 0.000 0.245 477 I C 1.919 178.086 176.117 0.083 0.000 1.059 477 I CA 2.176 63.494 61.300 0.030 0.000 1.320 477 I CB -1.910 36.086 38.000 -0.006 0.000 1.021 477 I HN 0.485 nan 8.210 nan 0.000 0.415 478 N N 0.541 119.291 118.700 0.085 0.000 2.062 478 N HA -0.215 4.516 4.740 -0.015 0.000 0.191 478 N C 1.870 177.562 175.510 0.303 0.000 1.042 478 N CA 1.343 54.460 53.050 0.111 0.000 0.845 478 N CB -0.951 37.464 38.487 -0.120 0.000 1.024 478 N HN 0.432 nan 8.380 nan 0.000 0.424 479 Y N 2.044 122.524 120.300 0.299 0.000 2.096 479 Y HA -0.302 4.244 4.550 -0.008 0.000 0.278 479 Y C 2.025 178.068 175.900 0.240 0.000 1.192 479 Y CA 2.041 60.340 58.100 0.331 0.000 1.143 479 Y CB -1.116 37.507 38.460 0.271 0.000 0.963 479 Y HN 0.039 nan 8.280 nan 0.000 0.505 480 T N 0.649 115.179 114.554 -0.040 0.000 2.635 480 T HA -0.285 4.056 4.350 -0.015 0.000 0.267 480 T C 1.627 176.263 174.700 -0.108 0.000 1.040 480 T CA 2.095 64.083 62.100 -0.186 0.000 1.156 480 T CB -0.652 68.226 68.868 0.017 0.000 0.863 480 T HN 0.562 nan 8.240 nan 0.000 0.430 481 N N 0.258 118.993 118.700 0.059 0.000 2.223 481 N HA -0.104 4.627 4.740 -0.015 0.000 0.185 481 N C 1.970 177.540 175.510 0.100 0.000 1.016 481 N CA 0.725 53.843 53.050 0.114 0.000 0.863 481 N CB -0.095 38.561 38.487 0.281 0.000 0.983 481 N HN 0.332 nan 8.380 nan 0.000 0.429 482 E N 1.276 121.605 120.200 0.214 0.000 2.070 482 E HA -0.131 4.210 4.350 -0.015 0.000 0.197 482 E C 1.755 178.401 176.600 0.077 0.000 1.004 482 E CA 1.249 57.797 56.400 0.246 0.000 0.805 482 E CB 0.156 30.093 29.700 0.395 0.000 0.744 482 E HN 0.154 nan 8.360 nan 0.000 0.451 483 R N -0.257 120.232 120.500 -0.019 0.000 2.115 483 R HA -0.025 4.306 4.340 -0.015 0.000 0.230 483 R C 2.414 178.753 176.300 0.066 0.000 1.111 483 R CA 0.774 56.864 56.100 -0.015 0.000 0.976 483 R CB -0.463 29.746 30.300 -0.153 0.000 0.870 483 R HN 0.334 nan 8.270 nan 0.000 0.445 484 L N 0.419 121.660 121.223 0.030 0.000 2.156 484 L HA -0.070 4.261 4.340 -0.015 0.000 0.208 484 L C 2.351 179.316 176.870 0.157 0.000 1.095 484 L CA 0.812 55.722 54.840 0.116 0.000 0.770 484 L CB -0.372 41.719 42.059 0.054 0.000 0.914 484 L HN 0.073 nan 8.230 nan 0.000 0.439 485 Q N 0.056 119.832 119.800 -0.039 0.000 2.488 485 Q HA -0.189 4.142 4.340 -0.015 0.000 0.211 485 Q C 1.839 177.873 176.000 0.055 0.000 0.967 485 Q CA 1.022 56.720 55.803 -0.174 0.000 0.926 485 Q CB 0.242 28.529 28.738 -0.752 0.000 0.992 485 Q HN 0.576 nan 8.270 nan 0.000 0.506 486 Q N -1.205 118.695 119.800 0.167 0.000 2.391 486 Q HA -0.028 4.303 4.340 -0.015 0.000 0.211 486 Q C 1.499 177.733 176.000 0.391 0.000 0.908 486 Q CA -0.019 55.926 55.803 0.237 0.000 0.920 486 Q CB 0.195 29.060 28.738 0.212 0.000 1.056 486 Q HN 0.249 nan 8.270 nan 0.000 0.523 487 F N 0.421 120.531 119.950 0.267 0.000 2.163 487 F HA -0.088 4.424 4.527 -0.025 0.000 0.297 487 F C 1.638 177.621 175.800 0.305 0.000 1.094 487 F CA 1.012 59.155 58.000 0.238 0.000 1.290 487 F CB -0.508 38.592 39.000 0.166 0.000 1.017 487 F HN 0.163 nan 8.300 nan 0.000 0.483 488 F N 1.518 121.537 119.950 0.116 0.000 2.102 488 F HA -0.222 4.304 4.527 -0.001 0.000 0.298 488 F C 2.161 177.926 175.800 -0.059 0.000 1.105 488 F CA 2.054 59.998 58.000 -0.095 0.000 1.239 488 F CB -0.691 38.186 39.000 -0.205 0.000 0.991 488 F HN -0.084 nan 8.300 nan 0.000 0.474 489 N N -0.276 118.475 118.700 0.086 0.000 2.223 489 N HA -0.236 4.496 4.740 -0.015 0.000 0.185 489 N C 2.019 177.558 175.510 0.049 0.000 1.016 489 N CA 1.438 54.511 53.050 0.037 0.000 0.863 489 N CB -1.018 37.553 38.487 0.141 0.000 0.983 489 N HN 0.554 nan 8.380 nan 0.000 0.429 490 H N 0.644 119.721 119.070 0.013 0.000 2.293 490 H HA -0.097 4.449 4.556 -0.017 0.000 0.300 490 H C 1.437 176.697 175.328 -0.113 0.000 1.082 490 H CA 1.408 57.465 56.048 0.015 0.000 1.308 490 H CB -0.276 29.529 29.762 0.072 0.000 1.375 490 H HN 0.282 nan 8.280 nan 0.000 0.495 491 H N -0.330 118.579 119.070 -0.268 0.000 2.489 491 H HA -0.069 4.479 4.556 -0.013 0.000 0.293 491 H C 2.152 177.244 175.328 -0.395 0.000 1.066 491 H CA 1.136 56.959 56.048 -0.374 0.000 1.305 491 H CB 0.394 29.925 29.762 -0.386 0.000 1.386 491 H HN 0.380 nan 8.280 nan 0.000 0.551 492 M N -1.014 118.380 119.600 -0.342 0.000 2.334 492 M HA -0.078 4.393 4.480 -0.015 0.000 0.266 492 M C 2.087 178.267 176.300 -0.200 0.000 1.082 492 M CA 0.483 55.596 55.300 -0.312 0.000 1.141 492 M CB -1.105 31.248 32.600 -0.411 0.000 1.380 492 M HN 0.125 nan 8.290 nan 0.000 0.440 493 F N 1.366 121.167 119.950 -0.249 0.000 2.451 493 F HA -0.133 4.384 4.527 -0.017 0.000 0.299 493 F C 1.774 177.310 175.800 -0.440 0.000 1.101 493 F CA 0.845 58.635 58.000 -0.349 0.000 1.436 493 F CB -0.094 38.787 39.000 -0.198 0.000 1.074 493 F HN -0.050 nan 8.300 nan 0.000 0.553 494 I N 0.635 120.899 120.570 -0.510 0.000 2.233 494 I HA -0.234 3.928 4.170 -0.015 0.000 0.243 494 I C 2.248 178.085 176.117 -0.467 0.000 1.093 494 I CA 1.245 62.233 61.300 -0.521 0.000 1.380 494 I CB -1.349 36.411 38.000 -0.400 0.000 1.067 494 I HN 0.214 nan 8.210 nan 0.000 0.413 495 L N -0.046 120.971 121.223 -0.344 0.000 2.291 495 L HA -0.121 4.211 4.340 -0.015 0.000 0.214 495 L C 2.372 179.027 176.870 -0.358 0.000 1.120 495 L CA 0.675 55.364 54.840 -0.252 0.000 0.799 495 L CB -0.733 41.247 42.059 -0.133 0.000 0.925 495 L HN 0.179 nan 8.230 nan 0.000 0.446 496 E N 1.312 121.166 120.200 -0.578 0.000 2.023 496 E HA -0.262 4.079 4.350 -0.015 0.000 0.196 496 E C 2.211 178.225 176.600 -0.977 0.000 1.003 496 E CA 1.655 57.563 56.400 -0.820 0.000 0.809 496 E CB -0.154 28.785 29.700 -1.269 0.000 0.755 496 E HN 0.448 nan 8.360 nan 0.000 0.449 497 Q N -0.921 118.229 119.800 -1.083 0.000 2.297 497 Q HA -0.167 4.164 4.340 -0.015 0.000 0.208 497 Q C 1.947 177.724 176.000 -0.371 0.000 0.981 497 Q CA 1.525 56.858 55.803 -0.783 0.000 0.876 497 Q CB -0.177 28.151 28.738 -0.683 0.000 0.921 497 Q HN 0.569 nan 8.270 nan 0.000 0.446 498 E N 1.256 121.266 120.200 -0.317 0.000 2.489 498 E HA -0.062 4.279 4.350 -0.015 0.000 0.193 498 E C 1.234 177.790 176.600 -0.073 0.000 1.057 498 E CA 0.413 56.718 56.400 -0.158 0.000 0.866 498 E CB 0.013 29.631 29.700 -0.138 0.000 0.916 498 E HN 0.485 nan 8.360 nan 0.000 0.500 499 E N -1.787 118.387 120.200 -0.043 0.000 2.399 499 E HA 0.072 4.413 4.350 -0.015 0.000 0.205 499 E C 0.909 177.597 176.600 0.146 0.000 0.906 499 E CA -0.132 56.324 56.400 0.094 0.000 0.998 499 E CB 0.292 30.095 29.700 0.171 0.000 1.002 499 E HN 0.527 nan 8.360 nan 0.000 0.501 500 Y N 1.201 121.383 120.300 -0.197 0.000 2.497 500 Y HA -0.035 4.507 4.550 -0.013 0.000 0.292 500 Y C 1.565 177.331 175.900 -0.222 0.000 1.137 500 Y CA 0.901 58.825 58.100 -0.293 0.000 1.285 500 Y CB 0.183 38.483 38.460 -0.266 0.000 0.991 500 Y HN -0.020 nan 8.280 nan 0.000 0.556 501 K N -0.813 119.589 120.400 0.002 0.000 2.435 501 K HA 0.055 4.366 4.320 -0.015 0.000 0.199 501 K C 1.958 178.543 176.600 -0.025 0.000 1.153 501 K CA 0.052 56.321 56.287 -0.029 0.000 0.974 501 K CB 0.352 32.833 32.500 -0.031 0.000 0.997 501 K HN -0.001 nan 8.250 nan 0.000 0.547 502 K N 1.919 122.314 120.400 -0.007 0.000 2.097 502 K HA -0.113 4.198 4.320 -0.015 0.000 0.205 502 K C 0.988 177.598 176.600 0.016 0.000 1.050 502 K CA 1.883 58.175 56.287 0.007 0.000 0.938 502 K CB 0.211 32.724 32.500 0.022 0.000 0.718 502 K HN 0.102 nan 8.250 nan 0.000 0.442 503 E N 0.785 120.998 120.200 0.021 0.000 2.723 503 E HA 0.237 4.578 4.350 -0.015 0.000 0.219 503 E C 0.230 176.809 176.600 -0.035 0.000 1.060 503 E CA 0.036 56.459 56.400 0.038 0.000 1.291 503 E CB -0.216 29.555 29.700 0.119 0.000 1.265 503 E HN 0.496 nan 8.360 nan 0.000 0.438 504 G N 1.142 109.915 108.800 -0.044 0.000 2.020 504 G HA2 -0.133 3.818 3.960 -0.015 0.000 0.237 504 G HA3 -0.133 3.818 3.960 -0.015 0.000 0.237 504 G C 0.247 175.068 174.900 -0.131 0.000 0.652 504 G CA 0.967 46.025 45.100 -0.071 0.000 1.014 504 G HN 0.654 nan 8.290 nan 0.000 0.383 505 I N 0.338 120.794 120.570 -0.189 0.000 2.686 505 I HA 0.587 4.749 4.170 -0.015 0.000 0.295 505 I C 0.308 176.353 176.117 -0.119 0.000 1.114 505 I CA -1.106 60.052 61.300 -0.237 0.000 1.038 505 I CB 2.270 39.997 38.000 -0.454 0.000 1.238 505 I HN 0.366 nan 8.210 nan 0.000 0.420 506 A N 4.937 127.721 122.820 -0.060 0.000 2.301 506 A HA 0.443 4.754 4.320 -0.015 0.000 0.312 506 A C -0.490 177.184 177.584 0.150 0.000 1.182 506 A CA -0.253 51.819 52.037 0.059 0.000 0.826 506 A CB 0.424 19.442 19.000 0.030 0.000 1.134 506 A HN 1.045 nan 8.150 nan 0.000 0.501 507 W N 2.103 123.376 121.300 -0.045 0.000 1.419 507 W HA 0.217 4.870 4.660 -0.013 0.000 0.230 507 W C -0.343 176.202 176.519 0.043 0.000 0.820 507 W CA -0.334 56.947 57.345 -0.107 0.000 1.448 507 W CB 0.585 29.797 29.460 -0.413 0.000 0.919 507 W HN 0.699 nan 8.180 nan 0.000 0.431 508 E N 1.689 122.101 120.200 0.352 0.000 2.026 508 E HA -0.073 4.269 4.350 -0.015 0.000 0.249 508 E C 0.298 176.999 176.600 0.168 0.000 1.273 508 E CA 0.650 57.170 56.400 0.200 0.000 0.991 508 E CB -0.892 28.901 29.700 0.155 0.000 1.076 508 E HN 0.317 nan 8.360 nan 0.000 0.438 509 F N 3.916 123.901 119.950 0.059 0.000 2.881 509 F HA 0.328 4.846 4.527 -0.015 0.000 0.343 509 F C 0.637 176.416 175.800 -0.034 0.000 1.233 509 F CA -0.914 57.113 58.000 0.044 0.000 1.262 509 F CB -0.801 38.247 39.000 0.080 0.000 0.980 509 F HN 0.224 nan 8.300 nan 0.000 0.506 510 I N 1.516 122.080 120.570 -0.010 0.000 2.880 510 I HA 0.308 4.469 4.170 -0.015 0.000 0.296 510 I C 0.960 177.050 176.117 -0.046 0.000 1.220 510 I CA 1.899 63.172 61.300 -0.044 0.000 1.435 510 I CB 0.635 38.595 38.000 -0.067 0.000 1.339 510 I HN 0.559 nan 8.210 nan 0.000 0.583 511 D N 4.150 124.515 120.400 -0.058 0.000 2.319 511 D HA 0.317 4.948 4.640 -0.015 0.000 0.406 511 D C 0.250 176.527 176.300 -0.038 0.000 1.087 511 D CA 0.149 54.130 54.000 -0.031 0.000 0.945 511 D CB -0.381 40.417 40.800 -0.003 0.000 1.430 511 D HN 0.416 nan 8.370 nan 0.000 0.487 512 F N -0.155 119.760 119.950 -0.059 0.000 2.399 512 F HA 0.615 5.133 4.527 -0.015 0.000 0.313 512 F C 2.150 177.901 175.800 -0.082 0.000 1.202 512 F CA -0.045 57.920 58.000 -0.058 0.000 1.192 512 F CB 0.468 39.448 39.000 -0.033 0.000 1.256 512 F HN 1.141 nan 8.300 nan 0.000 0.558 513 G N -2.021 106.750 108.800 -0.049 0.000 2.254 513 G HA2 -0.057 3.894 3.960 -0.015 0.000 0.225 513 G HA3 -0.057 3.894 3.960 -0.015 0.000 0.225 513 G C 1.421 176.320 174.900 -0.000 0.000 1.003 513 G CA 1.785 46.867 45.100 -0.030 0.000 0.622 513 G HN 2.434 nan 8.290 nan 0.000 0.507 514 M N 0.407 120.005 119.600 -0.003 0.000 2.089 514 M HA -0.029 4.442 4.480 -0.015 0.000 0.257 514 M C 2.015 178.332 176.300 0.028 0.000 1.071 514 M CA 3.438 58.746 55.300 0.013 0.000 1.096 514 M CB -1.704 30.902 32.600 0.009 0.000 1.330 514 M HN 0.307 nan 8.290 nan 0.000 0.403 515 D N -0.068 120.347 120.400 0.026 0.000 2.271 515 D HA -0.039 4.592 4.640 -0.015 0.000 0.207 515 D C 1.648 177.984 176.300 0.061 0.000 0.983 515 D CA 1.473 55.496 54.000 0.038 0.000 0.878 515 D CB -0.185 40.632 40.800 0.029 0.000 0.920 515 D HN 0.571 nan 8.370 nan 0.000 0.479 516 L N -0.061 121.201 121.223 0.064 0.000 2.307 516 L HA 0.046 4.377 4.340 -0.015 0.000 0.211 516 L C 1.771 178.703 176.870 0.105 0.000 1.099 516 L CA 1.125 56.023 54.840 0.096 0.000 0.816 516 L CB 