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 1qgu_1_D DATA FIRST_RESID 1 DATA SEQUENCE SQTIDKINSC YPLFEQDEYQ ELFRNKRQLE EAHDAQRVQE VFAWTTTAEY DATA SEQUENCE EALNFRREAL TVDPAKACQP LGAVLCSLGF ANTLPYVHGS QGCVAYFRTY DATA SEQUENCE FNRHFKEPIA CVSDSMTEDA AVFGGNNNMN LGLQNASALY KPEIIAVSTT DATA SEQUENCE CMAEVIGDDL QAFIANAKKD GFVDSSIAVP HAHTPSFIGS HVTGWDNMFE DATA SEQUENCE GFAKTFTADY QGQPGKLPKL NLVTGFETYL GNFRVLKRMM EQMAVPCSLL DATA SEQUENCE SDPSEVLDTP ADGHYRMYSG GTTQQEMKEA PDAIDTLLLQ PWQLLKSKKV DATA SEQUENCE VQEMWNQPAT EVAIPLGLAA TDELLMTVSQ LSGKPIADAL TLERGRLVDM DATA SEQUENCE MLDSHTWLHG KKFGLYGDPD FVMGLTRFLL ELGCEPTVIL SHNANKRWQK DATA SEQUENCE AMNKMLDASP YGRDSEVFIN CDLWHFRSLM FTRQPDFMIG NSYGKFIQRD DATA SEQUENCE TLAKGKAFEV PLIRLGFPLF DRHHLHRQTT WGYEGAMNIV TTLVNAVLEK DATA SEQUENCE LDSDTSQLGK TDYSFDLVR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.613 174.600 0.022 0.000 1.055 1 S CA 0.000 58.204 58.200 0.006 0.000 1.107 1 S CB 0.000 63.185 63.200 -0.024 0.000 0.593 2 Q N 0.231 120.033 119.800 0.004 0.000 2.495 2 Q HA 0.707 5.047 4.340 -0.000 0.000 0.287 2 Q C -1.134 174.858 176.000 -0.014 0.000 1.078 2 Q CA -0.707 55.091 55.803 -0.009 0.000 0.793 2 Q CB 2.392 31.123 28.738 -0.011 0.000 1.459 2 Q HN 0.877 nan 8.270 nan 0.000 0.422 3 T N 0.749 115.292 114.554 -0.019 0.000 2.908 3 T HA 0.332 4.682 4.350 -0.000 0.000 0.290 3 T C 0.984 175.675 174.700 -0.016 0.000 1.034 3 T CA -0.474 61.616 62.100 -0.017 0.000 1.010 3 T CB 1.284 70.141 68.868 -0.019 0.000 1.068 3 T HN 0.497 nan 8.240 nan 0.000 0.481 4 I N 2.167 122.730 120.570 -0.013 0.000 2.439 4 I HA 0.010 4.180 4.170 -0.000 0.000 0.251 4 I C 2.244 178.353 176.117 -0.012 0.000 1.139 4 I CA 2.112 63.405 61.300 -0.011 0.000 1.438 4 I CB -0.581 37.414 38.000 -0.008 0.000 1.085 4 I HN 0.923 nan 8.210 nan 0.000 0.427 5 D N 0.155 120.547 120.400 -0.013 0.000 2.224 5 D HA 0.175 4.814 4.640 -0.000 0.000 0.205 5 D C 1.384 177.675 176.300 -0.016 0.000 0.965 5 D CA 1.284 55.277 54.000 -0.013 0.000 0.852 5 D CB -0.450 nan 40.800 nan 0.000 0.947 5 D HN 0.439 nan 8.370 nan 0.000 0.494 6 K N 0.301 120.689 120.400 -0.021 0.000 2.803 6 K HA 0.604 4.924 4.320 -0.000 0.000 0.229 6 K C -0.601 175.977 176.600 -0.036 0.000 1.084 6 K CA -0.536 55.734 56.287 -0.028 0.000 1.063 6 K CB -0.121 32.362 32.500 -0.029 0.000 1.254 6 K HN 0.418 nan 8.250 nan 0.000 0.551 7 I N 2.253 122.802 120.570 -0.035 0.000 2.529 7 I HA 0.192 4.362 4.170 -0.000 0.000 0.284 7 I C -0.069 176.011 176.117 -0.063 0.000 1.082 7 I CA -0.712 60.562 61.300 -0.044 0.000 1.406 7 I CB 1.173 39.153 38.000 -0.033 0.000 1.405 7 I HN 0.556 nan 8.210 nan 0.000 0.548 8 N N 4.384 123.030 118.700 -0.091 0.000 2.362 8 N HA 0.329 5.069 4.740 -0.000 0.000 0.298 8 N C -0.636 174.779 175.510 -0.159 0.000 1.048 8 N CA -0.391 52.581 53.050 -0.130 0.000 0.858 8 N CB 1.933 40.316 38.487 -0.174 0.000 1.218 8 N HN 0.474 nan 8.380 nan 0.000 0.488 9 S N 0.287 115.906 115.700 -0.136 0.000 2.617 9 S HA 0.056 4.526 4.470 -0.000 0.000 0.259 9 S C 1.855 176.306 174.600 -0.248 0.000 1.301 9 S CA -0.740 57.379 58.200 -0.136 0.000 0.984 9 S CB 0.471 63.640 63.200 -0.051 0.000 0.954 9 S HN 0.807 nan 8.310 nan 0.000 0.572 10 C N 0.116 119.267 119.300 -0.248 0.000 2.269 10 C HA -0.239 4.221 4.460 -0.000 0.000 0.264 10 C C 1.263 176.099 174.990 -0.256 0.000 1.112 10 C CA 0.782 59.590 59.018 -0.350 0.000 1.805 10 C CB -1.694 26.099 27.740 0.089 0.000 1.958 10 C HN 0.749 nan 8.230 nan 0.000 0.418 11 Y N 5.165 125.417 120.300 -0.079 0.000 2.341 11 Y HA 0.504 5.054 4.550 -0.000 0.000 0.340 11 Y C -1.756 174.103 175.900 -0.068 0.000 0.997 11 Y CA -2.406 55.672 58.100 -0.036 0.000 1.149 11 Y CB 1.113 39.593 38.460 0.034 0.000 1.171 11 Y HN 0.289 nan 8.280 nan 0.000 0.494 12 P HA 0.018 nan 4.420 nan 0.000 0.269 12 P C 1.090 178.103 177.300 -0.478 0.000 1.478 12 P CA 0.059 62.563 63.100 -0.993 0.000 1.045 12 P CB 0.486 31.586 31.700 -1.000 0.000 1.512 13 L N 0.576 121.523 121.223 -0.460 0.000 2.010 13 L HA -0.192 4.148 4.340 -0.000 0.000 0.219 13 L C 1.712 178.333 176.870 -0.416 0.000 1.077 13 L CA 2.291 56.837 54.840 -0.491 0.000 0.773 13 L CB -1.468 40.110 42.059 -0.801 0.000 0.892 13 L HN -0.158 nan 8.230 nan 0.000 0.436 14 F N -0.105 119.724 119.950 -0.201 0.000 2.771 14 F HA -0.007 4.520 4.527 0.000 0.000 0.299 14 F C 2.217 178.020 175.800 0.004 0.000 1.177 14 F CA 0.291 58.180 58.000 -0.185 0.000 1.450 14 F CB -0.774 38.208 39.000 -0.029 0.000 1.114 14 F HN 0.210 nan 8.300 nan 0.000 0.587 15 E N 0.176 120.442 120.200 0.110 0.000 2.358 15 E HA -0.069 4.281 4.350 -0.000 0.000 0.195 15 E C 0.706 177.347 176.600 0.069 0.000 1.010 15 E CA 0.270 56.727 56.400 0.094 0.000 0.856 15 E CB -0.285 29.416 29.700 0.002 0.000 0.795 15 E HN 0.499 nan 8.360 nan 0.000 0.504 16 Q N 1.129 120.974 119.800 0.075 0.000 2.421 16 Q HA -0.030 4.310 4.340 -0.000 0.000 0.255 16 Q C 0.646 176.674 176.000 0.048 0.000 1.013 16 Q CA -0.219 55.621 55.803 0.062 0.000 0.895 16 Q CB 0.623 29.411 28.738 0.083 0.000 1.271 16 Q HN -0.010 nan 8.270 nan 0.000 0.460 17 D N 1.845 122.246 120.400 0.001 0.000 2.133 17 D HA -0.240 4.400 4.640 -0.000 0.000 0.192 17 D C 1.752 178.009 176.300 -0.072 0.000 1.001 17 D CA 1.679 55.665 54.000 -0.024 0.000 0.844 17 D CB -0.036 40.747 40.800 -0.029 0.000 0.944 17 D HN 0.682 nan 8.370 nan 0.000 0.447 18 E N 0.394 120.518 120.200 -0.126 0.000 2.153 18 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 18 E C 1.961 178.350 176.600 -0.351 0.000 0.988 18 E CA 1.001 57.254 56.400 -0.245 0.000 0.811 18 E CB -0.842 28.666 29.700 -0.320 0.000 0.746 18 E HN 0.418 nan 8.360 nan 0.000 0.466 19 Y N 1.607 121.800 120.300 -0.180 0.000 2.337 19 Y HA -0.010 4.540 4.550 -0.000 0.000 0.293 19 Y C 2.682 178.179 175.900 -0.672 0.000 1.123 19 Y CA 1.110 58.961 58.100 -0.414 0.000 1.201 19 Y CB -0.098 38.197 38.460 -0.274 0.000 1.011 19 Y HN -0.011 nan 8.280 nan 0.000 0.545 20 Q N -0.043 119.637 119.800 -0.200 0.000 2.124 20 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 20 Q C 2.371 178.344 176.000 -0.044 0.000 0.977 20 Q CA 1.556 57.304 55.803 -0.092 0.000 0.850 20 Q CB -0.570 28.184 28.738 0.028 0.000 0.901 20 Q HN 0.507 nan 8.270 nan 0.000 0.429 21 E N 1.179 121.335 120.200 -0.074 0.000 2.072 21 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 21 E C 2.064 178.643 176.600 -0.035 0.000 0.985 21 E CA 0.846 57.220 56.400 -0.044 0.000 0.801 21 E CB -0.489 29.172 29.700 -0.066 0.000 0.750 21 E HN 0.528 nan 8.360 nan 0.000 0.452 22 L N -0.691 120.470 121.223 -0.104 0.000 1.989 22 L HA -0.142 4.198 4.340 -0.000 0.000 0.211 22 L C 2.467 179.412 176.870 0.125 0.000 1.071 22 L CA 2.321 57.139 54.840 -0.037 0.000 0.749 22 L CB -0.460 41.543 42.059 -0.093 0.000 0.890 22 L HN 0.288 nan 8.230 nan 0.000 0.431 23 F N 0.272 120.253 119.950 0.051 0.000 2.126 23 F HA -0.198 4.329 4.527 -0.000 0.000 0.299 23 F C 2.999 178.811 175.800 0.019 0.000 1.096 23 F CA 1.216 59.234 58.000 0.029 0.000 1.255 23 F CB -1.567 37.454 39.000 0.036 0.000 0.997 23 F HN -0.046 nan 8.300 nan 0.000 0.479 24 R N 0.114 120.736 120.500 0.202 0.000 2.081 24 R HA -0.106 4.234 4.340 -0.000 0.000 0.235 24 R C 1.988 178.336 176.300 0.079 0.000 1.131 24 R CA 1.240 57.408 56.100 0.113 0.000 0.960 24 R CB -1.327 29.018 30.300 0.076 0.000 0.856 24 R HN 0.409 nan 8.270 nan 0.000 0.436 25 N N 0.368 119.110 118.700 0.071 0.000 2.142 25 N HA -0.089 4.651 4.740 -0.000 0.000 0.186 25 N C 1.760 177.301 175.510 0.053 0.000 1.023 25 N CA 1.329 54.407 53.050 0.047 0.000 0.852 25 N CB -0.368 38.137 38.487 0.030 0.000 0.998 25 N HN 0.381 nan 8.380 nan 0.000 0.424 26 K N 1.395 121.844 120.400 0.082 0.000 2.147 26 K HA -0.048 4.272 4.320 -0.000 0.000 0.205 26 K C 2.064 178.687 176.600 0.038 0.000 1.049 26 K CA 0.713 57.039 56.287 0.065 0.000 0.936 26 K CB 0.114 32.669 32.500 0.093 0.000 0.722 26 K HN 0.014 nan 8.250 nan 0.000 0.446 27 R N 0.387 120.915 120.500 0.045 0.000 