0.020 42.133 42.059 0.089 0.000 0.952 516 L HN -0.128 nan 8.230 nan 0.000 0.455 517 Q N -1.122 118.726 119.800 0.079 0.000 2.245 517 Q HA -0.114 4.217 4.340 -0.015 0.000 0.201 517 Q C 2.096 178.145 176.000 0.080 0.000 0.955 517 Q CA 1.231 57.081 55.803 0.079 0.000 0.870 517 Q CB -0.045 28.725 28.738 0.054 0.000 0.945 517 Q HN 0.483 nan 8.270 nan 0.000 0.461 518 M N -0.122 119.520 119.600 0.070 0.000 2.110 518 M HA -0.222 4.249 4.480 -0.015 0.000 0.257 518 M C 2.328 178.670 176.300 0.071 0.000 1.071 518 M CA 1.733 57.071 55.300 0.063 0.000 1.096 518 M CB -0.787 31.846 32.600 0.055 0.000 1.300 518 M HN 0.289 nan 8.290 nan 0.000 0.411 519 C N -0.238 119.116 119.300 0.090 0.000 2.450 519 C HA -0.032 4.419 4.460 -0.015 0.000 0.279 519 C C 2.629 177.703 174.990 0.140 0.000 1.335 519 C CA 0.399 59.475 59.018 0.096 0.000 1.749 519 C CB -1.191 26.618 27.740 0.115 0.000 1.963 519 C HN 0.646 nan 8.230 nan 0.000 0.501 520 I N 1.172 121.842 120.570 0.167 0.000 2.179 520 I HA -0.130 4.031 4.170 -0.015 0.000 0.242 520 I C 2.248 178.466 176.117 0.169 0.000 1.088 520 I CA 1.840 63.267 61.300 0.211 0.000 1.357 520 I CB -1.356 36.745 38.000 0.169 0.000 1.051 520 I HN 0.408 nan 8.210 nan 0.000 0.409 521 D N 0.647 121.111 120.400 0.107 0.000 2.084 521 D HA -0.167 4.464 4.640 -0.015 0.000 0.196 521 D C 2.085 178.413 176.300 0.046 0.000 0.985 521 D CA 0.895 54.941 54.000 0.077 0.000 0.826 521 D CB -0.457 40.380 40.800 0.063 0.000 0.978 521 D HN 0.215 nan 8.370 nan 0.000 0.456 522 L N 0.249 121.486 121.223 0.023 0.000 2.551 522 L HA -0.098 4.234 4.340 -0.015 0.000 0.230 522 L C 1.745 178.538 176.870 -0.129 0.000 1.163 522 L CA 1.242 56.041 54.840 -0.068 0.000 0.826 522 L CB -0.476 41.538 42.059 -0.075 0.000 0.943 522 L HN 0.098 nan 8.230 nan 0.000 0.452 523 I N -1.740 118.805 120.570 -0.040 0.000 4.403 523 I HA 0.255 4.416 4.170 -0.015 0.000 0.331 523 I C 1.910 177.897 176.117 -0.217 0.000 1.327 523 I CA 0.819 62.047 61.300 -0.120 0.000 1.175 523 I CB -0.221 37.774 38.000 -0.007 0.000 1.165 523 I HN 0.526 nan 8.210 nan 0.000 0.413 524 E N 0.657 120.836 120.200 -0.035 0.000 2.555 524 E HA 0.139 4.480 4.350 -0.015 0.000 0.209 524 E C 0.947 177.573 176.600 0.042 0.000 0.847 524 E CA 0.053 56.452 56.400 -0.002 0.000 1.438 524 E CB -0.352 29.470 29.700 0.203 0.000 1.420 524 E HN 0.643 nan 8.360 nan 0.000 0.755 525 K N 1.624 122.056 120.400 0.053 0.000 2.336 525 K HA 0.129 4.441 4.320 -0.015 0.000 0.262 525 K C -1.824 174.807 176.600 0.051 0.000 0.992 525 K CA -0.824 55.495 56.287 0.053 0.000 0.927 525 K CB 0.270 32.803 32.500 0.054 0.000 0.956 525 K HN -0.305 nan 8.250 nan 0.000 0.495 526 P HA -0.262 nan 4.420 nan 0.000 0.216 526 P C 1.154 178.497 177.300 0.073 0.000 1.151 526 P CA 1.877 65.011 63.100 0.057 0.000 0.953 526 P CB -0.024 31.704 31.700 0.047 0.000 0.789 527 M N -1.263 118.387 119.600 0.083 0.000 2.686 527 M HA 0.070 4.542 4.480 -0.015 0.000 0.246 527 M C 1.144 177.586 176.300 0.236 0.000 1.096 527 M CA 0.563 55.937 55.300 0.123 0.000 1.076 527 M CB -1.361 31.284 32.600 0.075 0.000 1.504 527 M HN -0.080 nan 8.290 nan 0.000 0.524 528 G N 0.902 109.777 108.800 0.124 0.000 2.539 528 G HA2 0.334 4.286 3.960 -0.015 0.000 0.258 528 G HA3 0.334 4.286 3.960 -0.015 0.000 0.258 528 G C 1.239 176.094 174.900 -0.076 0.000 1.202 528 G CA -0.693 44.385 45.100 -0.037 0.000 0.851 528 G HN 0.399 nan 8.290 nan 0.000 0.556 529 I N -0.404 120.004 120.570 -0.270 0.000 2.730 529 I HA -0.130 4.031 4.170 -0.015 0.000 0.266 529 I C 1.312 177.487 176.117 0.097 0.000 1.228 529 I CA 1.064 62.314 61.300 -0.083 0.000 1.445 529 I CB -0.895 36.980 38.000 -0.209 0.000 1.102 529 I HN 0.251 nan 8.210 nan 0.000 0.464 530 L N 0.757 121.986 121.223 0.010 0.000 2.558 530 L HA 0.124 4.456 4.340 -0.015 0.000 0.225 530 L C 2.516 179.412 176.870 0.043 0.000 1.128 530 L CA 1.325 56.177 54.840 0.021 0.000 0.868 530 L CB -0.714 41.289 42.059 -0.094 0.000 1.006 530 L HN 0.473 nan 8.230 nan 0.000 0.454 531 S N -0.609 115.130 115.700 0.065 0.000 2.549 531 S HA 0.193 4.654 4.470 -0.015 0.000 0.225 531 S C 1.851 176.509 174.600 0.096 0.000 1.039 531 S CA -0.137 58.109 58.200 0.077 0.000 0.942 531 S CB 0.407 63.654 63.200 0.078 0.000 0.881 531 S HN 0.080 nan 8.310 nan 0.000 0.503 532 I N 1.625 122.279 120.570 0.141 0.000 2.162 532 I HA -0.129 4.033 4.170 -0.015 0.000 0.238 532 I C 2.868 179.062 176.117 0.127 0.000 1.076 532 I CA 1.283 62.712 61.300 0.217 0.000 1.353 532 I CB -0.644 37.569 38.000 0.354 0.000 1.063 532 I HN 0.322 nan 8.210 nan 0.000 0.408 533 L N 0.648 121.872 121.223 0.002 0.000 2.651 533 L HA -0.072 4.260 4.340 -0.015 0.000 0.236 533 L C 2.319 179.000 176.870 -0.314 0.000 1.173 533 L CA 2.387 56.850 54.840 -0.628 0.000 0.843 533 L CB -2.420 39.255 42.059 -0.641 0.000 0.964 533 L HN 0.530 nan 8.230 nan 0.000 0.454 534 E N 0.336 120.471 120.200 -0.107 0.000 2.372 534 E HA 0.078 4.419 4.350 -0.015 0.000 0.201 534 E C 1.882 178.489 176.600 0.012 0.000 0.938 534 E CA 0.792 57.158 56.400 -0.056 0.000 0.944 534 E CB -0.026 29.684 29.700 0.018 0.000 0.937 534 E HN 0.987 nan 8.360 nan 0.000 0.495 535 E N -0.501 119.736 120.200 0.063 0.000 2.431 535 E HA 0.239 4.580 4.350 -0.015 0.000 0.200 535 E C 1.541 178.223 176.600 0.136 0.000 0.995 535 E CA 0.975 57.448 56.400 0.123 0.000 0.915 535 E CB 0.347 30.130 29.700 0.139 0.000 0.930 535 E HN 0.366 nan 8.360 nan 0.000 0.496 536 E N 0.960 121.209 120.200 0.082 0.000 2.403 536 E HA 0.205 4.546 4.350 -0.015 0.000 0.187 536 E C 1.378 177.981 176.600 0.005 0.000 1.073 536 E CA 0.608 57.058 56.400 0.084 0.000 0.888 536 E CB -0.851 28.910 29.700 0.102 0.000 1.035 536 E HN 0.608 nan 8.360 nan 0.000 0.471 537 C N -3.464 115.831 119.300 -0.009 0.000 3.757 537 C HA 0.527 4.978 4.460 -0.015 0.000 0.358 537 C C 2.226 177.209 174.990 -0.012 0.000 1.484 537 C CA 0.527 59.510 59.018 -0.058 0.000 1.862 537 C CB -0.500 27.149 27.740 -0.152 0.000 2.654 537 C HN 0.550 nan 8.230 nan 0.000 0.699 538 M N 0.415 120.047 119.600 0.052 0.000 2.276 538 M HA 0.342 4.813 4.480 -0.015 0.000 0.262 538 M C 0.437 176.804 176.300 0.110 0.000 1.098 538 M CA 0.711 56.056 55.300 0.075 0.000 1.167 538 M CB -0.165 32.518 32.600 0.138 0.000 1.337 538 M HN 0.300 nan 8.290 nan 0.000 0.446 539 F N 3.631 123.593 119.950 0.020 0.000 2.580 539 F HA 0.024 4.542 4.527 -0.015 0.000 0.398 539 F C -1.477 174.327 175.800 0.006 0.000 1.023 539 F CA -0.990 57.022 58.000 0.019 0.000 1.188 539 F CB 0.493 39.506 39.000 0.021 0.000 1.005 539 F HN 0.193 nan 8.300 nan 0.000 0.546 540 P HA -0.011 nan 4.420 nan 0.000 0.269 540 P C 0.259 177.681 177.300 0.203 0.000 1.461 540 P CA 0.770 63.971 63.100 0.168 0.000 0.809 540 P CB -0.114 31.628 31.700 0.071 0.000 1.503 541 K N 0.200 120.763 120.400 0.271 0.000 2.190 541 K HA 0.434 4.745 4.320 -0.015 0.000 0.202 541 K C 1.441 178.075 176.600 0.057 0.000 1.045 541 K CA 0.960 57.324 56.287 0.128 0.000 0.976 541 K CB -1.227 31.288 32.500 0.025 0.000 0.849 541 K HN 0.142 nan 8.250 nan 0.000 0.468 542 A N 1.760 124.609 122.820 0.048 0.000 2.640 542 A HA -0.161 4.150 4.320 -0.015 0.000 0.300 542 A C -0.097 177.490 177.584 0.005 0.000 1.499 542 A CA 1.075 53.121 52.037 0.015 0.000 0.759 542 A CB -2.122 16.887 19.000 0.016 0.000 1.048 542 A HN 0.616 nan 8.150 nan 0.000 0.450 543 D N -0.696 119.702 120.400 -0.004 0.000 2.350 543 D HA 0.350 4.981 4.640 -0.015 0.000 0.245 543 D C 0.431 176.735 176.300 0.007 0.000 1.036 543 D CA -0.487 53.512 54.000 -0.001 0.000 0.848 543 D CB 1.028 41.822 40.800 -0.010 0.000 1.307 543 D HN 0.209 nan 8.370 nan 0.000 0.469 544 D N 2.399 122.807 120.400 0.014 0.000 2.417 544 D HA -0.145 4.487 4.640 -0.015 0.000 0.225 544 D C 1.308 177.584 176.300 -0.040 0.000 0.983 544 D CA 0.812 54.820 54.000 0.014 0.000 0.949 544 D CB 0.111 40.916 40.800 0.008 0.000 0.879 544 D HN 0.503 nan 8.370 nan 0.000 0.520 545 K N -0.147 120.221 120.400 -0.052 0.000 2.399 545 K HA 0.169 4.481 4.320 -0.015 0.000 0.196 545 K C 2.021 178.568 176.600 -0.088 0.000 1.103 545 K CA 0.175 56.405 56.287 -0.094 0.000 0.986 545 K CB -0.361 32.090 32.500 -0.081 0.000 0.952 545 K HN 0.055 nan 8.250 nan 0.000 0.541 546 S N 0.006 115.670 115.700 -0.060 0.000 2.469 546 S HA 0.003 4.464 4.470 -0.015 0.000 0.238 546 S C 1.449 176.037 174.600 -0.019 0.000 0.998 546 S CA 1.296 59.442 58.200 -0.091 0.000 0.957 546 S CB -0.275 62.858 63.200 -0.113 0.000 0.764 546 S HN 0.602 nan 8.310 nan 0.000 0.514 547 F N 1.597 121.458 119.950 -0.149 0.000 2.549 547 F HA 0.259 4.777 4.527 -0.016 0.000 0.275 547 F C 2.403 178.100 175.800 -0.172 0.000 0.990 547 F CA 0.730 58.642 58.000 -0.146 0.000 1.274 547 F CB -0.844 38.079 39.000 -0.129 0.000 1.064 547 F HN 0.132 nan 8.300 nan 0.000 0.715 548 Q N 0.314 119.911 119.800 -0.338 0.000 2.561 548 Q HA -0.067 4.264 4.340 -0.015 0.000 0.217 548 Q C 1.040 176.827 176.000 -0.356 0.000 0.980 548 Q CA 1.930 57.464 55.803 -0.449 0.000 0.927 548 Q CB -1.027 27.495 28.738 -0.360 0.000 0.980 548 Q HN 0.599 nan 8.270 nan 0.000 0.525 549 D N -1.867 118.349 120.400 -0.306 0.000 2.932 549 D HA 0.064 4.695 4.640 -0.015 0.000 0.294 549 D C 2.414 178.586 176.300 -0.214 0.000 1.119 549 D CA 1.221 55.094 54.000 -0.212 0.000 0.980 549 D CB -0.022 40.691 40.800 -0.146 0.000 1.361 549 D HN 0.450 nan 8.370 nan 0.000 0.466 550 K N 1.715 121.989 120.400 -0.209 0.000 2.144 550 K HA -0.181 4.130 4.320 -0.015 0.000 0.209 550 K C 2.246 178.749 176.600 -0.161 0.000 1.047 550 K CA 1.429 57.630 56.287 -0.145 0.000 0.927 550 K CB -1.397 31.069 32.500 -0.057 0.000 0.716 550 K HN 0.182 nan 8.250 nan 0.000 0.454 551 L N -1.361 119.674 121.223 -0.313 0.000 1.973 551 L HA -0.079 4.252 4.340 -0.015 0.000 0.208 551 L C 3.098 179.901 176.870 -0.112 0.000 1.073 551 L CA 2.154 56.856 54.840 -0.231 0.000 0.746 551 L CB -1.481 40.274 42.059 -0.506 0.000 0.891 551 L HN 0.584 nan 8.230 nan 0.000 0.433 552 Y N 0.155 120.354 120.300 -0.169 0.000 1.938 552 Y HA -0.408 4.133 4.550 -0.015 0.000 0.253 552 Y C 2.612 178.462 175.900 -0.084 0.000 1.163 552 Y CA 2.477 60.515 58.100 -0.103 0.000 1.086 552 Y CB -1.450 36.948 38.460 -0.104 0.000 0.928 552 Y HN 0.283 nan 8.280 nan 0.000 0.493 553 Q N 0.656 120.399 119.800 -0.094 0.000 2.522 553 Q HA -0.201 4.131 4.340 -0.015 0.000 0.216 553 Q C 1.393 177.326 176.000 -0.112 0.000 0.986 553 Q CA 1.813 57.564 55.803 -0.088 0.000 0.901 553 Q CB -0.587 28.102 28.738 -0.081 0.000 0.954 553 Q HN 0.934 nan 8.270 nan 0.000 0.502 554 N N -2.233 116.383 118.700 -0.139 0.000 2.397 554 N HA -0.000 4.731 4.740 -0.015 0.000 0.190 554 N C 0.228 175.409 175.510 -0.549 0.000 1.099 554 N CA 0.109 52.985 53.050 -0.291 0.000 0.876 554 N CB 0.555 38.884 38.487 -0.262 0.000 1.143 554 N HN 0.225 nan 8.380 nan 0.000 0.468 555 H N -1.608 117.392 119.070 -0.117 0.000 3.540 555 H HA 0.256 4.804 4.556 -0.013 0.000 0.259 555 H C 0.197 175.468 175.328 -0.096 0.000 1.197 555 H CA -0.130 55.849 56.048 -0.114 0.000 1.136 555 H CB 0.460 30.121 29.762 -0.168 0.000 1.605 555 H HN 0.028 nan 8.280 nan 0.000 0.657 556 M N 1.210 120.811 119.600 0.002 0.000 2.220 556 M HA 0.577 5.048 4.480 -0.015 0.000 0.343 556 M C 1.645 177.943 176.300 -0.003 0.000 1.470 556 M CA 0.685 55.984 55.300 -0.002 0.000 1.161 556 M CB -1.416 31.172 32.600 -0.020 0.000 1.737 556 M HN 0.761 nan 8.290 nan 0.000 0.464 557 G N 1.541 110.349 108.800 0.013 0.000 2.253 557 G HA2 -0.180 3.771 3.960 -0.015 0.000 0.251 557 G HA3 -0.180 3.771 3.960 -0.015 0.000 0.251 557 G C 0.618 175.521 174.900 0.005 0.000 0.998 557 G CA 0.297 45.402 45.100 0.009 0.000 0.621 557 G HN 0.854 nan 8.290 nan 0.000 0.524 558 K N 1.168 121.568 120.400 -0.000 0.000 2.994 558 K HA 0.380 4.691 4.320 -0.015 0.000 0.231 558 K C 0.211 176.824 176.600 0.021 0.000 1.174 558 K CA -0.233 56.049 56.287 -0.007 0.000 1.221 558 K CB -0.158 32.310 32.500 -0.052 0.000 1.166 558 K HN 0.471 nan 8.250 nan 0.000 0.453 559 N N -0.058 118.661 118.700 0.032 0.000 3.265 559 N HA 0.111 4.843 4.740 -0.015 0.000 0.235 559 N C -0.011 175.524 175.510 0.041 0.000 1.343 559 N CA -0.387 52.689 53.050 0.043 0.000 0.904 559 N CB 1.382 39.904 38.487 0.058 0.000 1.492 559 N HN 0.016 nan 8.380 nan 0.000 0.504 560 R N 0.891 121.416 120.500 0.042 0.000 2.112 560 R HA 0.177 4.509 4.340 -0.015 0.000 0.216 560 R C 1.535 177.866 176.300 0.051 0.000 1.080 560 R CA 0.960 57.085 56.100 0.042 0.000 0.996 560 R CB 0.137 30.459 30.300 0.037 0.000 0.902 560 R HN 0.524 nan 8.270 nan 0.000 0.449 561 M N 0.079 119.712 119.600 0.056 0.000 2.171 561 M HA 0.082 4.554 4.480 -0.015 0.000 0.260 561 M C 1.472 177.833 176.300 0.102 0.000 1.087 561 M CA 0.767 56.109 55.300 0.071 0.000 1.154 561 M CB -1.044 31.592 32.600 0.060 0.000 1.331 561 M HN -0.027 nan 8.290 nan 0.000 0.431 562 F N 2.710 122.711 119.950 0.086 0.000 2.578 562 F HA 0.431 4.950 4.527 -0.015 0.000 0.376 562 F C 0.782 176.652 175.800 0.116 0.000 1.085 562 F CA -0.046 58.022 58.000 0.113 0.000 1.260 562 F CB -0.927 38.068 39.000 -0.009 0.000 1.095 562 F HN 0.366 nan 8.300 nan 0.000 0.573 563 T N -0.186 114.466 114.554 0.164 0.000 2.830 563 T HA 0.665 5.006 4.350 -0.015 0.000 0.322 563 T C -0.499 174.280 174.700 0.131 0.000 1.501 563 T CA -0.494 61.675 62.100 0.115 0.000 1.036 563 T CB 0.495 69.417 68.868 0.089 0.000 1.379 563 T HN 1.665 nan 8.240 nan 0.000 0.493 564 K N 1.340 121.794 120.400 0.090 0.000 2.319 564 K HA 0.607 4.918 4.320 -0.015 0.000 0.265 564 K C -2.008 174.635 176.600 0.070 0.000 1.000 564 K CA -1.354 54.983 56.287 0.083 0.000 0.943 564 K CB -1.388 31.146 32.500 0.056 0.000 0.950 564 K HN 0.777 nan 8.250 nan 0.000 0.485 565 P HA -0.000 nan 4.420 nan 0.000 0.270 565 P C 0.521 177.834 177.300 0.023 0.000 1.216 565 P CA 0.337 63.454 63.100 0.028 0.000 0.788 565 P CB 0.386 32.088 31.700 0.004 0.000 0.883 566 G N 0.014 108.822 108.800 0.013 0.000 2.714 566 G HA2 0.625 4.576 3.960 -0.015 0.000 0.197 566 G HA3 0.625 4.576 3.960 -0.015 0.000 0.197 566 G C -0.281 174.623 174.900 0.006 0.000 1.449 566 G CA 0.259 45.367 45.100 0.012 0.000 1.065 566 G HN 0.838 nan 8.290 nan 0.000 0.575 571 P HA 0.131 nan 4.420 nan 0.000 0.202 571 P C 0.593 177.890 177.300 -0.005 0.000 1.171 571 P CA 2.118 65.212 63.100 -0.009 0.000 0.925 571 P CB -0.201 31.492 31.700 -0.012 0.000 0.760 572 N N -2.063 116.638 118.700 0.002 0.000 2.471 572 N HA 0.404 5.135 4.740 -0.015 0.000 0.270 572 N C 0.581 176.100 175.510 0.016 0.000 1.490 572 N CA 0.374 53.426 53.050 0.004 0.000 0.850 572 N CB -0.312 38.178 38.487 0.005 0.000 1.411 572 N HN 0.666 nan 8.380 nan 0.000 0.488 573 Q N -0.038 119.774 119.800 0.019 0.000 2.352 573 Q HA 0.666 4.997 4.340 -0.015 0.000 0.260 573 Q C 1.062 177.085 176.000 0.039 0.000 0.976 573 Q CA 0.060 55.888 55.803 0.042 0.000 0.881 573 Q CB 0.169 28.925 28.738 0.030 0.000 1.235 573 Q HN 1.126 nan 8.270 nan 0.000 0.419 574 G N 1.127 109.980 108.800 0.089 0.000 2.535 574 G HA2 0.589 4.540 3.960 -0.015 0.000 0.282 574 G HA3 0.589 4.540 3.960 -0.015 0.000 0.282 574 G C -2.161 172.784 174.900 0.075 0.000 1.350 574 G CA -0.879 44.233 45.100 0.021 0.000 1.039 574 G HN 0.705 nan 8.290 nan 0.000 0.509 575 P HA 0.439 nan 4.420 nan 0.000 0.271 575 P C -0.727 176.597 177.300 0.040 0.000 1.220 575 P CA 0.021 63.111 63.100 -0.017 0.000 0.768 575 P CB 1.296 32.947 31.700 -0.081 0.000 0.848 576 A N 2.637 125.380 122.820 -0.129 0.000 2.381 576 A HA 0.476 4.787 4.320 -0.015 0.000 0.299 576 A C 0.275 177.706 177.584 -0.255 0.000 1.049 576 A CA -0.531 51.406 52.037 -0.166 0.000 0.715 576 A CB 0.704 19.651 19.000 -0.087 0.000 1.222 576 A HN 0.578 nan 8.150 nan 0.000 0.428 577 H N 2.049 121.144 119.070 0.042 0.000 2.320 577 H HA 0.133 4.679 4.556 -0.015 0.000 0.312 577 H C 0.824 176.200 175.328 0.080 0.000 1.051 577 H CA 1.856 57.926 56.048 0.037 0.000 1.339 577 H CB -0.491 29.275 29.762 0.007 0.000 1.437 577 H HN 0.723 nan 8.280 nan 0.000 0.538 578 F N 0.777 120.809 119.950 0.136 0.000 2.380 578 F HA 0.514 5.032 4.527 -0.016 0.000 0.319 578 F C -0.110 175.786 175.800 0.160 0.000 1.113 578 F CA -0.801 57.248 58.000 0.082 0.000 1.056 578 F CB 1.195 40.190 39.000 -0.008 0.000 1.289 578 F HN -0.013 nan 8.300 nan 0.000 0.515 579 E N 2.789 123.177 120.200 0.315 0.000 2.241 579 E HA 0.354 4.695 4.350 -0.015 0.000 0.263 579 E C -1.579 175.217 176.600 0.326 0.000 0.882 579 E CA -0.722 55.747 56.400 0.115 0.000 0.769 579 E CB 2.043 31.799 29.700 0.093 0.000 1.185 579 E HN 0.727 nan 8.360 nan 0.000 0.415 580 L N 2.139 123.546 121.223 0.306 0.000 2.379 580 L HA 0.418 4.749 4.340 -0.015 0.000 0.269 580 L C 0.463 177.417 176.870 0.140 0.000 1.084 580 L CA -0.330 54.691 54.840 0.301 0.000 0.802 580 L CB 1.089 43.278 42.059 0.217 0.000 1.175 580 L HN 0.790 nan 8.230 nan 0.000 0.448 581 H N 2.282 121.394 119.070 0.072 0.000 2.628 581 H HA 0.308 4.855 4.556 -0.015 0.000 0.250 581 H C -0.256 175.106 175.328 0.057 0.000 1.442 581 H CA -0.833 55.257 56.048 0.069 0.000 1.282 581 H CB -0.393 29.409 29.762 0.066 0.000 1.487 581 H HN 0.547 nan 8.280 nan 0.000 0.544 582 H N 0.802 119.939 119.070 0.111 0.000 2.603 582 H HA 0.019 4.571 4.556 -0.007 0.000 0.370 582 H C 1.412 176.657 175.328 -0.139 0.000 1.225 582 H CA 0.494 56.571 56.048 0.048 0.000 1.410 582 H CB 0.832 30.615 29.762 0.035 0.000 1.495 582 H HN 0.848 nan 8.280 nan 0.000 0.602 583 Y N 0.350 120.679 120.300 0.049 0.000 2.114 583 Y HA -0.206 4.330 4.550 -0.024 0.000 0.282 583 Y C 2.157 177.928 175.900 -0.215 0.000 1.165 583 Y CA 1.315 59.375 58.100 -0.067 0.000 1.148 583 Y CB -0.881 37.548 38.460 -0.051 0.000 0.972 583 Y HN 0.496 nan 8.280 nan 0.000 0.504 584 A N 0.784 122.665 122.820 -1.564 0.000 2.121 584 A HA 0.415 4.726 4.320 -0.015 0.000 0.218 584 A C 1.453 178.614 177.584 -0.706 0.000 1.154 584 A CA 1.154 52.412 52.037 -1.299 0.000 0.679 584 A CB -1.212 16.410 19.000 -2.297 0.000 0.795 584 A HN 1.152 nan 8.150 nan 0.000 0.458 585 G N -1.412 107.083 108.800 -0.507 0.000 2.361 585 G HA2 0.162 4.113 3.960 -0.015 0.000 0.331 585 G HA3 0.162 4.113 3.960 -0.015 0.000 0.331 585 G C -1.430 173.500 174.900 0.050 0.000 1.324 585 G CA -0.631 44.379 45.100 -0.150 0.000 0.984 585 G HN 0.293 nan 8.290 nan 0.000 0.586 586 N N -0.824 117.921 118.700 0.074 0.000 2.497 586 N HA 0.472 5.203 4.740 -0.015 0.000 0.268 586 N C -0.169 175.424 175.510 0.137 0.000 1.171 586 N CA -0.013 53.106 53.050 0.115 0.000 0.948 586 N CB 1.722 40.250 38.487 0.069 0.000 1.069 586 N HN 0.592 nan 8.380 nan 0.000 0.460 587 V N 2.951 122.956 119.914 0.152 0.000 2.638 587 V HA 0.522 4.633 4.120 -0.015 0.000 0.306 587 V C -2.293 173.668 176.094 -0.221 0.000 1.052 587 V CA -1.652 60.641 62.300 -0.011 0.000 0.885 587 V CB 2.265 34.120 31.823 0.052 0.000 0.999 587 V HN 0.647 nan 8.190 nan 0.000 0.424 588 P HA 0.441 nan 4.420 nan 0.000 0.290 588 P C -1.795 175.212 177.300 -0.489 0.000 1.276 588 P CA -0.325 62.608 63.100 -0.279 0.000 0.808 588 P CB 0.932 32.545 31.700 -0.145 0.000 0.966 589 Y N -0.000 120.102 120.300 -0.329 0.000 2.409 589 Y HA 0.374 4.913 4.550 -0.019 0.000 0.343 589 Y C 0.779 176.629 175.900 -0.083 0.000 0.973 589 Y CA -0.543 57.404 58.100 -0.256 0.000 1.064 589 Y CB 2.354 40.528 38.460 -0.476 0.000 1.207 589 Y HN 0.244 nan 8.280 nan 0.000 0.452 590 S N 3.208 119.055 115.700 0.245 0.000 2.438 590 S HA 0.362 4.823 4.470 -0.015 0.000 0.316 590 S C 0.462 175.333 174.600 0.451 0.000 1.084 590 S CA -0.661 57.789 58.200 0.416 0.000 1.107 590 S CB -0.077 63.399 63.200 0.460 0.000 0.981 590 S HN 0.603 nan 8.310 nan 0.000 0.466 591 I N 3.317 123.932 120.570 0.075 0.000 3.444 591 I HA 0.062 4.224 4.170 -0.015 0.000 0.287 591 I C 0.960 177.000 176.117 -0.128 0.000 1.302 591 I CA -0.043 60.816 61.300 -0.734 0.000 1.368 591 I CB -1.259 36.349 38.000 -0.653 0.000 1.048 591 I HN 0.454 nan 8.210 nan 0.000 0.487 592 T N 2.266 116.956 114.554 0.226 0.000 2.738 592 T HA 0.292 4.634 4.350 -0.015 0.000 0.277 592 T C 1.278 176.190 174.700 0.353 0.000 0.981 592 T CA 0.369 62.627 62.100 0.264 0.000 1.211 592 T CB -0.121 68.937 68.868 0.317 0.000 0.932 592 T HN 0.705 nan 8.240 nan 0.000 0.522 593 G N 2.377 111.324 108.800 0.246 0.000 2.314 593 G HA2 -0.228 3.723 3.960 -0.015 0.000 0.292 593 G HA3 -0.228 3.723 3.960 -0.015 0.000 0.292 593 G C 0.493 175.578 174.900 0.308 0.000 1.059 593 G CA -0.083 45.151 45.100 0.222 0.000 0.982 593 G HN 0.788 nan 8.290 nan 0.000 0.505 594 W N -0.540 120.756 121.300 -0.007 0.000 2.525 594 W HA 0.342 4.996 4.660 -0.011 0.000 0.288 594 W C 2.533 178.890 176.519 -0.269 0.000 1.200 594 W CA 0.876 58.143 57.345 -0.129 0.000 1.349 594 W CB -0.817 28.564 29.460 -0.131 0.000 1.102 594 W HN 0.345 nan 8.180 nan 0.000 0.558 595 L N 0.434 121.656 121.223 -0.003 0.000 1.976 595 L HA -0.337 3.994 4.340 -0.015 0.000 0.223 595 L C 2.518 179.328 176.870 -0.099 0.000 1.081 595 L CA 2.408 57.174 54.840 -0.124 0.000 0.784 595 L CB -0.985 41.026 42.059 -0.080 0.000 0.896 595 L HN 0.022 nan 8.230 nan 0.000 0.438 596 E N 0.070 120.250 120.200 -0.033 0.000 2.021 596 E HA -0.308 4.033 4.350 -0.015 0.000 0.200 596 E C 2.109 178.685 176.600 -0.039 0.000 1.015 596 E CA 1.826 58.211 56.400 -0.025 0.000 0.824 596 E CB -0.059 29.646 29.700 0.008 0.000 0.762 596 E HN 0.335 nan 8.360 nan 0.000 0.454 597 K N -0.029 120.354 120.400 -0.028 0.000 2.366 597 K HA -0.211 4.101 4.320 -0.015 0.000 0.202 597 K C 1.786 178.343 176.600 -0.070 0.000 1.045 597 K CA 1.410 57.685 56.287 -0.020 0.000 0.934 597 K CB -0.248 32.254 32.500 0.003 0.000 0.746 597 K HN 0.239 nan 8.250 nan 0.000 0.470 598 N N -0.156 118.421 118.700 -0.205 0.000 2.387 598 N HA -0.062 4.669 4.740 -0.015 0.000 0.176 598 N C 0.335 175.766 175.510 -0.131 0.000 1.022 598 N CA 0.346 53.237 53.050 -0.266 0.000 0.883 598 N CB 0.432 38.645 38.487 -0.457 0.000 1.019 598 N HN -0.051 nan 8.380 nan 0.000 0.435 599 K N 0.202 120.533 120.400 -0.115 0.000 2.727 599 K HA 0.243 4.554 4.320 -0.015 0.000 0.299 599 K C -0.904 175.673 176.600 -0.039 0.000 0.996 599 K CA -0.223 56.011 56.287 -0.089 0.000 1.212 599 K CB -0.292 32.147 32.500 -0.102 0.000 1.529 599 K HN -0.128 nan 8.250 nan 0.000 0.646 600 D N 1.256 121.641 120.400 -0.025 0.000 2.358 600 D HA 0.238 4.869 4.640 -0.015 0.000 0.253 600 D C -2.194 174.113 176.300 0.013 0.000 1.288 600 D CA -1.344 52.662 54.000 0.009 0.000 0.950 600 D CB 0.807 41.627 40.800 0.034 0.000 1.197 600 D HN 0.168 nan 8.370 nan 0.000 0.550 601 P HA 0.116 nan 4.420 nan 0.000 0.246 601 P C 0.145 177.457 177.300 0.019 0.000 1.686 601 P CA -0.159 62.946 63.100 0.008 0.000 0.867 601 P CB -0.718 30.983 31.700 0.002 0.000 1.733 602 I N -2.876 117.713 