2.117 27 R HA -0.170 4.170 4.340 -0.000 0.000 0.243 27 R C 2.046 178.351 176.300 0.007 0.000 1.143 27 R CA 1.893 58.004 56.100 0.019 0.000 0.968 27 R CB -0.091 30.227 30.300 0.031 0.000 0.863 27 R HN 0.151 nan 8.270 nan 0.000 0.444 28 Q N -0.135 119.673 119.800 0.014 0.000 2.500 28 Q HA 0.009 4.349 4.340 -0.000 0.000 0.213 28 Q C 1.661 177.658 176.000 -0.003 0.000 0.974 28 Q CA 0.806 56.612 55.803 0.005 0.000 0.918 28 Q CB -0.022 28.722 28.738 0.010 0.000 0.980 28 Q HN 0.477 nan 8.270 nan 0.000 0.505 29 L N -0.492 120.729 121.223 -0.003 0.000 2.667 29 L HA 0.219 4.559 4.340 -0.000 0.000 0.232 29 L C 1.614 178.472 176.870 -0.020 0.000 1.138 29 L CA 0.364 55.198 54.840 -0.009 0.000 0.921 29 L CB 0.278 42.336 42.059 -0.002 0.000 1.180 29 L HN 0.253 nan 8.230 nan 0.000 0.487 30 E N -0.017 120.166 120.200 -0.028 0.000 2.476 30 E HA 0.037 4.387 4.350 -0.000 0.000 0.199 30 E C -0.303 176.257 176.600 -0.066 0.000 1.021 30 E CA -0.151 56.223 56.400 -0.043 0.000 0.907 30 E CB 0.439 30.114 29.700 -0.043 0.000 0.974 30 E HN 0.277 nan 8.360 nan 0.000 0.489 31 E N 0.523 120.685 120.200 -0.064 0.000 2.228 31 E HA -0.225 4.125 4.350 -0.000 0.000 0.213 31 E C -0.438 176.071 176.600 -0.151 0.000 1.282 31 E CA 0.042 56.386 56.400 -0.092 0.000 0.707 31 E CB -1.224 28.418 29.700 -0.096 0.000 1.150 31 E HN 0.318 nan 8.360 nan 0.000 0.362 32 A N 1.378 124.134 122.820 -0.107 0.000 2.445 32 A HA 0.144 4.464 4.320 -0.000 0.000 0.242 32 A C 0.333 177.846 177.584 -0.118 0.000 1.075 32 A CA -0.140 51.832 52.037 -0.108 0.000 0.777 32 A CB 0.335 19.315 19.000 -0.033 0.000 1.013 32 A HN 0.333 nan 8.150 nan 0.000 0.493 33 H N 1.127 120.195 119.070 -0.004 0.000 2.815 33 H HA 0.093 4.649 4.556 -0.000 0.000 0.350 33 H C -0.023 175.305 175.328 0.000 0.000 1.080 33 H CA 0.768 56.815 56.048 -0.002 0.000 1.433 33 H CB 0.574 30.337 29.762 0.001 0.000 1.432 33 H HN 0.855 nan 8.280 nan 0.000 0.592 34 D N 0.211 120.686 120.400 0.125 0.000 2.368 34 D HA 0.172 4.812 4.640 -0.000 0.000 0.240 34 D C 1.116 177.456 176.300 0.067 0.000 1.169 34 D CA -0.152 53.889 54.000 0.069 0.000 0.906 34 D CB 0.694 41.522 40.800 0.045 0.000 1.187 34 D HN 0.453 nan 8.370 nan 0.000 0.435 35 A N 0.630 123.477 122.820 0.046 0.000 1.940 35 A HA -0.306 4.014 4.320 -0.000 0.000 0.219 35 A C 2.065 179.669 177.584 0.033 0.000 1.176 35 A CA 2.000 54.059 52.037 0.037 0.000 0.631 35 A CB -0.991 18.026 19.000 0.027 0.000 0.814 35 A HN 0.785 nan 8.150 nan 0.000 0.446 36 Q N -0.906 118.911 119.800 0.029 0.000 2.084 36 Q HA -0.259 4.081 4.340 -0.000 0.000 0.202 36 Q C 2.285 178.297 176.000 0.020 0.000 0.978 36 Q CA 1.903 57.720 55.803 0.023 0.000 0.844 36 Q CB -0.094 28.654 28.738 0.018 0.000 0.898 36 Q HN 0.511 nan 8.270 nan 0.000 0.426 37 R N -0.223 120.287 120.500 0.018 0.000 2.075 37 R HA -0.069 4.271 4.340 -0.000 0.000 0.232 37 R C 2.004 178.301 176.300 -0.006 0.000 1.126 37 R CA 1.507 57.602 56.100 -0.007 0.000 0.963 37 R CB -0.725 29.568 30.300 -0.011 0.000 0.858 37 R HN 0.202 nan 8.270 nan 0.000 0.435 38 V N 0.356 120.284 119.914 0.024 0.000 2.343 38 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 38 V C 2.406 178.547 176.094 0.079 0.000 1.051 38 V CA 2.062 64.387 62.300 0.042 0.000 1.036 38 V CB -0.629 31.224 31.823 0.051 0.000 0.654 38 V HN 0.368 nan 8.190 nan 0.000 0.451 39 Q N -0.641 119.199 119.800 0.066 0.000 2.061 39 Q HA -0.289 4.051 4.340 -0.000 0.000 0.204 39 Q C 2.265 178.340 176.000 0.124 0.000 0.984 39 Q CA 2.070 57.932 55.803 0.098 0.000 0.846 39 Q CB -0.513 28.261 28.738 0.060 0.000 0.902 39 Q HN 0.861 nan 8.270 nan 0.000 0.421 40 E N -0.357 119.881 120.200 0.064 0.000 2.118 40 E HA -0.139 4.211 4.350 -0.000 0.000 0.195 40 E C 2.052 178.692 176.600 0.067 0.000 0.992 40 E CA 1.479 57.903 56.400 0.040 0.000 0.804 40 E CB -0.133 29.559 29.700 -0.012 0.000 0.741 40 E HN 0.290 nan 8.360 nan 0.000 0.458 41 V N 0.827 120.789 119.914 0.079 0.000 2.453 41 V HA -0.193 3.927 4.120 -0.000 0.000 