120.570 0.031 0.000 2.713 602 I HA 0.368 4.529 4.170 -0.015 0.000 0.300 602 I C -0.118 176.008 176.117 0.016 0.000 1.009 602 I CA -0.939 60.382 61.300 0.035 0.000 1.305 602 I CB 0.450 38.486 38.000 0.061 0.000 1.430 602 I HN -0.311 nan 8.210 nan 0.000 0.546 603 N N 3.689 122.392 118.700 0.006 0.000 2.394 603 N HA -0.040 4.691 4.740 -0.015 0.000 0.288 603 N C 0.906 176.407 175.510 -0.016 0.000 1.272 603 N CA 0.332 53.379 53.050 -0.005 0.000 1.004 603 N CB 0.104 38.588 38.487 -0.005 0.000 1.393 603 N HN 0.732 nan 8.380 nan 0.000 0.488 604 E N 2.066 122.262 120.200 -0.007 0.000 2.352 604 E HA -0.390 3.951 4.350 -0.015 0.000 0.203 604 E C 1.192 177.778 176.600 -0.024 0.000 1.024 604 E CA 1.070 57.465 56.400 -0.009 0.000 0.842 604 E CB 0.060 29.761 29.700 0.002 0.000 0.753 604 E HN 0.630 nan 8.360 nan 0.000 0.508 605 N N -0.593 118.093 118.700 -0.023 0.000 2.080 605 N HA -0.158 4.573 4.740 -0.015 0.000 0.189 605 N C 1.826 177.308 175.510 -0.048 0.000 1.036 605 N CA 1.601 54.636 53.050 -0.025 0.000 0.846 605 N CB 0.168 38.647 38.487 -0.013 0.000 1.015 605 N HN 0.050 nan 8.380 nan 0.000 0.423 606 V N 1.032 120.909 119.914 -0.062 0.000 2.427 606 V HA -0.155 3.956 4.120 -0.015 0.000 0.248 606 V C 2.453 178.430 176.094 -0.195 0.000 1.051 606 V CA 0.909 63.148 62.300 -0.101 0.000 1.048 606 V CB -0.483 31.288 31.823 -0.086 0.000 0.666 606 V HN 0.141 nan 8.190 nan 0.000 0.456 607 V N 0.985 120.776 119.914 -0.206 0.000 2.220 607 V HA -0.405 3.706 4.120 -0.015 0.000 0.250 607 V C 2.798 178.743 176.094 -0.249 0.000 1.053 607 V CA 2.757 64.876 62.300 -0.303 0.000 1.019 607 V CB -1.437 30.323 31.823 -0.104 0.000 0.646 607 V HN 0.575 nan 8.190 nan 0.000 0.455 608 A N -1.038 121.715 122.820 -0.111 0.000 2.024 608 A HA -0.205 4.106 4.320 -0.015 0.000 0.220 608 A C 2.250 179.788 177.584 -0.077 0.000 1.164 608 A CA 2.128 54.127 52.037 -0.063 0.000 0.643 608 A CB -0.605 18.377 19.000 -0.030 0.000 0.806 608 A HN 0.544 nan 8.150 nan 0.000 0.451 609 L N -0.987 120.176 121.223 -0.100 0.000 2.046 609 L HA -0.155 4.176 4.340 -0.015 0.000 0.208 609 L C 2.461 179.268 176.870 -0.106 0.000 1.077 609 L CA 1.352 56.143 54.840 -0.082 0.000 0.747 609 L CB -0.219 41.795 42.059 -0.075 0.000 0.896 609 L HN 0.445 nan 8.230 nan 0.000 0.432 610 L N -1.152 119.949 121.223 -0.203 0.000 2.049 610 L HA -0.059 4.272 4.340 -0.015 0.000 0.203 610 L C 2.630 179.436 176.870 -0.107 0.000 1.074 610 L CA 1.139 55.837 54.840 -0.237 0.000 0.749 610 L CB -1.259 40.408 42.059 -0.655 0.000 0.907 610 L HN 0.297 nan 8.230 nan 0.000 0.439 611 G N 0.139 108.874 108.800 -0.110 0.000 2.661 611 G HA2 -0.319 3.632 3.960 -0.015 0.000 0.224 611 G HA3 -0.319 3.632 3.960 -0.015 0.000 0.224 611 G C 0.783 175.703 174.900 0.034 0.000 1.114 611 G CA 0.922 46.051 45.100 0.048 0.000 0.751 611 G HN 0.455 nan 8.290 nan 0.000 0.609 612 A N -0.370 122.448 122.820 -0.003 0.000 2.540 612 A HA 0.705 5.016 4.320 -0.015 0.000 0.340 612 A C -0.001 177.577 177.584 -0.009 0.000 1.424 612 A CA 0.207 52.243 52.037 -0.002 0.000 0.940 612 A CB 0.691 19.686 19.000 -0.007 0.000 1.149 612 A HN 0.447 nan 8.150 nan 0.000 0.505 613 S N 0.910 116.609 115.700 -0.003 0.000 2.627 613 S HA 0.672 5.133 4.470 -0.015 0.000 0.283 613 S C 0.691 175.280 174.600 -0.018 0.000 1.127 613 S CA 0.288 58.481 58.200 -0.011 0.000 0.863 613 S CB 1.459 64.655 63.200 -0.006 0.000 1.121 613 S HN 1.055 nan 8.310 nan 0.000 0.479 614 K N 0.800 121.184 120.400 -0.027 0.000 2.437 614 K HA 0.342 4.653 4.320 -0.015 0.000 0.198 614 K C 0.125 176.692 176.600 -0.055 0.000 1.024 614 K CA 0.551 56.817 56.287 -0.035 0.000 1.148 614 K CB -0.244 32.237 32.500 -0.032 0.000 0.860 614 K HN 0.594 nan 8.250 nan 0.000 0.515 615 E N 0.818 120.982 120.200 -0.059 0.000 2.145 615 E HA 0.263 4.604 4.350 -0.015 0.000 0.270 615 E C -1.913 174.634 176.600 -0.088 0.000 0.906 615 E CA -2.634 53.717 56.400 -0.082 0.000 0.761 615 E CB 2.044 31.692 29.700 -0.087 0.000 1.116 615 E HN -0.009 nan 8.360 nan 0.000 0.408 616 P HA -0.184 nan 4.420 nan 0.000 0.219 616 P C 0.982 178.164 177.300 -0.197 0.000 1.146 616 P CA 0.651 63.680 63.100 -0.120 0.000 0.808 616 P CB 0.410 32.045 31.700 -0.108 0.000 0.779 617 L N 0.037 121.099 121.223 -0.268 0.000 2.056 617 L HA -0.024 4.307 4.340 -0.015 0.000 0.202 617 L C 2.603 179.291 176.870 -0.304 0.000 1.086 617 L CA 1.403 55.976 54.840 -0.444 0.000 0.758 617 L CB -1.423 40.333 42.059 -0.504 0.000 0.912 617 L HN -0.267 nan 8.230 nan 0.000 0.446 618 V N 0.913 120.739 119.914 -0.147 0.000 2.277 618 V HA -0.400 3.711 4.120 -0.015 0.000 0.253 618 V C 2.831 179.016 176.094 0.152 0.000 1.067 618 V CA 2.071 64.407 62.300 0.061 0.000 1.047 618 V CB -1.745 30.151 31.823 0.122 0.000 0.649 618 V HN 0.632 nan 8.190 nan 0.000 0.447 619 A N -0.737 122.112 122.820 0.048 0.000 1.865 619 A HA -0.322 3.989 4.320 -0.015 0.000 0.217 619 A C 2.300 179.895 177.584 0.019 0.000 1.191 619 A CA 2.276 54.348 52.037 0.059 0.000 0.623 619 A CB -0.668 18.333 19.000 0.002 0.000 0.826 619 A HN 0.633 nan 8.150 nan 0.000 0.444 620 E N -0.227 119.922 120.200 -0.084 0.000 2.038 620 E HA -0.198 4.143 4.350 -0.015 0.000 0.195 620 E C 1.945 178.447 176.600 -0.163 0.000 1.000 620 E CA 1.352 57.685 56.400 -0.113 0.000 0.803 620 E CB -0.283 29.307 29.700 -0.184 0.000 0.750 620 E HN 0.611 nan 8.360 nan 0.000 0.448 621 L N -0.354 120.679 121.223 -0.316 0.000 2.270 621 L HA -0.186 4.145 4.340 -0.015 0.000 0.217 621 L C 0.777 177.210 176.870 -0.728 0.000 1.107 621 L CA 0.943 55.449 54.840 -0.557 0.000 0.772 621 L CB -0.233 41.363 42.059 -0.773 0.000 0.902 621 L HN 0.152 nan 8.230 nan 0.000 0.439 622 F N -0.842 119.083 119.950 -0.042 0.000 2.761 622 F HA 0.299 4.818 4.527 -0.013 0.000 0.367 622 F C 0.809 176.601 175.800 -0.013 0.000 1.386 622 F CA -0.984 57.006 58.000 -0.017 0.000 1.177 622 F CB 0.027 39.018 39.000 -0.015 0.000 1.092 622 F HN -0.246 nan 8.300 nan 0.000 0.517 623 K N 1.524 121.971 120.400 0.079 0.000 2.213 623 K HA 0.470 4.781 4.320 -0.015 0.000 0.243 623 K C 0.799 177.439 176.600 0.067 0.000 1.085 623 K CA 0.406 56.727 56.287 0.057 0.000 0.818 623 K CB 0.195 32.710 32.500 0.025 0.000 1.106 623 K HN 0.286 nan 8.250 nan 0.000 0.520 643 Q N 1.701 121.604 119.800 0.171 0.000 3.429 643 Q HA 0.538 4.870 4.340 -0.015 0.000 0.190 643 Q C -1.474 174.502 176.000 -0.040 0.000 0.807 643 Q CA -0.467 55.374 55.803 0.064 0.000 0.854 643 Q CB 1.119 29.901 28.738 0.073 0.000 1.481 643 Q HN 0.551 nan 8.270 nan 0.000 0.463 644 T N 0.167 114.691 114.554 -0.050 0.000 2.922 644 T HA 0.604 4.945 4.350 -0.015 0.000 0.281 644 T C 1.277 175.984 174.700 0.011 0.000 1.005 644 T CA -0.516 61.535 62.100 -0.082 0.000 0.982 644 T CB 1.142 69.931 68.868 -0.131 0.000 1.158 644 T HN 0.540 nan 8.240 nan 0.000 0.566 645 I N 1.102 121.690 120.570 0.029 0.000 2.916 645 I HA -0.148 4.014 4.170 -0.015 0.000 0.267 645 I C 1.875 178.092 176.117 0.167 0.000 1.263 645 I CA 1.163 62.524 61.300 0.101 0.000 1.471 645 I CB -0.037 38.056 38.000 0.156 0.000 1.089 645 I HN 0.716 nan 8.210 nan 0.000 0.468 646 S N -1.113 114.682 115.700 0.159 0.000 2.559 646 S HA 0.260 4.721 4.470 -0.015 0.000 0.226 646 S C 1.662 176.386 174.600 0.207 0.000 1.030 646 S CA 0.204 58.547 58.200 0.238 0.000 0.956 646 S CB 0.504 63.859 63.200 0.259 0.000 0.900 646 S HN 0.225 nan 8.310 nan 0.000 0.510 647 A N 1.188 124.096 122.820 0.147 0.000 2.218 647 A HA 0.464 4.775 4.320 -0.015 0.000 0.209 647 A C 1.827 179.507 177.584 0.161 0.000 1.168 647 A CA 0.567 52.697 52.037 0.154 0.000 0.804 647 A CB -0.405 18.699 19.000 0.173 0.000 0.834 647 A HN 0.390 nan 8.150 nan 0.000 0.482 648 V N -1.320 118.696 119.914 0.170 0.000 3.052 648 V HA -0.081 4.031 4.120 -0.015 0.000 0.254 648 V C 2.178 178.408 176.094 0.227 0.000 1.100 648 V CA 1.888 64.286 62.300 0.163 0.000 1.112 648 V CB -0.533 31.370 31.823 0.134 0.000 0.738 648 V HN 0.779 nan 8.190 nan 0.000 0.469 649 H N 0.209 119.369 119.070 0.149 0.000 2.451 649 H HA 0.133 4.676 4.556 -0.021 0.000 0.294 649 H C 2.358 177.807 175.328 0.202 0.000 1.028 649 H CA 1.204 57.367 56.048 0.191 0.000 1.349 649 H CB 0.078 29.970 29.762 0.217 0.000 1.444 649 H HN 0.119 nan 8.280 nan 0.000 0.538 650 R N 0.074 120.705 120.500 0.217 0.000 2.140 650 R HA -0.249 4.083 4.340 -0.015 0.000 0.250 650 R C 2.374 178.719 176.300 0.076 0.000 1.150 650 R CA 2.496 58.685 56.100 0.148 0.000 0.966 650 R CB -0.102 30.283 30.300 0.141 0.000 0.869 650 R HN 0.648 nan 8.270 nan 0.000 0.445 651 E N -0.552 119.697 120.200 0.080 0.000 2.060 651 E HA -0.061 4.281 4.350 -0.015 0.000 0.189 651 E C 1.709 178.333 176.600 0.040 0.000 0.974 651 E CA 0.905 57.336 56.400 0.051 0.000 0.808 651 E CB -0.898 28.838 29.700 0.059 0.000 0.768 651 E HN 0.344 nan 8.360 nan 0.000 0.453 652 S N -0.337 115.410 115.700 0.078 0.000 2.380 652 S HA -0.167 4.294 4.470 -0.015 0.000 0.229 652 S C 2.003 176.687 174.600 0.140 0.000 1.043 652 S CA 1.815 60.092 58.200 0.128 0.000 1.038 652 S CB -0.283 63.065 63.200 0.246 0.000 0.872 652 S HN 0.452 nan 8.310 nan 0.000 0.456 653 L N 1.883 123.076 121.223 -0.049 0.000 2.168 653 L HA 0.239 4.570 4.340 -0.015 0.000 0.203 653 L C 1.933 178.726 176.870 -0.127 0.000 1.078 653 L CA 1.517 56.252 54.840 -0.176 0.000 0.780 653 L CB -1.114 40.705 42.059 -0.399 0.000 0.939 653 L HN 0.198 nan 8.230 nan 0.000 0.451 654 N N 0.287 118.945 118.700 -0.070 0.000 2.137 654 N HA -0.255 4.476 4.740 -0.015 0.000 0.190 654 N C 1.808 177.277 175.510 -0.069 0.000 1.017 654 N CA 1.458 54.474 53.050 -0.057 0.000 0.859 654 N CB -0.068 38.410 38.487 -0.016 0.000 1.002 654 N HN 0.426 nan 8.380 nan 0.000 0.428 655 K N 0.681 121.051 120.400 -0.049 0.000 1.973 655 K HA -0.134 4.177 4.320 -0.015 0.000 0.212 655 K C 2.075 178.610 176.600 -0.108 0.000 1.047 655 K CA 0.865 57.121 56.287 -0.053 0.000 0.937 655 K CB -0.406 32.078 32.500 -0.026 0.000 0.721 655 K HN -0.026 nan 8.250 nan 0.000 0.440 656 L N 1.410 122.548 121.223 -0.142 0.000 2.011 656 L HA -0.320 4.011 4.340 -0.015 0.000 0.225 656 L C 2.250 178.942 176.870 -0.298 0.000 1.084 656 L CA 2.061 56.709 54.840 -0.321 0.000 0.791 656 L CB -0.592 41.264 42.059 -0.339 0.000 0.898 656 L HN 0.362 nan 8.230 nan 0.000 0.440 657 M N -0.105 119.371 119.600 -0.208 0.000 2.115 657 M HA -0.255 4.216 4.480 -0.015 0.000 0.258 657 M C 2.522 178.800 176.300 -0.037 0.000 1.071 657 M CA 2.749 57.975 55.300 -0.125 0.000 1.100 657 M CB -1.889 30.630 32.600 -0.136 0.000 1.292 657 M HN 0.422 nan 8.290 nan 0.000 0.415 658 K N 0.556 120.915 120.400 -0.068 0.000 2.242 658 K HA -0.217 4.095 4.320 -0.015 0.000 0.206 658 K C 1.632 178.272 176.600 0.065 0.000 1.045 658 K CA 2.191 58.472 56.287 -0.011 0.000 0.930 658 K CB -1.733 30.753 32.500 -0.024 0.000 0.726 658 K HN 0.717 nan 8.250 nan 0.000 0.462 659 N N -0.304 118.413 118.700 0.029 0.000 2.124 659 N HA 0.058 4.789 4.740 -0.015 0.000 0.188 659 N C 1.913 177.532 175.510 0.181 0.000 1.045 659 N CA 1.044 54.180 53.050 0.144 0.000 0.846 659 N CB -0.148 38.363 38.487 0.041 0.000 1.020 659 N HN 0.266 nan 8.380 nan 0.000 0.432 660 L N 0.267 121.493 121.223 0.006 0.000 2.089 660 L HA -0.231 4.100 4.340 -0.015 0.000 0.213 660 L C 1.501 178.307 176.870 -0.106 0.000 1.079 660 L CA 1.431 56.174 54.840 -0.163 0.000 0.758 660 L CB -0.582 41.064 42.059 -0.688 0.000 0.891 660 L HN 0.337 nan 8.230 nan 0.000 0.433 661 Y N -0.544 119.705 120.300 -0.085 0.000 2.553 661 Y HA -0.083 4.457 4.550 -0.016 0.000 0.303 661 Y C 2.281 178.255 175.900 0.123 0.000 1.194 661 Y CA 0.627 58.786 58.100 0.098 0.000 1.305 661 Y CB 0.032 38.501 38.460 0.014 0.000 1.045 661 Y HN 0.238 nan 8.280 nan 0.000 0.514 662 S N -2.331 113.495 115.700 0.210 0.000 2.578 662 S HA 0.136 4.597 4.470 -0.015 0.000 0.231 662 S C 0.596 175.247 174.600 0.085 0.000 0.994 662 S CA 0.001 58.291 58.200 0.150 0.000 0.956 662 S CB -0.399 62.896 63.200 0.159 0.000 0.870 662 S HN 0.193 nan 8.310 nan 0.000 0.494 663 T N -0.495 114.130 114.554 0.117 0.000 2.927 663 T HA 0.578 4.919 4.350 -0.015 0.000 0.286 663 T C -0.835 173.944 174.700 0.133 0.000 1.040 663 T CA -0.660 61.477 62.100 0.061 0.000 1.010 663 T CB 1.283 70.178 68.868 0.046 0.000 1.177 663 T HN 0.382 nan 8.240 nan 0.000 0.546 664 H N 1.678 120.692 119.070 -0.093 0.000 2.718 664 H HA 0.528 5.078 4.556 -0.009 0.000 0.295 664 H C -2.863 172.135 175.328 -0.549 0.000 1.051 664 H CA -2.497 53.417 56.048 -0.224 0.000 1.260 664 H CB 1.078 30.762 29.762 -0.130 0.000 1.403 664 H HN 0.395 nan 8.280 nan 0.000 0.488 665 P HA 0.115 nan 4.420 nan 0.000 0.270 665 P C -0.809 175.641 177.300 -1.416 0.000 1.223 665 P CA 0.121 62.642 63.100 -0.966 0.000 0.785 665 P CB 1.158 32.311 31.700 -0.911 0.000 0.923 666 H N 0.787 119.402 119.070 -0.759 0.000 2.934 666 H HA 0.357 4.901 4.556 -0.020 0.000 0.340 666 H C -0.615 174.364 175.328 -0.582 0.000 1.008 666 H CA -0.252 55.465 56.048 -0.552 0.000 1.317 666 H CB 0.478 30.050 29.762 -0.317 0.000 1.670 666 H HN 0.277 nan 8.280 nan 0.000 0.516 667 F N 1.357 121.250 119.950 -0.095 0.000 2.422 667 F HA 0.468 4.973 4.527 -0.037 0.000 0.333 667 F C 0.432 176.192 175.800 -0.066 0.000 1.095 667 F CA -0.899 57.028 58.000 -0.123 0.000 1.038 667 F CB 1.631 40.444 39.000 -0.312 0.000 1.156 667 F HN 0.088 nan 8.300 nan 0.000 0.483 668 V N 3.974 123.982 119.914 0.157 0.000 2.443 668 V HA 0.451 4.562 4.120 -0.015 0.000 0.293 668 V C -0.502 175.656 176.094 0.107 0.000 1.021 668 V CA -0.954 61.414 62.300 0.112 0.000 0.848 668 V CB 1.514 33.377 31.823 0.067 0.000 0.998 668 V HN 0.565 nan 8.190 nan 0.000 0.424 669 R N 2.765 123.336 120.500 0.119 0.000 2.230 669 R HA 0.402 4.733 4.340 -0.015 0.000 0.337 669 R C -0.582 175.699 176.300 -0.032 0.000 1.063 669 R CA -0.325 55.814 56.100 0.066 0.000 0.935 669 R CB 0.982 31.354 30.300 0.120 0.000 1.121 669 R HN 0.643 nan 8.270 nan 0.000 0.486 670 C N 4.337 123.599 119.300 -0.064 0.000 2.593 670 C HA 0.454 4.905 4.460 -0.015 0.000 0.409 670 C C 1.031 175.933 174.990 -0.147 0.000 1.304 670 C CA -0.318 58.623 59.018 -0.128 0.000 2.007 670 C CB -0.349 27.318 27.740 -0.123 0.000 2.614 670 C HN 0.630 nan 8.230 nan 0.000 0.585 671 I N 3.847 124.297 120.570 -0.200 0.000 2.465 671 I HA 0.399 4.560 4.170 -0.015 0.000 0.291 671 I C -0.168 175.793 176.117 -0.260 0.000 1.014 671 I CA -0.447 60.728 61.300 -0.208 0.000 1.093 671 I CB 1.473 39.346 38.000 -0.213 0.000 1.267 671 I HN 0.603 nan 8.210 nan 0.000 0.431 672 I N 8.564 129.005 120.570 -0.215 0.000 2.371 672 I HA 0.264 4.425 4.170 -0.015 0.000 0.290 672 I C -1.430 174.554 176.117 -0.222 0.000 1.028 672 I CA -1.794 59.368 61.300 -0.230 0.000 1.345 672 I CB 1.574 39.496 38.000 -0.130 0.000 1.407 672 I HN 0.426 nan 8.210 nan 0.000 0.501 673 P HA -0.034 nan 4.420 nan 0.000 0.217 673 P C -0.894 176.368 177.300 -0.064 0.000 1.154 673 P CA 1.004 63.954 63.100 -0.250 0.000 0.841 673 P CB 0.015 31.470 31.700 -0.409 0.000 0.788 674 N N -2.904 115.818 118.700 0.037 0.000 2.823 674 N HA 0.153 4.884 4.740 -0.015 0.000 0.251 674 N C 0.401 175.986 175.510 0.125 0.000 1.392 674 N CA -0.748 52.352 53.050 0.083 0.000 0.864 674 N CB 0.603 39.153 38.487 0.105 0.000 1.481 674 N HN -0.388 nan 8.380 nan 0.000 0.508 675 E N 0.609 120.851 120.200 0.071 0.000 2.016 675 E HA -0.016 4.325 4.350 -0.015 0.000 0.190 675 E C 1.643 178.265 176.600 0.038 0.000 0.985 675 E CA 1.082 57.515 56.400 0.055 0.000 0.802 675 E CB -0.460 29.253 29.700 0.022 0.000 0.762 675 E HN 0.598 nan 8.360 nan 0.000 0.448 676 L N 0.484 121.720 121.223 0.022 0.000 2.211 676 L HA -0.228 4.104 4.340 -0.015 0.000 0.216 676 L C 1.079 177.904 176.870 -0.075 0.000 1.092 676 L CA 1.502 56.333 54.840 -0.014 0.000 0.767 676 L CB -0.761 41.300 42.059 0.004 0.000 0.894 676 L HN 0.236 nan 8.230 nan 0.000 0.437 677 K N -1.065 119.299 120.400 -0.059 0.000 3.512 677 K HA -0.178 4.134 4.320 -0.015 0.000 0.309 677 K C 0.243 176.662 176.600 -0.303 0.000 1.350 677 K CA 0.922 56.952 56.287 -0.428 0.000 0.960 677 K CB -1.172 30.896 32.500 -0.721 0.000 1.290 677 K HN 0.645 nan 8.250 nan 0.000 0.454 678 Q N 1.332 121.122 119.800 -0.017 0.000 2.327 678 Q HA 0.363 4.695 4.340 -0.015 0.000 0.254 678 Q C -2.418 173.688 176.000 0.177 0.000 0.952 678 Q CA -1.928 53.895 55.803 0.032 0.000 0.884 678 Q CB 0.814 29.568 28.738 0.027 0.000 1.224 678 Q HN -0.081 nan 8.270 nan 0.000 0.422 679 P HA 0.052 nan 4.420 nan 0.000 0.274 679 P C 0.229 177.560 177.300 0.051 0.000 1.231 679 P CA 0.570 63.775 63.100 0.175 0.000 0.790 679 P CB 0.535 32.296 31.700 0.103 0.000 0.951 680 G N 0.597 109.338 108.800 -0.098 0.000 2.298 680 G HA2 -0.124 3.828 3.960 -0.015 0.000 0.287 680 G HA3 -0.124 3.828 3.960 -0.015 0.000 0.287 680 G C -0.646 174.266 174.900 0.020 0.000 1.075 680 G CA 0.199 45.092 45.100 -0.344 0.000 0.960 680 G HN 0.685 nan 8.290 nan 0.000 0.502 681 L N -0.604 120.822 121.223 0.339 0.000 2.424 681 L HA 0.889 5.220 4.340 -0.015 0.000 0.258 681 L C -0.812 176.224 176.870 0.276 0.000 0.995 681 L CA -1.367 53.620 54.840 0.245 0.000 0.821 681 L CB 2.573 44.727 42.059 0.159 0.000 1.383 681 L HN 0.279 nan 8.230 nan 0.000 0.410 682 V N 3.378 123.387 119.914 0.159 0.000 2.482 682 V HA 0.342 4.454 4.120 -0.015 0.000 0.295 682 V C -0.851 175.269 176.094 0.043 0.000 1.026 682 V CA -0.676 61.672 62.300 0.080 0.000 0.856 682 V CB 1.529 33.398 31.823 0.077 0.000 1.001 682 V HN 0.788 nan 8.190 nan 0.000 0.424 683 D N 4.391 124.800 120.400 0.015 0.000 2.416 683 D HA 0.283 4.914 4.640 -0.015 0.000 0.240 683 D C 1.231 177.523 176.300 -0.014 0.000 1.250 683 D CA 0.631 54.633 54.000 0.004 0.000 0.967 683 D CB 1.563 42.362 40.800 -0.000 0.000 1.059 683 D HN 0.666 nan 8.370 nan 0.000 0.512 684 A N 5.004 127.818 122.820 -0.010 0.000 1.906 684 A HA -0.371 3.940 4.320 -0.015 0.000 0.236 684 A C 1.887 179.435 177.584 -0.059 0.000 1.793 684 A CA 2.308 54.325 52.037 -0.033 0.000 0.813 684 A CB -0.713 18.262 19.000 -0.042 0.000 0.841 684 A HN 0.624 nan 8.150 nan 0.000 0.491 685 E N -0.923 119.236 120.200 -0.068 0.000 2.021 685 E HA -0.183 4.159 4.350 -0.015 0.000 0.200 685 E C 1.915 178.499 176.600 -0.026 0.000 1.015 685 E CA 1.255 57.612 56.400 -0.071 0.000 0.824 685 E CB -0.511 29.141 29.700 -0.079 0.000 0.762 685 E HN 0.503 nan 8.360 nan 0.000 0.454 686 L N 0.536 121.748 121.223 -0.018 0.000 2.082 686 L HA -0.300 4.032 4.340 -0.015 0.000 0.223 686 L C 2.093 178.975 176.870 0.019 0.000 1.086 686 L CA 1.788 56.637 54.840 0.015 0.000 0.793 686 L CB -0.660 41.395 42.059 -0.006 0.000 0.896 686 L HN 0.098 nan 8.230 nan 0.000 0.441 687 V N -0.870 119.025 119.914 -0.030 0.000 2.244 687 V HA -0.295 3.816 4.120 -0.015 0.000 0.244 687 V C 2.541 178.609 176.094 -0.043 0.000 1.042 687 V CA 1.860 64.122 62.300 -0.062 0.000 1.006 687 V CB -0.630 31.142 31.823 -0.084 0.000 0.641 687 V HN 0.469 nan 8.190 nan 0.000 0.446 688 L N -0.115 121.091 121.223 -0.029 0.000 2.034 688 L HA -0.324 4.007 4.340 -0.015 0.000 0.217 688 L C 2.686 179.565 176.870 0.014 0.000 1.077 688 L CA 2.442 57.272 54.840 -0.017 0.000 0.769 688 L CB -0.997 41.037 42.059 -0.043 0.000 0.890 688 L HN 0.513 nan 8.230 nan 0.000 0.435 689 H N 0.321 119.348 119.070 -0.071 0.000 2.319 689 H HA -0.222 4.328 4.556 -0.010 0.000 0.297 689 H C 2.292 177.583 175.328 -0.062 0.000 1.097 689 H CA 2.242 58.252 56.048 -0.064 0.000 1.285 689 H CB -0.130 29.593 29.762 -0.064 0.000 1.368 689 H HN 0.381 nan 8.280 nan 0.000 0.495 690 Q N -0.167 119.499 119.800 -0.222 0.000 2.046 690 Q HA -0.066 4.265 4.340 -0.015 0.000 0.200 690 Q C 2.561 178.438 176.000 -0.206 0.000 0.975 690 Q CA 1.376 57.002 55.803 -0.296 0.000 0.836 690 Q CB -0.083 28.539 28.738 -0.193 0.000 0.896 690 Q HN 0.452 nan 8.270 nan 0.000 0.428 691 L N 0.904 122.046 121.223 -0.136 0.000 2.551 691 L HA -0.205 4.126 4.340 -0.015 0.000 0.230 691 L C 1.840 178.645 176.870 -0.108 0.000 1.163 691 L CA 0.898 55.669 54.840 -0.116 0.000 0.826 691 L CB -0.249 41.760 42.059 -0.083 0.000 0.943 691 L HN 0.306 nan 8.230 nan 0.000 0.452 692 Q N -2.150 117.586 119.800 -0.107 0.000 2.319 692 Q HA 0.020 4.351 4.340 -0.015 0.000 0.202 692 Q C 1.429 177.371 176.000 -0.096 0.000 0.896 692 Q CA 0.155 55.912 55.803 -0.075 0.000 0.942 692 Q CB 0.557 29.281 28.738 -0.023 0.000 1.083 692 Q HN 0.460 nan 8.270 nan 0.000 0.510 693 C N 0.831 120.044 119.300 -0.145 0.000 3.255 693 C HA 0.263 4.714 4.460 -0.015 0.000 0.282 693 C C 1.103 176.007 174.990 -0.143 0.000 1.441 693 C CA -0.212 58.726 59.018 -0.134 0.000 1.785 693 C CB -0.788 26.840 27.740 -0.188 0.000 2.583 693 C HN 0.537 nan 8.230 nan 0.000 0.615 694 N N 0.011 118.614 118.700 -0.161 0.000 3.419 694 N HA 0.294 5.026 4.740 -0.015 0.000 0.224 694 N C 0.586 175.963 175.510 -0.222 0.000 1.114 694 N CA 0.490 53.419 53.050 -0.202 0.000 1.144 694 N CB 0.609 39.003 38.487 -0.156 0.000 1.459 694 N HN 0.225 nan 8.380 nan 0.000 0.632 695 G N 0.811 109.431 108.800 -0.301 0.000 2.160 695 G HA2 0.419 4.370 3.960 -0.015 0.000 0.288 695 G HA3 0.419 4.370 3.960 -0.015 0.000 0.288 695 G C -0.860 173.791 174.900 -0.415 0.000 1.335 695 G CA -0.255 44.539 45.100 -0.509 0.000 1.249 695 G HN 0.240 nan 8.290 nan 0.000 0.614 696 V N 4.053 123.821 119.914 -0.243 0.000 3.359 696 V HA 0.486 4.597 4.120 -0.015 0.000 0.270 696 V C 0.846 176.880 176.094 -0.100 0.000 1.583 696 V CA 0.869 63.075 62.300 -0.156 0.000 1.019 696 V CB -0.743 31.015 31.823 -0.109 0.000 0.831 696 V HN 1.038 nan 8.190 nan 0.000 0.426 705 K N 2.325 122.561 120.400 -0.274 0.000 2.315 705 K HA 0.264 4.575 4.320 -0.015 0.000 0.281 705 K C 0.572 176.889 176.600 -0.472 0.000 1.086 705 K CA 1.045 57.142 56.287 -0.317 0.000 1.042 705 K CB -0.364 31.963 32.500 -0.289 0.000 0.949 705 K HN 0.715 nan 8.250 nan 0.000 0.450 706 G N 2.963 111.638 108.800 -0.208 0.000 2.402 706 G HA2 -0.277 3.674 3.960 -0.015 0.000 0.300 706 G HA3 -0.277 3.674 3.960 -0.015 0.000 0.300 706 G C -0.311 174.593 174.900 0.007 0.000 0.987 706 G CA 0.137 45.175 45.100 -0.103 0.000 0.881 706 G HN 0.377 nan 8.290 nan 0.000 0.512 707 F N 0.324 120.320 119.950 0.076 0.000 2.450 707 F HA 0.595 5.113 4.527 -0.016 0.000 0.328 707 F C -1.406 174.471 175.800 0.129 0.000 1.068 707 F CA -3.230 54.830 58.000 0.100 0.000 1.007 707 F CB 1.125 40.204 39.000 0.132 0.000 1.251 707 F HN -0.088 nan 8.300 nan 0.000 0.492 708 P HA 0.178 nan 4.420 nan 0.000 0.281 708 P C -0.694 176.814 177.300 0.347 0.000 1.252 708 P CA -0.256 63.053 63.100 0.348 0.000 0.778 708 P CB 1.162 33.074 31.700 0.353 0.000 0.895 709 S N 4.084 119.952 115.700 0.279 0.000 2.624 709 S HA 0.584 5.046 4.470 -0.015 0.000 0.263 709 S C 0.169 174.806 174.600 0.062 0.000 1.287 709 