0.247 41 V C 1.897 178.089 176.094 0.164 0.000 1.048 41 V CA 1.338 63.733 62.300 0.157 0.000 1.049 41 V CB -0.453 31.433 31.823 0.104 0.000 0.672 41 V HN 0.233 nan 8.190 nan 0.000 0.457 42 F N 2.044 121.997 119.950 0.004 0.000 2.069 42 F HA -0.195 4.332 4.527 -0.000 0.000 0.298 42 F C 2.321 178.027 175.800 -0.157 0.000 1.113 42 F CA 1.642 59.600 58.000 -0.070 0.000 1.214 42 F CB -0.676 38.294 39.000 -0.050 0.000 0.978 42 F HN 0.076 nan 8.300 nan 0.000 0.474 43 A N -0.250 122.486 122.820 -0.140 0.000 1.908 43 A HA -0.282 4.038 4.320 -0.000 0.000 0.218 43 A C 2.115 179.487 177.584 -0.354 0.000 1.181 43 A CA 1.711 53.560 52.037 -0.313 0.000 0.627 43 A CB -2.010 16.948 19.000 -0.070 0.000 0.818 43 A HN 0.767 nan 8.150 nan 0.000 0.445 44 W N 1.819 122.912 121.300 -0.346 0.000 2.374 44 W HA -0.190 4.470 4.660 0.000 0.000 0.288 44 W C 2.356 178.581 176.519 -0.490 0.000 1.218 44 W CA 2.547 59.715 57.345 -0.295 0.000 1.245 44 W CB -0.552 28.816 29.460 -0.154 0.000 1.126 44 W HN 0.423 nan 8.180 nan 0.000 0.545 45 T N -2.747 111.277 114.554 -0.884 0.000 3.051 45 T HA -0.150 4.200 4.350 -0.000 0.000 0.269 45 T C 1.521 175.464 174.700 -1.261 0.000 1.127 45 T CA 1.649 62.790 62.100 -1.599 0.000 1.107 45 T CB -0.958 67.186 68.868 -1.206 0.000 0.898 45 T HN 0.254 nan 8.240 nan 0.000 0.517 46 T N -0.032 113.815 114.554 -1.178 0.000 3.086 46 T HA 0.186 4.536 4.350 -0.000 0.000 0.250 46 T C 0.904 175.190 174.700 -0.691 0.000 1.074 46 T CA 0.144 61.436 62.100 -1.347 0.000 0.988 46 T CB -0.499 67.340 68.868 -1.716 0.000 0.988 46 T HN 0.621 nan 8.240 nan 0.000 0.530 47 T N -1.618 112.639 114.554 -0.496 0.000 2.881 47 T HA 0.740 5.090 4.350 -0.000 0.000 0.278 47 T C 1.674 176.283 174.700 -0.152 0.000 0.982 47 T CA -0.298 61.643 62.100 -0.265 0.000 0.989 47 T CB 1.326 70.090 68.868 -0.173 0.000 1.058 47 T HN 0.095 nan 8.240 nan 0.000 0.529 48 A N -0.107 122.661 122.820 -0.085 0.000 1.969 48 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 48 A C 2.258 179.827 177.584 -0.025 0.000 1.169 48 A CA 1.649 53.659 52.037 -0.045 0.000 0.635 48 A CB -1.064 17.917 19.000 -0.032 0.000 0.810 48 A HN 1.038 nan 8.150 nan 0.000 0.445 49 E N -1.374 118.821 120.200 -0.007 0.000 2.051 49 E HA -0.261 4.089 4.350 -0.000 0.000 0.192 49 E C 1.838 178.432 176.600 -0.011 0.000 0.991 49 E CA 1.576 58.000 56.400 0.039 0.000 0.799 49 E CB -0.363 29.424 29.700 0.145 0.000 0.748 49 E HN 0.708 nan 8.360 nan 0.000 0.449 50 Y N 1.562 121.672 120.300 -0.317 0.000 2.181 50 Y HA -0.195 4.355 4.550 -0.000 0.000 0.288 50 Y C 2.286 178.038 175.900 -0.248 0.000 1.146 50 Y CA 2.230 60.010 58.100 -0.535 0.000 1.164 50 Y CB -0.179 37.673 38.460 -1.014 0.000 0.982 50 Y HN 0.149 nan 8.280 nan 0.000 0.515 51 E N 0.077 120.262 120.200 -0.024 0.000 2.070 51 E HA -0.298 4.052 4.350 -0.000 0.000 0.197 51 E C 2.274 178.946 176.600 0.119 0.000 1.004 51 E CA 1.402 57.846 56.400 0.074 0.000 0.805 51 E CB -0.382 29.363 29.700 0.075 0.000 0.744 51 E HN 0.561 nan 8.360 nan 0.000 0.451 52 A N 1.037 123.879 122.820 0.037 0.000 1.883 52 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 52 A C 2.248 179.864 177.584 0.054 0.000 1.186 52 A CA 1.587 53.659 52.037 0.059 0.000 0.624 52 A CB -0.793 18.222 19.000 0.026 0.000 0.822 52 A HN 0.339 nan 8.150 nan 0.000 0.444 53 L N -0.423 120.773 121.223 -0.045 0.000 2.042 53 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 53 L C 2.569 179.365 176.870 -0.124 0.000 1.076 53 L CA 1.571 56.357 54.840 -0.090 0.000 0.749 53 L CB -0.783 41.177 42.059 -0.164 0.000 0.893 53 L HN 0.446 nan 8.230 nan 0.000 0.432 54 N N 0.676 119.238 118.700 -0.229 0.000 2.104 54 N HA -0.215 4.525 4.740 -0.000 0.000 0.190 54 N C 1.531 177.026 175.510 -0.024 0.000 1.024 54 N CA 1.662 54.596 53.050 -0.194 0.000 0.853 54 N CB -0.247 38.122 38.487 -0.197 0.000 1.008 54 N HN 0.201 nan 8.380 nan 0.000 0.424 55 F N 0.337 120.336 119.950 0.081 0.000 2.802 55 F HA 0.196 4.723 4.527 -0.000 0.000 