S CA -0.436 57.868 58.200 0.174 0.000 0.990 709 S CB 0.655 63.954 63.200 0.166 0.000 0.950 709 S HN 0.420 nan 8.310 nan 0.000 0.561 710 R N -0.427 120.017 120.500 -0.093 0.000 2.855 710 R HA 0.818 5.150 4.340 -0.015 0.000 0.266 710 R C -1.319 174.906 176.300 -0.125 0.000 1.034 710 R CA -0.803 55.100 56.100 -0.327 0.000 0.944 710 R CB 0.742 30.527 30.300 -0.858 0.000 1.219 710 R HN 0.671 nan 8.270 nan 0.000 0.474 711 L N 1.729 122.860 121.223 -0.153 0.000 2.588 711 L HA 0.484 4.815 4.340 -0.015 0.000 0.263 711 L C -0.469 176.354 176.870 -0.079 0.000 0.935 711 L CA -1.036 53.795 54.840 -0.014 0.000 0.891 711 L CB 2.068 44.242 42.059 0.190 0.000 1.318 711 L HN 0.685 nan 8.230 nan 0.000 0.409 712 I N -1.027 119.529 120.570 -0.023 0.000 2.826 712 I HA -0.088 4.073 4.170 -0.015 0.000 0.295 712 I C 0.812 176.982 176.117 0.089 0.000 1.213 712 I CA 0.032 61.331 61.300 -0.002 0.000 1.436 712 I CB 0.122 38.160 38.000 0.063 0.000 1.348 712 I HN 0.571 nan 8.210 nan 0.000 0.570 713 Y N 3.800 124.160 120.300 0.100 0.000 2.219 713 Y HA -0.310 4.232 4.550 -0.014 0.000 0.283 713 Y C 2.809 178.816 175.900 0.178 0.000 1.191 713 Y CA 2.059 60.243 58.100 0.140 0.000 1.199 713 Y CB -0.805 37.713 38.460 0.098 0.000 0.972 713 Y HN 0.908 nan 8.280 nan 0.000 0.527 714 S N 0.136 116.004 115.700 0.281 0.000 2.380 714 S HA -0.299 4.162 4.470 -0.015 0.000 0.217 714 S C 2.419 177.122 174.600 0.171 0.000 1.036 714 S CA 2.098 60.411 58.200 0.189 0.000 1.050 714 S CB -0.709 62.571 63.200 0.134 0.000 1.016 714 S HN 0.550 nan 8.310 nan 0.000 0.419 715 E N 0.008 120.295 120.200 0.145 0.000 2.333 715 E HA -0.175 4.166 4.350 -0.015 0.000 0.200 715 E C 1.692 178.361 176.600 0.116 0.000 1.010 715 E CA 1.573 58.032 56.400 0.098 0.000 0.841 715 E CB -1.216 28.534 29.700 0.083 0.000 0.757 715 E HN 0.758 nan 8.360 nan 0.000 0.508 716 F N 0.900 120.902 119.950 0.086 0.000 2.456 716 F HA 0.152 4.670 4.527 -0.015 0.000 0.298 716 F C 2.644 178.513 175.800 0.114 0.000 1.104 716 F CA 2.070 60.152 58.000 0.137 0.000 1.435 716 F CB -0.179 38.975 39.000 0.258 0.000 1.078 716 F HN 0.308 nan 8.300 nan 0.000 0.546 717 K N -0.096 120.377 120.400 0.123 0.000 2.067 717 K HA -0.032 4.279 4.320 -0.015 0.000 0.203 717 K C 1.853 178.405 176.600 -0.080 0.000 1.048 717 K CA 1.172 57.473 56.287 0.024 0.000 0.954 717 K CB -1.226 31.333 32.500 0.098 0.000 0.737 717 K HN 0.382 nan 8.250 nan 0.000 0.444 718 Q N -0.206 119.561 119.800 -0.056 0.000 2.547 718 Q HA -0.056 4.276 4.340 -0.015 0.000 0.217 718 Q C 1.294 177.186 176.000 -0.181 0.000 0.978 718 Q CA 1.027 56.778 55.803 -0.087 0.000 0.962 718 Q CB 0.117 28.831 28.738 -0.040 0.000 0.990 718 Q HN 0.495 nan 8.270 nan 0.000 0.538 719 R N -1.766 118.548 120.500 -0.311 0.000 2.840 719 R HA 0.050 4.381 4.340 -0.015 0.000 0.173 719 R C 0.064 175.957 176.300 -0.678 0.000 0.791 719 R CA 0.577 56.354 56.100 -0.539 0.000 1.069 719 R CB 0.107 29.956 30.300 -0.752 0.000 1.537 719 R HN 0.065 nan 8.270 nan 0.000 0.609 720 Y N 1.542 121.582 120.300 -0.434 0.000 2.681 720 Y HA 0.340 4.881 4.550 -0.015 0.000 0.267 720 Y C 1.441 177.127 175.900 -0.358 0.000 1.166 720 Y CA 0.099 57.905 58.100 -0.489 0.000 1.209 720 Y CB 0.597 38.531 38.460 -0.878 0.000 1.161 720 Y HN 0.190 nan 8.280 nan 0.000 0.534 721 S N -0.479 115.137 115.700 -0.140 0.000 2.377 721 S HA -0.149 4.312 4.470 -0.015 0.000 0.223 721 S C 1.932 176.509 174.600 -0.039 0.000 1.030 721 S CA 0.650 58.809 58.200 -0.068 0.000 0.970 721 S CB -0.602 62.566 63.200 -0.053 0.000 0.830 721 S HN 0.567 nan 8.310 nan 0.000 0.473 722 I N 0.899 121.441 120.570 -0.046 0.000 2.761 722 I HA -0.127 4.034 4.170 -0.015 0.000 0.266 722 I C 1.941 178.051 176.117 -0.012 0.000 1.239 722 I CA 0.974 62.256 61.300 -0.030 0.000 1.451 722 I CB -0.095 37.883 38.000 -0.036 0.000 1.096 722 I HN 0.347 nan 8.210 nan 0.000 0.465 723 L N 0.733 121.952 121.223 -0.006 0.000 2.131 723 L HA 0.092 4.423 4.340 -0.015 0.000 0.206 723 L C 1.137 178.006 176.870 -0.002 0.000 1.087 723 L CA 0.809 55.647 54.840 -0.003 0.000 0.767 723 L CB -0.055 41.996 42.059 -0.013 0.000 0.917 723 L HN 0.309 nan 8.230 nan 0.000 0.441 724 A N -0.696 122.126 122.820 0.004 0.000 2.709 724 A HA 0.469 4.780 4.320 -0.015 0.000 0.332 724 A C -2.025 175.566 177.584 0.012 0.000 1.241 724 A CA -1.000 51.045 52.037 0.014 0.000 0.782 724 A CB 0.143 19.161 19.000 0.030 0.000 1.109 724 A HN 0.006 nan 8.150 nan 0.000 0.472 725 P HA -0.066 nan 4.420 nan 0.000 0.236 725 P C -0.301 177.003 177.300 0.006 0.000 1.172 725 P CA 0.788 63.890 63.100 0.003 0.000 0.759 725 P CB -0.152 31.549 31.700 0.001 0.000 0.843 726 N N -0.263 118.444 118.700 0.012 0.000 2.546 726 N HA 0.421 5.152 4.740 -0.015 0.000 0.238 726 N C 0.106 175.625 175.510 0.015 0.000 0.984 726 N CA -0.452 52.605 53.050 0.012 0.000 0.935 726 N CB 2.039 40.534 38.487 0.013 0.000 1.122 726 N HN -0.084 nan 8.380 nan 0.000 0.510 727 A N 3.115 125.942 122.820 0.012 0.000 1.848 727 A HA 0.377 4.688 4.320 -0.015 0.000 0.184 727 A C 0.585 178.175 177.584 0.010 0.000 1.946 727 A CA 0.024 52.069 52.037 0.014 0.000 1.093 727 A CB 0.123 19.133 19.000 0.017 0.000 1.014 727 A HN 0.452 nan 8.150 nan 0.000 0.638 735 G N 1.305 110.126 108.800 0.035 0.000 3.133 735 G HA2 -0.475 3.476 3.960 -0.015 0.000 0.357 735 G HA3 -0.475 3.476 3.960 -0.015 0.000 0.357 735 G C 1.635 176.575 174.900 0.067 0.000 1.229 735 G CA 1.556 46.694 45.100 0.063 0.000 1.018 735 G HN 1.025 nan 8.290 nan 0.000 0.635 736 K N 1.106 121.502 120.400 -0.007 0.000 2.365 736 K HA 0.109 4.420 4.320 -0.015 0.000 0.199 736 K C 2.720 179.163 176.600 -0.261 0.000 1.045 736 K CA 1.735 57.891 56.287 -0.218 0.000 0.962 736 K CB -0.143 32.094 32.500 -0.438 0.000 0.759 736 K HN 0.680 nan 8.250 nan 0.000 0.469 737 T N -2.350 112.137 114.554 -0.112 0.000 3.044 737 T HA 0.031 4.372 4.350 -0.015 0.000 0.255 737 T C 2.013 176.714 174.700 0.001 0.000 1.073 737 T CA 0.156 62.211 62.100 -0.075 0.000 1.125 737 T CB -0.272 68.565 68.868 -0.051 0.000 0.908 737 T HN -0.122 nan 8.240 nan 0.000 0.480 738 V N 2.178 122.112 119.914 0.034 0.000 2.231 738 V HA -0.210 3.901 4.120 -0.015 0.000 0.248 738 V C 3.071 179.250 176.094 0.141 0.000 1.054 738 V CA 2.381 64.725 62.300 0.074 0.000 1.015 738 V CB -1.088 30.781 31.823 0.077 0.000 0.638 738 V HN 0.520 nan 8.190 nan 0.000 0.444 739 S N -0.987 114.852 115.700 0.232 0.000 2.368 739 S HA -0.238 4.224 4.470 -0.015 0.000 0.225 739 S C 2.017 176.797 174.600 0.300 0.000 1.030 739 S CA 1.511 59.984 58.200 0.455 0.000 0.999 739 S CB -0.412 63.208 63.200 0.700 0.000 0.844 739 S HN 0.730 nan 8.310 nan 0.000 0.459 740 E N 1.275 121.556 120.200 0.134 0.000 2.233 740 E HA -0.277 4.065 4.350 -0.015 0.000 0.199 740 E C 1.994 178.648 176.600 0.091 0.000 1.004 740 E CA 1.639 58.077 56.400 0.062 0.000 0.819 740 E CB -0.126 29.540 29.700 -0.057 0.000 0.738 740 E HN 0.552 nan 8.360 nan 0.000 0.478 741 K N 0.881 121.341 120.400 0.100 0.000 2.102 741 K HA 0.063 4.375 4.320 -0.015 0.000 0.208 741 K C 2.010 178.672 176.600 0.103 0.000 1.027 741 K CA 0.835 57.173 56.287 0.084 0.000 0.958 741 K CB -1.174 31.363 32.500 0.062 0.000 0.819 741 K HN 0.167 nan 8.250 nan 0.000 0.453 742 I N 1.603 122.251 120.570 0.130 0.000 2.322 742 I HA -0.461 3.700 4.170 -0.015 0.000 0.235 742 I C 3.050 179.235 176.117 0.114 0.000 0.967 742 I CA 2.689 64.067 61.300 0.130 0.000 1.260 742 I CB -1.507 36.606 38.000 0.189 0.000 0.968 742 I HN 0.410 nan 8.210 nan 0.000 0.398 743 L N 0.521 121.832 121.223 0.147 0.000 1.990 743 L HA -0.207 4.124 4.340 -0.015 0.000 0.213 743 L C 2.973 179.854 176.870 0.019 0.000 1.072 743 L CA 3.177 58.041 54.840 0.039 0.000 0.755 743 L CB -2.063 39.927 42.059 -0.115 0.000 0.889 743 L HN 0.478 nan 8.230 nan 0.000 0.432 744 A N -0.150 122.701 122.820 0.052 0.000 1.896 744 A HA -0.122 4.189 4.320 -0.015 0.000 0.220 744 A C 2.823 180.433 177.584 0.044 0.000 1.206 744 A CA 2.769 54.842 52.037 0.061 0.000 0.647 744 A CB -1.615 17.425 19.000 0.066 0.000 0.828 744 A HN 1.249 nan 8.150 nan 0.000 0.455 745 G N -1.337 107.489 108.800 0.042 0.000 2.443 745 G HA2 0.014 3.965 3.960 -0.015 0.000 0.219 745 G HA3 0.014 3.965 3.960 -0.015 0.000 0.219 745 G C 1.207 176.122 174.900 0.026 0.000 1.131 745 G CA 0.884 46.004 45.100 0.033 0.000 0.775 745 G HN 0.434 nan 8.290 nan 0.000 0.547 746 L N 0.486 121.724 121.223 0.025 0.000 2.675 746 L HA 0.174 4.506 4.340 -0.015 0.000 0.238 746 L C 1.352 178.227 176.870 0.009 0.000 1.155 746 L CA 0.556 55.403 54.840 0.013 0.000 0.881 746 L CB -0.483 41.582 42.059 0.009 0.000 1.008 746 L HN 0.384 nan 8.230 nan 0.000 0.443 747 Q N -1.418 118.393 119.800 0.018 0.000 2.481 747 Q HA -0.280 4.051 4.340 -0.015 0.000 0.272 747 Q C 0.381 176.397 176.000 0.026 0.000 1.157 747 Q CA 0.719 56.537 55.803 0.024 0.000 0.935 747 Q CB -1.543 27.207 28.738 0.021 0.000 1.338 747 Q HN 0.481 nan 8.270 nan 0.000 0.494 748 M N 1.559 121.165 119.600 0.011 0.000 2.284 748 M HA 0.031 4.502 4.480 -0.015 0.000 0.351 748 M C -0.064 176.289 176.300 0.088 0.000 1.443 748 M CA 0.680 55.978 55.300 -0.004 0.000 1.031 748 M CB 0.524 33.017 32.600 -0.177 0.000 1.893 748 M HN 0.108 nan 8.290 nan 0.000 0.456 749 D N 7.604 128.067 120.400 0.105 0.000 2.434 749 D HA 0.099 4.731 4.640 -0.015 0.000 0.252 749 D C -1.528 174.918 176.300 0.244 0.000 1.185 749 D CA -1.039 53.042 54.000 0.135 0.000 0.886 749 D CB 0.957 41.823 40.800 0.110 0.000 1.148 749 D HN 0.446 nan 8.370 nan 0.000 0.483 750 P HA -0.194 nan 4.420 nan 0.000 0.222 750 P C 0.574 177.792 177.300 -0.137 0.000 1.142 750 P CA 0.818 63.981 63.100 0.105 0.000 0.788 750 P CB 0.188 31.871 31.700 -0.029 0.000 0.767 751 A N 0.121 122.926 122.820 -0.026 0.000 2.081 751 A HA -0.024 4.287 4.320 -0.015 0.000 0.214 751 A C 2.092 179.655 177.584 -0.035 0.000 1.158 751 A CA 0.444 52.425 52.037 -0.094 0.000 0.724 751 A CB -0.779 18.242 19.000 0.036 0.000 0.826 751 A HN 0.104 nan 8.150 nan 0.000 0.463 752 E N -1.366 118.935 120.200 0.169 0.000 2.401 752 E HA -0.083 4.258 4.350 -0.015 0.000 0.199 752 E C -0.186 176.583 176.600 0.283 0.000 1.023 752 E CA 0.769 57.344 56.400 0.292 0.000 0.859 752 E CB -0.121 29.753 29.700 0.289 0.000 0.780 752 E HN 0.847 nan 8.360 nan 0.000 0.523 753 Y N -2.429 117.677 120.300 -0.323 0.000 2.689 753 Y HA 0.615 5.156 4.550 -0.015 0.000 0.333 753 Y C -1.327 174.114 175.900 -0.764 0.000 1.208 753 Y CA -1.822 55.934 58.100 -0.572 0.000 1.055 753 Y CB 0.904 38.962 38.460 -0.669 0.000 1.304 753 Y HN -0.378 nan 8.280 nan 0.000 0.455 754 R N 1.540 121.515 120.500 -0.875 0.000 2.651 754 R HA 0.500 4.831 4.340 -0.015 0.000 0.278 754 R C -1.663 174.379 176.300 -0.430 0.000 1.010 754 R CA -0.908 54.686 56.100 -0.844 0.000 0.896 754 R CB 2.267 31.954 30.300 -1.021 0.000 1.211 754 R HN 0.899 nan 8.270 nan 0.000 0.456 755 L N 2.194 123.243 121.223 -0.291 0.000 2.701 755 L HA 0.331 4.663 4.340 -0.015 0.000 0.237 755 L C 1.114 178.044 176.870 0.099 0.000 1.204 755 L CA -0.484 54.366 54.840 0.016 0.000 1.109 755 L CB 0.973 43.104 42.059 0.119 0.000 1.409 755 L HN 0.714 nan 8.230 nan 0.000 0.428 756 G N -0.167 108.648 108.800 0.026 0.000 2.699 756 G HA2 0.126 4.077 3.960 -0.015 0.000 0.246 756 G HA3 0.126 4.077 3.960 -0.015 0.000 0.246 756 G C 1.110 176.151 174.900 0.235 0.000 1.219 756 G CA 