0.300 55 F C 1.846 177.690 175.800 0.073 0.000 1.168 55 F CA 0.203 58.276 58.000 0.122 0.000 1.433 55 F CB 0.194 39.223 39.000 0.049 0.000 1.115 55 F HN -0.025 nan 8.300 nan 0.000 0.582 56 R N -0.330 120.264 120.500 0.155 0.000 2.317 56 R HA 0.128 4.468 4.340 -0.000 0.000 0.208 56 R C 0.569 176.911 176.300 0.070 0.000 0.914 56 R CA -0.160 55.999 56.100 0.099 0.000 1.060 56 R CB 0.131 30.468 30.300 0.061 0.000 1.015 56 R HN 0.110 nan 8.270 nan 0.000 0.498 57 R N 1.534 122.073 120.500 0.065 0.000 2.585 57 R HA -0.080 4.260 4.340 -0.000 0.000 0.275 57 R C 1.000 177.334 176.300 0.057 0.000 1.018 57 R CA 0.670 56.793 56.100 0.038 0.000 1.072 57 R CB 0.387 30.690 30.300 0.005 0.000 0.953 57 R HN 0.414 nan 8.270 nan 0.000 0.419 58 E N 1.900 122.122 120.200 0.036 0.000 2.571 58 E HA 0.127 4.477 4.350 -0.000 0.000 0.222 58 E C 0.508 177.128 176.600 0.033 0.000 0.904 58 E CA 0.227 56.652 56.400 0.042 0.000 1.157 58 E CB 0.728 30.451 29.700 0.038 0.000 1.158 58 E HN 0.531 nan 8.360 nan 0.000 0.540 59 A N 0.835 123.666 122.820 0.018 0.000 2.009 59 A HA 0.305 4.625 4.320 -0.000 0.000 0.197 59 A C 0.527 178.110 177.584 -0.003 0.000 1.471 59 A CA -0.221 51.822 52.037 0.009 0.000 0.973 59 A CB 0.284 19.285 19.000 0.001 0.000 1.020 59 A HN 0.184 nan 8.150 nan 0.000 0.476 60 L N 1.986 123.195 121.223 -0.023 0.000 2.319 60 L HA 0.530 4.870 4.340 -0.000 0.000 0.280 60 L C -0.583 176.253 176.870 -0.057 0.000 1.099 60 L CA 0.682 55.490 54.840 -0.052 0.000 0.828 60 L CB 0.936 42.944 42.059 -0.085 0.000 1.150 60 L HN 0.137 nan 8.230 nan 0.000 0.442 61 T N 4.687 119.211 114.554 -0.049 0.000 2.824 61 T HA 0.680 5.030 4.350 -0.000 0.000 0.280 61 T C -0.863 173.774 174.700 -0.104 0.000 0.995 61 T CA -0.400 61.673 62.100 -0.044 0.000 1.009 61 T CB 1.399 70.294 68.868 0.045 0.000 0.955 61 T HN 0.389 nan 8.240 nan 0.000 0.452 62 V N 3.269 123.099 119.914 -0.140 0.000 2.569 62 V HA 0.344 4.464 4.120 -0.000 0.000 0.301 62 V C -0.895 175.147 176.094 -0.086 0.000 1.044 62 V CA -1.058 61.133 62.300 -0.182 0.000 0.874 62 V CB 1.594 33.203 31.823 -0.357 0.000 1.002 62 V HN 0.978 nan 8.190 nan 0.000 0.424 63 D N 3.380 123.723 120.400 -0.096 0.000 2.990 63 D HA -0.103 4.537 4.640 -0.000 0.000 0.245 63 D C -2.161 174.084 176.300 -0.091 0.000 1.120 63 D CA 0.377 54.322 54.000 -0.092 0.000 0.838 63 D CB -0.586 40.228 40.800 0.024 0.000 1.000 63 D HN 0.468 nan 8.370 nan 0.000 0.420 64 P HA 0.253 nan 4.420 nan 0.000 0.270 64 P C -0.284 177.053 177.300 0.061 0.000 1.223 64 P CA -0.245 62.932 63.100 0.130 0.000 0.785 64 P CB 0.871 32.638 31.700 0.111 0.000 0.923 65 A N 2.025 125.031 122.820 0.310 0.000 3.201 65 A HA 0.434 4.754 4.320 -0.000 0.000 0.312 65 A C 0.187 177.874 177.584 0.172 0.000 1.011 65 A CA -0.298 51.829 52.037 0.150 0.000 0.987 65 A CB -0.374 18.650 19.000 0.041 0.000 1.060 65 A HN 0.606 nan 8.150 nan 0.000 0.505 66 K N -1.437 119.009 120.400 0.077 0.000 2.607 66 K HA 0.824 5.144 4.320 -0.000 0.000 0.287 66 K C -0.631 175.990 176.600 0.035 0.000 0.996 66 K CA -0.490 55.850 56.287 0.088 0.000 0.876 66 K CB 1.132 33.594 32.500 -0.063 0.000 1.496 66 K HN 0.511 nan 8.250 nan 0.000 0.415 67 A N 0.219 123.116 122.820 0.129 0.000 2.464 67 A HA 0.811 5.131 4.320 -0.000 0.000 0.268 67 A C -0.531 177.117 177.584 0.106 0.000 1.244 67 A CA -0.418 51.631 52.037 0.020 0.000 0.871 67 A CB 0.641 19.564 19.000 -0.128 0.000 1.400 67 A HN 1.132 nan 8.150 nan 0.000 0.455 68 C N -1.587 117.748 119.300 0.058 0.000 2.358 68 C HA 0.578 5.038 4.460 -0.000 0.000 0.354 68 C C 1.417 176.434 174.990 0.046 0.000 1.183 68 C CA -0.414 58.636 59.018 0.054 0.000 2.150 68 C CB 0.625 28.411 27.740 0.075 0.000 2.361 68 C HN 0.935 nan 8.230 nan 0.000 0.535 69 Q N 1.739 121.547 119.800 0.012 0.000 2.047 69 Q HA -0.185 4.155 4.340 -0.000 0.000 0.211 69 Q C -0.353 175.646 176.000 -0.002 0.000 1.005 69 Q CA 2.691 58.502 55.803 0.013 0.000 0.866 69 Q CB -1.403 27.327 28.738 -0.015 0.000 0.938 69 Q HN 0.748 nan 8.270 nan 0.000 0.414 70 P HA -0.164 nan 4.420 nan 0.000 0.220 70 P C 1.513 178.531 177.300 -0.470 0.000 1.148 70 P CA 0.941 63.913 63.100 -0.213 0.000 0.803 70 P CB -0.129 31.485 31.700 -0.142 0.000 0.782 71 L N 0.513 121.396 121.223 -0.567 0.000 2.043 71 L HA -0.093 4.247 4.340 -0.000 0.000 0.212 71 L C 2.492 179.558 176.870 0.327 0.000 1.075 71 L CA 2.511 57.201 54.840 -0.250 0.000 0.752 71 L CB -1.463 40.571 42.059 -0.041 0.000 0.891 71 L HN -0.026 nan 8.230 nan 0.000 0.432 72 G N -1.752 107.292 108.800 0.406 0.000 2.421 72 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.217 72 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.217 72 G C 1.580 176.726 174.900 0.410 0.000 1.143 72 G CA 0.568 46.091 45.100 0.705 0.000 0.784 72 G HN 0.599 nan 8.290 nan 0.000 0.541 73 A N 0.372 123.311 122.820 0.198 0.000 1.898 73 A HA 0.093 4.413 4.320 -0.000 0.000 0.216 73 A C 2.573 180.211 177.584 0.090 0.000 1.181 73 A CA 1.650 53.744 52.037 0.096 0.000 0.620 73 A CB -0.599 18.448 19.000 0.079 0.000 0.819 73 A HN 0.217 nan 8.150 nan 0.000 0.442 74 V N -0.257 119.730 119.914 0.122 0.000 2.287 74 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 74 V C 2.509 178.670 176.094 0.112 0.000 1.053 74 V CA 2.095 64.493 62.300 0.163 0.000 1.027 74 V CB -0.770 31.199 31.823 0.243 0.000 0.646 74 V HN 0.601 nan 8.190 nan 0.000 0.447 75 L N -0.193 121.112 121.223 0.137 0.000 2.093 75 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 75 L C 2.440 179.266 176.870 -0.073 0.000 1.085 75 L CA 2.224 57.016 54.840 -0.082 0.000 0.755 75 L CB -0.846 41.105 42.059 -0.181 0.000 0.904 75 L HN 0.481 nan 8.230 nan 0.000 0.435 76 C N -1.209 117.958 119.300 -0.221 0.000 2.429 76 C HA -0.139 4.321 4.460 -0.000 0.000 0.277 76 C C 2.974 177.827 174.990 -0.227 0.000 1.262 76 C CA 1.339 59.995 59.018 -0.605 0.000 1.733 76 C CB -1.033 25.954 27.740 -1.256 0.000 2.010 76 C HN 0.680 nan 8.230 nan 0.000 0.483 77 S N 0.797 116.473 115.700 -0.040 0.000 2.382 77 S HA -0.077 4.393 4.470 -0.000 0.000 0.228 77 S C 1.611 176.290 174.600 0.132 0.000 1.027 77 S CA 1.530 59.828 58.200 0.164 0.000 0.991 77 S CB -0.416 62.930 63.200 0.244 0.000 0.823 77 S HN 0.684 nan 8.310 nan 0.000 0.469 78 L N 0.958 122.189 121.223 0.013 0.000 2.261 78 L HA -0.071 4.269 4.340 -0.000 0.000 0.216 78 L C 2.270 179.054 176.870 -0.143 0.000 1.114 78 L CA 0.866 55.675 54.840 -0.052 0.000 0.777 78 L CB -0.640 41.325 42.059 -0.156 0.000 0.910 78 L HN 0.390 nan 8.230 nan 0.000 0.440 79 G N -1.126 107.536 108.800 -0.229 0.000 3.124 79 G HA2 0.053 4.013 3.960 -0.000 0.000 0.212 79 G HA3 0.053 4.013 3.960 -0.000 0.000 0.212 79 G C 0.066 174.606 174.900 -0.600 0.000 1.181 79 G CA -0.237 44.610 45.100 -0.422 0.000 0.803 79 G HN 0.075 nan 8.290 nan 0.000 0.529 80 F N 0.243 120.053 119.950 -0.234 0.000 2.522 80 F HA 0.642 5.169 4.527 0.000 0.000 0.324 80 F C 0.628 176.355 175.800 -0.122 0.000 1.077 80 F CA -1.349 56.524 58.000 -0.212 0.000 0.944 80 F CB 1.833 40.688 39.000 -0.241 0.000 1.175 80 F HN 0.037 nan 8.300 nan 0.000 0.468 81 A N 2.483 125.322 122.820 0.031 0.000 2.511 81 A HA 0.185 4.505 4.320 -0.000 0.000 0.242 81 A C 0.621 178.165 177.584 -0.066 0.000 1.069 81 A CA -0.261 51.759 52.037 -0.028 0.000 0.763 81 A CB -0.318 18.650 19.000 -0.053 0.000 1.001 81 A HN 0.902 nan 8.150 nan 0.000 0.498 82 N N 0.412 119.010 118.700 -0.170 0.000 2.727 82 N HA -0.132 4.608 4.740 -0.000 0.000 0.249 82 N C -0.447 174.748 175.510 -0.525 0.000 1.048 82 N CA 1.715 54.402 53.050 -0.606 0.000 0.714 82 N CB -1.365 36.864 38.487 -0.430 0.000 0.959 82 N HN 0.710 nan 8.380 nan 0.000 0.544 83 T N 0.887 115.355 114.554 -0.143 0.000 2.797 83 T HA 0.504 4.854 4.350 -0.000 0.000 0.279 83 T C 0.203 175.048 174.700 0.242 0.000 0.991 83 T CA -0.589 61.557 62.100 0.076 0.000 0.979 83 T CB 2.060 71.065 68.868 0.229 0.000 0.943 83 T HN 0.170 nan 8.240 nan 0.000 0.444 84 L N 6.733 128.103 121.223 0.245 0.000 2.265 84 L