0.183 45.313 45.100 0.051 0.000 0.866 756 G HN 0.528 nan 8.290 nan 0.000 0.572 757 T N -2.460 112.215 114.554 0.202 0.000 3.035 757 T HA -0.046 4.295 4.350 -0.015 0.000 0.268 757 T C 1.886 176.779 174.700 0.322 0.000 1.109 757 T CA 1.675 63.946 62.100 0.285 0.000 1.119 757 T CB -0.051 68.901 68.868 0.140 0.000 0.900 757 T HN 0.379 nan 8.240 nan 0.000 0.503 758 T N 0.102 114.765 114.554 0.182 0.000 3.042 758 T HA 0.472 4.813 4.350 -0.015 0.000 0.245 758 T C 0.831 175.494 174.700 -0.062 0.000 1.029 758 T CA 0.748 62.921 62.100 0.122 0.000 1.120 758 T CB 0.135 69.054 68.868 0.085 0.000 0.917 758 T HN 0.774 nan 8.240 nan 0.000 0.467 759 K N 0.761 120.989 120.400 -0.286 0.000 2.430 759 K HA 0.799 5.110 4.320 -0.015 0.000 0.268 759 K C -1.331 174.799 176.600 -0.785 0.000 1.043 759 K CA -0.794 55.134 56.287 -0.600 0.000 0.899 759 K CB 0.890 33.149 32.500 -0.402 0.000 1.472 759 K HN -0.002 nan 8.250 nan 0.000 0.451 760 V N 1.091 120.582 119.914 -0.704 0.000 2.483 760 V HA 0.700 4.811 4.120 -0.015 0.000 0.295 760 V C -1.078 174.778 176.094 -0.398 0.000 1.035 760 V CA -0.785 61.207 62.300 -0.512 0.000 0.896 760 V CB 0.800 32.278 31.823 -0.575 0.000 0.986 760 V HN 0.670 nan 8.190 nan 0.000 0.447 761 F N 4.284 123.985 119.950 -0.415 0.000 2.388 761 F HA 0.682 5.200 4.527 -0.016 0.000 0.358 761 F C -0.161 175.508 175.800 -0.219 0.000 1.122 761 F CA -0.650 57.251 58.000 -0.165 0.000 1.056 761 F CB 0.982 39.953 39.000 -0.048 0.000 1.155 761 F HN 0.281 nan 8.300 nan 0.000 0.461 762 F N 2.130 122.245 119.950 0.275 0.000 2.497 762 F HA 0.433 4.951 4.527 -0.015 0.000 0.331 762 F C 1.205 177.225 175.800 0.366 0.000 1.060 762 F CA -0.794 57.371 58.000 0.276 0.000 0.989 762 F CB 1.706 40.785 39.000 0.133 0.000 1.245 762 F HN 0.417 nan 8.300 nan 0.000 0.486 763 K N 0.139 120.878 120.400 0.565 0.000 2.240 763 K HA 0.566 4.877 4.320 -0.015 0.000 0.202 763 K C 0.831 177.599 176.600 0.281 0.000 1.053 763 K CA 0.863 57.413 56.287 0.439 0.000 0.973 763 K CB 0.129 32.929 32.500 0.500 0.000 0.924 763 K HN 0.565 nan 8.250 nan 0.000 0.477 764 A N 0.788 123.747 122.820 0.233 0.000 1.949 764 A HA 0.439 4.750 4.320 -0.015 0.000 0.200 764 A C 1.781 179.435 177.584 0.117 0.000 2.254 764 A CA 0.276 52.406 52.037 0.154 0.000 1.206 764 A CB -0.163 18.911 19.000 0.123 0.000 1.110 764 A HN 0.354 nan 8.150 nan 0.000 0.628 765 G N -0.340 108.512 108.800 0.088 0.000 3.735 765 G HA2 0.395 4.347 3.960 -0.015 0.000 0.283 765 G HA3 0.395 4.347 3.960 -0.015 0.000 0.283 765 G C 0.881 175.792 174.900 0.019 0.000 1.007 765 G CA 0.846 45.974 45.100 0.045 0.000 0.821 765 G HN 0.321 nan 8.290 nan 0.000 0.505 766 V N 0.791 120.743 119.914 0.062 0.000 2.282 766 V HA -0.239 3.872 4.120 -0.015 0.000 0.249 766 V C 2.613 178.620 176.094 -0.145 0.000 1.057 766 V CA 1.751 64.072 62.300 0.034 0.000 1.032 766 V CB -0.749 31.198 31.823 0.207 0.000 0.645 766 V HN 0.377 nan 8.190 nan 0.000 0.447 767 L N 1.759 122.884 121.223 -0.164 0.000 1.970 767 L HA -0.036 4.296 4.340 -0.015 0.000 0.212 767 L C 2.513 179.283 176.870 -0.167 0.000 1.071 767 L CA 2.539 57.217 54.840 -0.270 0.000 0.751 767 L CB -1.478 40.523 42.059 -0.097 0.000 0.889 767 L HN 0.301 nan 8.230 nan 0.000 0.432 768 G N -1.114 107.650 108.800 -0.060 0.000 2.469 768 G HA2 -0.363 3.588 3.960 -0.015 0.000 0.220 768 G HA3 -0.363 3.588 3.960 -0.015 0.000 0.220 768 G C 1.500 176.365 174.900 -0.059 0.000 1.136 768 G CA 1.133 46.214 45.100 -0.031 0.000 0.759 768 G HN 0.599 nan 8.290 nan 0.000 0.562 769 N N -0.344 118.309 118.700 -0.079 0.000 2.244 769 N HA 0.004 4.735 4.740 -0.015 0.000 0.183 769 N C 2.212 177.638 175.510 -0.141 0.000 1.016 769 N CA 0.368 53.370 53.050 -0.080 0.000 0.866 769 N CB -0.088 38.363 38.487 -0.060 0.000 0.980 769 N HN 0.298 nan 8.380 nan 0.000 0.430 770 L N 1.057 122.122 121.223 -0.263 0.000 1.988 770 L HA -0.124 4.207 4.340 -0.015 0.000 0.207 770 L C 2.432 179.146 176.870 -0.259 0.000 1.071 770 L CA 0.947 55.519 54.840 -0.447 0.000 0.744 770 L CB -0.519 40.928 42.059 -1.019 0.000 0.893 770 L HN 0.092 nan 8.230 nan 0.000 0.433 771 E N 0.284 120.411 120.200 -0.122 0.000 2.086 771 E HA -0.288 4.053 4.350 -0.015 0.000 0.205 771 E C 2.046 178.663 176.600 0.028 0.000 1.027 771 E CA 1.394 57.843 56.400 0.082 0.000 0.830 771 E CB -0.224 29.521 29.700 0.076 0.000 0.751 771 E HN 0.362 nan 8.360 nan 0.000 0.456 772 E N -0.176 120.016 120.200 -0.014 0.000 2.058 772 E HA -0.164 4.177 4.350 -0.015 0.000 0.194 772 E C 2.217 178.807 176.600 -0.017 0.000 0.997 772 E CA 1.056 57.448 56.400 -0.012 0.000 0.801 772 E CB -0.112 29.576 29.700 -0.019 0.000 0.746 772 E HN 0.291 nan 8.360 nan 0.000 0.450 773 M N -0.253 119.322 119.600 -0.043 0.000 2.086 773 M HA -0.169 4.302 4.480 -0.015 0.000 0.261 773 M C 2.548 178.838 176.300 -0.016 0.000 1.067 773 M CA 1.345 56.621 55.300 -0.039 0.000 1.116 773 M CB -0.345 32.212 32.600 -0.072 0.000 1.348 773 M HN -0.004 nan 8.290 nan 0.000 0.407 774 R N 0.898 121.399 120.500 0.002 0.000 2.097 774 R HA -0.210 4.121 4.340 -0.015 0.000 0.236 774 R C 1.686 178.002 176.300 0.026 0.000 1.135 774 R CA 2.314 58.443 56.100 0.049 0.000 0.934 774 R CB -0.410 29.985 30.300 0.158 0.000 0.846 774 R HN 0.341 nan 8.270 nan 0.000 0.431 775 D N -0.324 120.091 120.400 0.025 0.000 2.182 775 D HA -0.183 4.449 4.640 -0.015 0.000 0.201 775 D C 2.043 178.348 176.300 0.008 0.000 0.986 775 D CA 1.764 55.772 54.000 0.013 0.000 0.847 775 D CB -0.037 40.770 40.800 0.012 0.000 0.942 775 D HN 0.655 nan 8.370 nan 0.000 0.467 776 E N 1.610 121.813 120.200 0.005 0.000 2.046 776 E HA -0.147 4.194 4.350 -0.015 0.000 0.190 776 E C 2.139 178.742 176.600 0.005 0.000 0.982 776 E CA 0.685 57.087 56.400 0.003 0.000 0.800 776 E CB -0.356 29.344 29.700 -0.000 0.000 0.756 776 E HN 0.031 nan 8.360 nan 0.000 0.449 777 R N -0.345 120.157 120.500 0.004 0.000 2.075 777 R HA -0.023 4.308 4.340 -0.015 0.000 0.230 777 R C 2.599 178.903 176.300 0.006 0.000 1.140 777 R CA 1.371 57.474 56.100 0.005 0.000 0.928 777 R CB -1.389 28.913 30.300 0.002 0.000 0.834 777 R HN 0.501 nan 8.270 nan 0.000 0.429 778 L N 0.816 122.042 121.223 0.004 0.000 2.123 778 L HA -0.240 4.091 4.340 -0.015 0.000 0.217 778 L C 2.224 179.099 176.870 0.008 0.000 1.081 778 L CA 2.331 57.171 54.840 -0.001 0.000 0.772 778 L CB -0.650 41.405 42.059 -0.006 0.000 0.890 778 L HN 0.122 nan 8.230 nan 0.000 0.437 779 S N -1.586 114.121 115.700 0.011 0.000 2.461 779 S HA -0.115 4.346 4.470 -0.015 0.000 0.228 779 S C 1.991 176.605 174.600 0.024 0.000 1.005 779 S CA 0.990 59.200 58.200 0.017 0.000 0.942 779 S CB -0.194 63.014 63.200 0.013 0.000 0.776 779 S HN 0.571 nan 8.310 nan 0.000 0.514 780 K N 0.740 121.152 120.400 0.021 0.000 2.044 780 K HA 0.088 4.399 4.320 -0.015 0.000 0.204 780 K C 1.880 178.503 176.600 0.038 0.000 1.049 780 K CA 1.138 57.439 56.287 0.024 0.000 0.945 780 K CB -0.230 32.280 32.500 0.017 0.000 0.724 780 K HN 0.331 nan 8.250 nan 0.000 0.440 781 I N 1.493 122.085 120.570 0.037 0.000 2.113 781 I HA -0.370 3.791 4.170 -0.015 0.000 0.242 781 I C 2.274 178.447 176.117 0.094 0.000 1.064 781 I CA 1.519 62.851 61.300 0.053 0.000 1.320 781 I CB -0.324 37.692 38.000 0.025 0.000 1.028 781 I HN 0.225 nan 8.210 nan 0.000 0.406 782 I N 0.226 120.843 120.570 0.078 0.000 2.185 782 I HA -0.372 3.790 4.170 -0.015 0.000 0.246 782 I C 2.580 178.776 176.117 0.132 0.000 1.088 782 I CA 1.650 63.020 61.300 0.116 0.000 1.347 782 I CB -0.376 37.668 38.000 0.073 0.000 1.041 782 I HN 0.265 nan 8.210 nan 0.000 0.415 783 S N 0.501 116.250 115.700 0.081 0.000 2.355 783 S HA -0.131 4.330 4.470 -0.015 0.000 0.222 783 S C 1.981 176.622 174.600 0.068 0.000 1.031 783 S CA 1.272 59.507 58.200 0.058 0.000 0.993 783 S CB -0.197 63.022 63.200 0.033 0.000 0.859 783 S HN 0.356 nan 8.310 nan 0.000 0.453 784 M N 0.451 120.102 119.600 0.085 0.000 2.065 784 M HA -0.118 4.353 4.480 -0.015 0.000 0.259 784 M C 2.089 178.492 176.300 0.171 0.000 1.069 784 M CA 1.582 56.935 55.300 0.089 0.000 1.110 784 M CB -0.978 31.676 32.600 0.090 0.000 1.328 784 M HN 0.331 nan 8.290 nan 0.000 0.405 785 F N 1.626 121.613 119.950 0.062 0.000 2.307 785 F HA -0.192 4.327 4.527 -0.015 0.000 0.301 785 F C 2.252 178.101 175.800 0.082 0.000 1.076 785 F CA 1.513 59.569 58.000 0.093 0.000 1.383 785 F CB -0.355 38.673 39.000 0.047 0.000 1.055 785 F HN 0.228 nan 8.300 nan 0.000 0.526 786 Q N -0.535 119.260 119.800 -0.008 0.000 2.163 786 Q HA 0.029 4.361 4.340 -0.015 0.000 0.198 786 Q C 2.442 178.385 176.000 -0.095 0.000 0.954 786 Q CA 1.005 56.734 55.803 -0.124 0.000 0.851 786 Q CB -0.358 28.362 28.738 -0.030 0.000 0.928 786 Q HN 0.436 nan 8.270 nan 0.000 0.459 787 A N 0.024 122.822 122.820 -0.037 0.000 2.067 787 A HA -0.191 4.120 4.320 -0.015 0.000 0.219 787 A C 1.498 179.061 177.584 -0.033 0.000 1.158 787 A CA 1.255 53.268 52.037 -0.041 0.000 0.661 787 A CB -0.551 18.420 19.000 -0.048 0.000 0.801 787 A HN 0.391 nan 8.150 nan 0.000 0.452 788 H N -0.804 118.218 119.070 -0.081 0.000 2.363 788 H HA 0.068 4.615 4.556 -0.015 0.000 0.301 788 H C 1.899 177.160 175.328 -0.112 0.000 1.074 788 H CA 1.361 57.372 56.048 -0.062 0.000 1.354 788 H CB 0.006 29.754 29.762 -0.024 0.000 1.397 788 H HN 0.463 nan 8.280 nan 0.000 0.516 789 I N -0.028 120.459 120.570 -0.138 0.000 2.202 789 I HA -0.246 3.916 4.170 -0.015 0.000 0.242 789 I C 2.606 178.680 176.117 -0.072 0.000 1.091 789 I CA 1.000 62.161 61.300 -0.232 0.000 1.368 789 I CB -0.232 37.549 38.000 -0.366 0.000 1.058 789 I HN 0.199 nan 8.210 nan 0.000 0.410 790 R N 0.776 121.243 120.500 -0.056 0.000 2.083 790 R HA -0.156 4.175 4.340 -0.015 0.000 0.237 790 R C 2.315 178.636 176.300 0.035 0.000 1.137 790 R CA 1.770 57.862 56.100 -0.014 0.000 0.951 790 R CB -0.587 29.698 30.300 -0.026 0.000 0.851 790 R HN 0.448 nan 8.270 nan 0.000 0.434 791 G N -0.957 107.871 108.800 0.046 0.000 2.484 791 G HA2 -0.283 3.669 3.960 -0.015 0.000 0.218 791 G HA3 -0.283 3.669 3.960 -0.015 0.000 0.218 791 G C 1.113 176.084 174.900 0.119 0.000 1.130 791 G CA 0.337 45.469 45.100 0.054 0.000 0.784 791 G HN 0.394 nan 8.290 nan 0.000 0.543 792 Y N 1.188 121.495 120.300 0.012 0.000 2.163 792 Y HA 0.019 4.560 4.550 -0.015 0.000 0.288 792 Y C 2.456 178.354 175.900 -0.003 0.000 1.136 792 Y CA 1.055 59.161 58.100 0.009 0.000 1.147 792 Y CB -0.418 38.037 38.460 -0.008 0.000 0.987 792 Y HN 0.106 nan 8.280 nan 0.000 0.509 793 L N -0.281 121.184 121.223 0.404 0.000 1.970 793 L HA -0.280 4.052 4.340 -0.015 0.000 0.212 793 L C 2.385 179.334 176.870 0.132 0.000 1.071 793 L CA 1.255 56.252 54.840 0.262 0.000 0.751 793 L CB -0.822 41.315 42.059 0.129 0.000 0.889 793 L HN 0.219 nan 8.230 nan 0.000 0.432 794 I N -0.071 120.552 120.570 0.089 0.000 2.597 794 I HA -0.303 3.858 4.170 -0.015 0.000 0.262 794 I C 2.543 178.694 176.117 0.057 0.000 1.194 794 I CA 1.601 62.940 61.300 0.065 0.000 1.437 794 I CB -0.987 37.036 38.000 0.037 0.000 1.096 794 I HN 0.357 nan 8.210 nan 0.000 0.451 795 R N -0.091 120.416 120.500 0.012 0.000 2.175 795 R HA -0.069 4.262 4.340 -0.015 0.000 0.202 795 R C 2.153 178.442 176.300 -0.018 0.000 1.018 795 R CA 0.252 56.321 56.100 -0.051 0.000 1.029 795 R CB 0.013 30.228 30.300 -0.142 0.000 0.959 795 R HN 0.074 nan 8.270 nan 0.000 0.480 796 K N 1.820 122.199 120.400 -0.034 0.000 1.985 796 K HA -0.044 4.268 4.320 -0.015 0.000 0.210 796 K C 0.874 177.506 176.600 0.054 0.000 1.047 796 K CA 1.841 58.118 56.287 -0.017 0.000 0.932 796 K CB -0.306 32.233 32.500 0.065 0.000 0.716 796 K HN 0.077 nan 8.250 nan 0.000 0.439 797 A N -0.052 122.816 122.820 0.080 0.000 3.074 797 A HA 0.121 4.432 4.320 -0.015 0.000 0.251 797 A C 0.463 178.121 177.584 0.124 0.000 1.695 797 A CA -0.153 51.931 52.037 0.078 0.000 1.343 797 A CB -0.972 18.066 19.000 0.064 0.000 1.078 797 A HN 0.588 nan 8.150 nan 0.000 0.644 798 Y N -0.634 119.656 120.300 -0.018 0.000 2.512 798 Y HA 0.237 4.778 4.550 -0.015 0.000 0.268 798 Y C 1.799 177.688 175.900 -0.019 0.000 1.102 798 Y CA 0.784 58.872 58.100 -0.019 0.000 1.261 798 Y CB 0.373 38.818 38.460 -0.026 0.000 1.250 798 Y HN 0.352 nan 8.280 nan 0.000 0.506 799 K N 0.190 120.585 120.400 -0.009 0.000 2.262 799 K HA -0.063 4.248 4.320 -0.015 0.000 0.200 799 K C 1.748 178.287 176.600 -0.102 0.000 1.049 799 K CA 0.708 56.944 56.287 -0.084 0.000 0.979 799 K CB 0.255 32.751 32.500 -0.006 0.000 0.773 799 K HN -0.003 nan 8.250 nan 0.000 0.474 800 K N 1.170 121.533 120.400 -0.061 0.000 2.155 800 K HA -0.042 4.269 4.320 -0.015 0.000 0.203 800 K C 1.897 178.445 176.600 -0.087 0.000 1.052 800 K CA 0.470 56.724 56.287 -0.055 0.000 0.948 800 K CB -0.233 32.252 32.500 -0.025 0.000 0.728 800 K HN 0.057 nan 8.250 nan 0.000 0.448 801 L N 1.045 122.195 121.223 -0.121 0.000 2.046 801 L HA -0.170 4.162 4.340 -0.015 0.000 0.208 801 L C 1.801 178.547 176.870 -0.206 0.000 1.077 801 L CA 1.896 56.644 54.840 -0.153 0.000 0.747 801 L CB -0.795 41.158 42.059 -0.177 0.000 0.896 801 L HN 0.381 nan 8.230 nan 0.000 0.432 802 Q N -0.778 118.845 119.800 -0.296 0.000 2.083 802 Q HA -0.162 4.170 4.340 -0.015 0.000 0.198 802 Q C 1.743 177.656 176.000 -0.144 0.000 0.969 802 Q CA 1.498 57.149 55.803 -0.254 0.000 0.838 802 Q CB 0.060 28.611 28.738 -0.313 0.000 0.900 802 Q HN 0.551 nan 8.270 nan 0.000 0.436 803 D N 0.925 121.255 120.400 -0.116 0.000 2.097 803 D HA -0.172 4.459 4.640 -0.015 0.000 0.195 803 D C 1.966 178.226 176.300 -0.067 0.000 0.989 803 D CA 1.127 55.081 54.000 -0.077 0.000 0.827 803 D CB -0.250 40.513 40.800 -0.060 0.000 0.966 803 D HN 0.296 nan 8.370 nan 0.000 0.456 804 Q N 0.354 120.113 119.800 -0.069 0.000 2.112 804 Q HA -0.177 4.154 4.340 -0.015 0.000 0.206 804 Q C 2.279 178.246 176.000 -0.056 0.000 0.987 804 Q CA 1.023 56.793 55.803 -0.056 0.000 0.858 804 Q CB -0.245 28.462 28.738 -0.052 0.000 0.905 804 Q HN 0.250 nan 8.270 nan 0.000 0.420 805 R N 0.809 121.268 120.500 -0.068 0.000 2.170 805 R HA -0.153 4.178 4.340 -0.015 0.000 0.242 805 R C 1.945 178.215 176.300 -0.051 0.000 1.145 805 R CA 1.053 57.117 56.100 -0.059 0.000 0.984 805 R CB -0.110 30.148 30.300 -0.070 0.000 0.869 805 R HN 0.284 nan 8.270 nan 0.000 0.455 806 I N -0.511 120.027 120.570 -0.053 0.000 2.333 806 I HA -0.065 4.096 4.170 -0.015 0.000 0.246 806 I C 2.430 178.523 176.117 -0.041 0.000 1.106 806 I CA 1.033 62.306 61.300 -0.045 0.000 1.411 806 I CB -0.447 37.526 38.000 -0.045 0.000 1.082 806 I HN 0.343 nan 8.210 nan 0.000 0.420 807 G N 1.149 109.924 108.800 -0.043 0.000 2.446 807 G HA2 -0.262 3.689 3.960 -0.015 0.000 0.217 807 G HA3 -0.262 3.689 3.960 -0.015 0.000 0.217 807 G C 1.518 176.394 174.900 -0.039 0.000 1.168 807 G CA 0.425 45.501 45.100 -0.041 0.000 0.771 807 G HN 0.264 nan 8.290 nan 0.000 0.551 808 L N 0.800 122.000 121.223 -0.038 0.000 2.650 808 L HA 0.319 4.650 4.340 -0.015 0.000 0.235 808 L C 2.158 179.009 176.870 -0.032 0.000 1.149 808 L CA 0.799 55.618 54.840 -0.034 0.000 0.887 808 L CB 0.212 42.252 42.059 -0.031 0.000 1.021 808 L HN 0.097 nan 8.230 nan 0.000 0.441 809 S N -2.618 113.062 115.700 -0.033 0.000 2.527 809 S HA 0.083 4.544 4.470 -0.015 0.000 0.227 809 S C 1.650 176.231 174.600 -0.031 0.000 1.059 809 S CA 0.479 58.661 58.200 -0.030 0.000 0.919 809 S CB 0.353 63.535 63.200 -0.030 0.000 0.805 809 S HN 0.215 nan 8.310 nan 0.000 0.500 810 V N 2.259 122.152 119.914 -0.036 0.000 2.379 810 V HA 0.011 4.123 4.120 -0.015 0.000 0.245 810 V C 1.613 177.680 176.094 -0.044 0.000 1.044 810 V CA 1.436 63.713 62.300 -0.039 0.000 1.036 810 V CB -0.428 31.371 31.823 -0.041 0.000 0.664 810 V HN 0.465 nan 8.190 nan 0.000 0.453 811 I N -0.794 119.749 120.570 -0.046 0.000 3.564 811 I HA -0.050 4.112 4.170 -0.015 0.000 0.294 811 I C 2.074 178.165 176.117 -0.043 0.000 1.289 811 I CA 0.592 61.859 61.300 -0.054 0.000 1.325 811 I CB -0.163 37.803 38.000 -0.058 0.000 1.039 811 I HN 0.380 nan 8.210 nan 0.000 0.474 812 Q N 0.430 120.212 119.800 -0.030 0.000 2.530 812 Q HA 0.060 4.391 4.340 -0.015 0.000 0.198 812 Q C 2.174 178.169 176.000 -0.009 0.000 0.956 812 Q CA -0.002 55.791 55.803 -0.017 0.000 0.870 812 Q CB 0.042 28.772 28.738 -0.014 0.000 1.050 812 Q HN 0.252 nan 8.270 nan 0.000 0.604 813 R N 1.274 121.766 120.500 -0.014 0.000 2.159 813 R HA -0.270 4.061 4.340 -0.015 0.000 0.249 813 R C 1.573 177.870 176.300 -0.005 0.000 1.136 813 R CA 2.369 58.462 56.100 -0.012 0.000 0.951 813 R CB -0.226 30.062 30.300 -0.020 0.000 0.876 813 R HN 0.223 nan 8.270 nan 0.000 0.440 814 N N -0.111 118.580 118.700 -0.015 0.000 2.013 814 N HA -0.144 4.587 4.740 -0.015 0.000 0.195 814 N C 1.892 177.421 175.510 0.032 0.000 1.051 814 N CA 2.062 55.106 53.050 -0.011 0.000 0.851 814 N CB -0.164 38.295 38.487 -0.047 0.000 1.044 814 N HN 0.200 nan 8.380 nan 0.000 0.422 815 I N 0.741 121.316 120.570 0.008 0.000 2.163 815 I HA -0.258 3.903 4.170 -0.015 0.000 0.243 815 I C 1.508 177.715 176.117 0.149 0.000 1.085 815 I CA 1.145 62.489 61.300 0.073 0.000 1.347 815 I CB -0.206 37.796 38.000 0.003 0.000 1.044 815 I HN 0.147 nan 8.210 nan 0.000 0.408 816 R N 0.418 120.962 120.500 0.074 0.000 2.362 816 R HA -0.089 4.242 4.340 -0.015 0.000 0.204 816 R C 1.565 177.892 176.300 0.045 0.000 1.088 816 R CA 0.483 56.618 56.100 0.058 0.000 1.121 816 R CB -0.026 30.290 30.300 0.026 0.000 0.954 816 R HN 0.419 nan 8.270 nan 0.000 0.478 817 K N -1.431 119.012 120.400 0.071 0.000 2.625 817 K HA -0.027 4.284 4.320 -0.015 0.000 0.202 817 K C 1.116 177.752 176.600 0.060 0.000 1.412 817 K CA -0.256 56.047 56.287 0.027 0.000 0.989 817 K CB -0.111 32.391 32.500 0.003 0.000 1.682 817 K HN 0.080 nan 8.250 nan 0.000 0.496 818 W N 2.632 123.873 121.300 -0.098 0.000 2.401 818 W HA -0.186 4.465 4.660 -0.015 0.000 0.264 818 W C 0.951 177.423 176.519 -0.079 0.000 1.209 818 W CA 1.350 58.627 57.345 -0.112 0.000 1.170 818 W CB 0.085 29.497 29.460 -0.080 0.000 1.134 818 W HN 0.077 nan 8.180 nan 0.000 0.587 819 L N -1.599 119.669 121.223 0.075 0.000 2.189 819 L HA -0.134 4.197 4.340 -0.015 0.000 0.199 819 L C 2.382 179.192 176.870 -0.099 0.000 1.074 819 L CA 0.668 55.472 54.840 -0.060 0.000 0.783 819 L CB -1.394 40.707 42.059 0.070 0.000 0.955 819 L HN -0.259 nan 8.230 nan 0.000 0.460 820 V N 0.877 120.765 119.914 -0.043 0.000 2.278 820 V HA -0.370 3.741 4.120 -0.015 0.000 0.251 820 V C 2.454 178.519 176.094 -0.049 0.000 1.062 820 V CA 2.249 64.527 62.300 -0.038 0.000 1.038 820 V CB -0.465 31.327 31.823 -0.052 0.000 0.646 820 V HN 0.382 nan 8.190 nan 0.000 0.447 821 L N -0.457 120.680 121.223 -0.144 0.000 2.083 821 L HA -0.149 4.183 4.340 -0.015 0.000 0.209 821 L C 2.680 179.456 176.870 -0.157 0.000 1.083 821 L CA 1.625 56.347 54.840 -0.196 0.000 0.752 821 L CB -0.300 41.505 42.059 -0.423 0.000 0.899 821 L HN 0.188 nan 8.230 nan 0.000 0.433 822 R N -0.498 119.841 120.500 -0.268 0.000 2.280 822 R HA -0.086 4.245 4.340 -0.015 0.000 0.207 822 R C 0.999 177.343 176.300 0.074 0.000 1.043 822 R CA 0.958 56.991 56.100 -0.113 0.000 1.006 822 R CB -0.352 29.721 30.300 -0.378 0.000 0.885 822 R HN 0.538 nan 8.270 nan 0.000 0.467 823 N N -0.494 118.250 118.700 0.074 0.000 2.238 823 N HA -0.031 4.700 4.740 -0.015 0.000 0.222 823 N C -0.946 174.704 175.510 0.233 0.000 1.133 823 N CA -0.433 52.685 53.050 0.113 0.000 0.854 823 N CB 0.399 38.921 38.487 0.058 0.000 1.041 823 N HN 0.047 nan 8.380 nan 0.000 0.510 824 W N 2.298 123.657 121.300 0.098 0.000 2.332 824 W HA 0.285 4.936 4.660 -0.015 0.000 0.306 824 W C 1.040 177.666 176.519 0.178 0.000 1.149 824 W CA -0.595 56.841 57.345 0.151 0.000 1.271 824 W CB 0.824 30.398 29.460 0.190 0.000 1.243 824 W HN 0.045 nan 8.180 nan 0.000 0.459 825 Q N 3.231 123.036 119.800 0.007 0.000 2.142 825 Q HA -0.291 4.041 4.340 -0.015 0.000 0.213 825 Q C 1.720 177.412 176.000 -0.513 0.000 1.004 825 Q CA 2.597 58.247 55.803 -0.255 0.000 0.883 825 Q CB -0.611 27.949 28.738 -0.297 0.000 0.939 825 Q HN 0.827 nan 8.270 nan 0.000 0.413 826 W N -0.247 120.500 121.300 -0.923 0.000 2.354 826 W HA -0.200 4.451 4.660 -0.015 0.000 0.315 826 W C 2.364 178.574 176.519 -0.515 0.000 1.206 826 W CA 0.845 57.607 57.345 -0.972 0.000 1.290 826 W CB -0.902 27.380 29.460 -1.963 0.000 1.152 826 W HN 0.348 nan 8.180 nan 0.000 0.489 827 W N 1.756 122.889 121.300 -0.278 0.000 2.333 827 W HA -0.290 4.361 4.660 -0.015 0.000 0.316 827 W C 1.842 178.410 176.519 0.082 0.000 1.215 827 W CA 2.139 59.553 57.345 0.116 0.000 1.278 827 W CB -0.521 29.128 29.460 0.315 0.000 1.154 827 W HN -0.056 nan 8.180 nan 0.000 0.486 828 K N 0.016 120.456 120.400 0.065 0.000 2.015 828 K HA -0.303 4.008 4.320 -0.015 0.000 0.220 828 K C 1.931 178.419 176.600 -0.187 0.000 1.055 828 K CA 2.289 58.536 56.287 -0.066 0.000 0.951 828 K CB -1.184 31.285 32.500 -0.052 0.000 0.725 828 K HN 0.109 nan 8.250 nan 0.000 0.449 829 L N 0.858 121.960 121.223 -0.202 0.000 1.965 829 L HA -0.301 4.030 4.340 -0.015 0.000 0.226 829 L C 2.201 178.949 176.870 -0.205 0.000 1.083 829 L CA 2.023 56.734 54.840 -0.215 0.000 0.790 829 L CB -1.205 40.691 42.059 -0.273 0.000 0.898 829 L HN 0.292 nan 8.230 nan 0.000 0.439 830 Y N 0.390 120.518 120.300 -0.287 0.000 2.108 830 Y HA -0.412 4.129 4.550 -0.015 0.000 0.274 830 Y C 2.629 178.283 175.900 -0.411 0.000 1.229 830 Y CA 2.549 60.452 58.100 -0.330 0.000 1.129 830 Y CB -0.895 37.306 38.460 -0.431 0.000 0.946 830 Y HN 0.422 nan 8.280 nan 0.000 0.509 831 S N -0.332 115.010 115.700 -0.596 0.000 2.355 831 S HA -0.208 4.253 4.470 -0.015 0.000 0.222 831 S C 2.320 176.698 174.600 -0.370 0.000 1.031 831 S CA 1.865 59.739 58.200 -0.543 0.000 0.993 831 S CB -0.736 62.212 63.200 -0.420 0.000 0.859 831 S HN 0.643 nan 8.310 nan 0.000 0.453 832 K N 1.004 121.237 120.400 -0.278 0.000 2.127 832 K HA -0.073 4.238 4.320 -0.015 0.000 0.208 832 K C 2.037 178.507 176.600 -0.217 0.000 1.047 832 K CA 1.891 58.058 56.287 -0.201 0.000 0.927 832 K CB -1.452 30.948 32.500 -0.167 0.000 0.716 832 K HN 0.329 nan 8.250 nan 0.000 0.450 833 V N 0.785 120.530 119.914 -0.282 0.000 3.306 833 V HA 0.065 4.176 4.120 -0.015 0.000 0.264 833 V C 1.922 177.819 176.094 -0.329 0.000 1.149 833 V CA 1.145 63.281 62.300 -0.273 0.000 1.143 833 V CB -0.818 30.848 31.823 -0.262 0.000 0.767 833 V HN 0.706 nan 8.190 nan 0.000 0.476 834 K N 2.849 122.989 120.400 -0.434 0.000 2.062 834 K HA 0.292 4.604 4.320 -0.015 0.000 0.251 834 K C -1.628 174.847 176.600 -0.208 0.000 1.113 834 K CA -0.390 55.657 56.287 -0.400 0.000 1.096 834 K CB -1.617 30.624 32.500 -0.431 0.000 1.099 834 K HN 0.631 nan 8.250 nan 0.000 0.350 835 P HA 0.000 nan 4.420 nan 0.000 0.216 835 P CA 0.000 63.043 63.100 -0.095 0.000 0.800 835 P CB 0.000 31.648 31.700 -0.086 0.000 0.726