HA 0.516 4.856 4.340 -0.000 0.000 0.289 84 L C -2.606 174.414 176.870 0.250 0.000 1.033 84 L CA -2.172 52.847 54.840 0.298 0.000 0.814 84 L CB 0.795 43.046 42.059 0.320 0.000 1.203 84 L HN 0.311 nan 8.230 nan 0.000 0.423 85 P HA 0.131 nan 4.420 nan 0.000 0.268 85 P C -1.960 175.509 177.300 0.283 0.000 1.205 85 P CA 0.285 63.529 63.100 0.238 0.000 0.771 85 P CB 0.295 32.120 31.700 0.208 0.000 0.858 86 Y N 2.577 122.961 120.300 0.141 0.000 2.361 86 Y HA 0.441 4.991 4.550 -0.000 0.000 0.328 86 Y C -1.645 174.350 175.900 0.159 0.000 1.044 86 Y CA -1.035 57.150 58.100 0.141 0.000 1.085 86 Y CB 1.372 39.902 38.460 0.117 0.000 1.194 86 Y HN 0.065 nan 8.280 nan 0.000 0.438 87 V N 6.283 126.324 119.914 0.212 0.000 2.334 87 V HA 0.212 4.332 4.120 -0.000 0.000 0.281 87 V C -0.375 175.850 176.094 0.218 0.000 1.016 87 V CA -0.792 61.676 62.300 0.279 0.000 0.832 87 V CB 0.661 32.680 31.823 0.325 0.000 0.999 87 V HN 0.842 nan 8.190 nan 0.000 0.439 88 H N 3.870 123.107 119.070 0.279 0.000 2.848 88 H HA 0.607 5.163 4.556 -0.000 0.000 0.317 88 H C 0.505 175.931 175.328 0.163 0.000 1.046 88 H CA 1.525 57.725 56.048 0.254 0.000 1.470 88 H CB 0.583 30.522 29.762 0.294 0.000 1.483 88 H HN 1.010 nan 8.280 nan 0.000 0.548 89 G N 2.556 111.178 108.800 -0.297 0.000 2.292 89 G HA2 0.000 3.960 3.960 -0.000 0.000 0.194 89 G HA3 0.000 3.960 3.960 -0.000 0.000 0.194 89 G C -0.938 173.893 174.900 -0.116 0.000 1.329 89 G CA -0.417 44.556 45.100 -0.211 0.000 1.100 89 G HN 0.981 nan 8.290 nan 0.000 0.470 90 S N 0.208 115.873 115.700 -0.058 0.000 2.562 90 S HA 0.457 4.927 4.470 -0.000 0.000 0.275 90 S C 1.259 175.808 174.600 -0.087 0.000 1.281 90 S CA 0.582 58.745 58.200 -0.061 0.000 1.045 90 S CB 1.699 64.875 63.200 -0.039 0.000 0.962 90 S HN 1.137 nan 8.310 nan 0.000 0.503 91 Q N 2.416 122.154 119.800 -0.104 0.000 2.297 91 Q HA 0.028 4.368 4.340 -0.000 0.000 0.204 91 Q C 1.733 177.614 176.000 -0.200 0.000 0.962 91 Q CA 1.233 56.956 55.803 -0.132 0.000 0.879 91 Q CB -0.901 27.770 28.738 -0.110 0.000 0.947 91 Q HN 0.855 nan 8.270 nan 0.000 0.462 92 G N 1.291 109.962 108.800 -0.214 0.000 2.442 92 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.219 92 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.219 92 G C 1.407 176.047 174.900 -0.433 0.000 1.141 92 G CA 1.010 45.908 45.100 -0.337 0.000 0.763 92 G HN 0.501 nan 8.290 nan 0.000 0.554 93 C N -0.098 118.991 119.300 -0.352 0.000 2.429 93 C HA -0.009 4.451 4.460 -0.000 0.000 0.277 93 C C 3.002 177.331 174.990 -1.102 0.000 1.262 93 C CA 0.652 59.295 59.018 -0.626 0.000 1.733 93 C CB -1.013 26.492 27.740 -0.392 0.000 2.010 93 C HN 0.283 nan 8.230 nan 0.000 0.483 94 V N 1.363 120.927 119.914 -0.583 0.000 2.548 94 V HA -0.135 3.985 4.120 -0.000 0.000 0.249 94 V C 2.716 178.690 176.094 -0.200 0.000 1.055 94 V CA 1.911 64.025 62.300 -0.310 0.000 1.065 94 V CB -1.184 30.595 31.823 -0.074 0.000 0.681 94 V HN 0.591 nan 8.190 nan 0.000 0.462 95 A N -0.765 121.906 122.820 -0.248 0.000 1.902 95 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 95 A C 2.088 179.618 177.584 -0.090 0.000 1.181 95 A CA 1.870 53.796 52.037 -0.186 0.000 0.623 95 A CB -0.666 18.166 19.000 -0.280 0.000 0.818 95 A HN 0.535 nan 8.150 nan 0.000 0.443 96 Y N -1.068 119.104 120.300 -0.213 0.000 2.263 96 Y HA -0.059 4.491 4.550 -0.000 0.000 0.292 96 Y C 2.152 178.046 175.900 -0.011 0.000 1.130 96 Y CA 0.385 58.401 58.100 -0.140 0.000 1.179 96 Y CB -0.957 37.373 38.460 -0.217 0.000 0.998 96 Y HN 0.340 nan 8.280 nan 0.000 0.532 97 F N -0.023 120.043 119.950 0.193 0.000 2.102 97 F HA -0.162 4.365 4.527 -0.000 0.000 0.298 97 F C 2.351 178.285 175.800 0.223 0.000 1.105 97 F CA 1.000 59.091 58.000 0.152 0.000 1.239 97 F CB -1.286 37.827 39.000 0.189 0.000 0.991 97 F HN -0.077 nan 8.300 nan 0.000 0.474 98 R N -0.325 120.404 120.500 0.382 0.000 2.091 98 R HA -0.133 4.207 4.340 -0.000 0.000 0.238 98 R C 2.164 178.643 176.300 0.298 0.000 1.136 98 R CA 1.993 58.291 56.100 0.330 0.000 0.959 98 R CB -1.081 29.333 30.300 0.190 0.000 0.856 98 R HN 0.225 nan 8.270 nan 0.000 0.437 99 T N 0.184 114.881 114.554 0.238 0.000 2.746 99 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 99 T C 1.411 176.248 174.700 0.229 0.000 1.039 99 T CA 1.239 63.454 62.100 0.191 0.000 1.142 99 T CB -0.371 68.607 68.868 0.184 0.000 0.866 99 T HN 0.234 nan 8.240 nan 0.000 0.444 100 Y N 0.708 121.087 120.300 0.133 0.000 2.128 100 Y HA -0.104 4.446 4.550 0.000 0.000 0.284 100 Y C 1.854 177.926 175.900 0.287 0.000 1.154 100 Y CA 0.987 59.174 58.100 0.144 0.000 1.149 100 Y CB -0.452 38.044 38.460 0.061 0.000 0.976 100 Y HN 0.178 nan 8.280 nan 0.000 0.505 101 F N -0.259 120.003 119.950 0.521 0.000 2.293 101 F HA -0.088 4.439 4.527 -0.000 0.000 0.297 101 F C 2.014 178.052 175.800 0.398 0.000 1.089 101 F CA 1.170 59.478 58.000 0.514 0.000 1.377 101 F CB -1.189 38.127 39.000 0.527 0.000 1.051 101 F HN 0.086 nan 8.300 nan 0.000 0.511 102 N N 0.082 119.034 118.700 0.419 0.000 2.094 102 N HA -0.190 4.550 4.740 -0.000 0.000 0.191 102 N C 1.739 177.321 175.510 0.120 0.000 1.023 102 N CA 1.215 54.403 53.050 0.229 0.000 0.857 102 N CB -0.167 38.394 38.487 0.124 0.000 1.013 102 N HN 0.223 nan 8.380 nan 0.000 0.426 103 R N -0.936 119.600 120.500 0.060 0.000 2.193 103 R HA -0.044 4.296 4.340 -0.000 0.000 0.213 103 R C 1.727 178.091 176.300 0.108 0.000 1.055 103 R CA 0.687 56.722 56.100 -0.109 0.000 0.995 103 R CB -0.049 29.887 30.300 -0.607 0.000 0.893 103 R HN 0.421 nan 8.270 nan 0.000 0.459 104 H N -0.649 118.502 119.070 0.136 0.000 2.370 104 H HA 0.032 4.588 4.556 -0.000 0.000 0.304 104 H C 1.049 176.153 175.328 -0.374 0.000 1.055 104 H CA 1.361 57.341 56.048 -0.113 0.000 1.373 104 H CB 0.120 29.738 29.762 -0.241 0.000 1.423 104 H HN 0.014 nan 8.280 nan 0.000 0.533 105 F N 0.440 120.312 119.950 -0.131 0.000 2.743 105 F HA 0.195 4.722 4.527 -0.000 0.000 0.297 105 F C 0.650 176.108 175.800 -0.571 0.000 1.131 105 F CA 0.231 57.870 58.000 -0.603 0.000 1.426 105 F CB 0.171 39.019 39.000 -0.253 0.000 1.116 105 F HN -0.063 nan 8.300 nan 0.000 0.583 106 K N 1.537 121.851 120.400 -0.144 0.000 3.148 106 K HA -0.195 4.125 4.320 -0.000 0.000 0.267 106 K C -0.799 175.807 176.600 0.011 0.000 0.996 106 K CA 0.422 56.653 56.287 -0.093 0.000 0.737 106 K CB -1.377 31.028 32.500 -0.159 0.000 1.308 106 K HN 0.268 nan 8.250 nan 0.000 0.470 107 E N -0.951 119.286 120.200 0.063 0.000 2.429 107 E HA 0.439 4.789 4.350 -0.000 0.000 0.276 107 E C -2.608 174.040 176.600 0.078 0.000 0.953 107 E CA -2.088 54.353 56.400 0.068 0.000 0.787 107 E CB 1.636 31.362 29.700 0.044 0.000 1.307 107 E HN -0.164 nan 8.360 nan 0.000 0.458 108 P HA 0.291 nan 4.420 nan 0.000 0.272 108 P C -0.406 176.948 177.300 0.090 0.000 1.223 108 P CA -0.237 62.901 63.100 0.063 0.000 0.784 108 P CB 0.641 32.382 31.700 0.069 0.000 0.923 109 I N 1.068 121.698 120.570 0.101 0.000 2.468 109 I HA 0.362 4.532 4.170 -0.000 0.000 0.284 109 I C 0.050 176.224 176.117 0.094 0.000 1.038 109 I CA -1.104 60.267 61.300 0.118 0.000 1.083 109 I CB 1.168 39.310 38.000 0.236 0.000 1.223 109 I HN 0.324 nan 8.210 nan 0.000 0.443 110 A N 5.331 128.186 122.820 0.059 0.000 2.328 110 A HA 0.643 4.963 4.320 -0.000 0.000 0.284 110 A C -0.301 177.316 177.584 0.054 0.000 1.160 110 A CA -0.274 51.767 52.037 0.006 0.000 0.818 110 A CB 0.870 19.838 19.000 -0.054 0.000 1.087 110 A HN 0.861 nan 8.150 nan 0.000 0.504 111 C N 2.689 122.008 119.300 0.032 0.000 3.199 111 C HA 0.565 5.025 4.460 -0.000 0.000 0.392 111 C C -0.751 174.255 174.990 0.026 0.000 1.050 111 C CA 0.075 59.147 59.018 0.091 0.000 1.222 111 C CB 0.443 28.303 27.740 0.199 0.000 1.595 111 C HN 1.572 nan 8.230 nan 0.000 0.560 112 V N 2.816 122.737 119.914 0.012 0.000 3.019 112 V HA 0.980 5.100 4.120 -0.000 0.000 0.317 112 V C -0.110 175.879 176.094 -0.175 0.000 1.094 112 V CA -0.204 62.050 62.300 -0.077 0.000 1.000 112 V CB 1.692 33.469 31.823 -0.077 0.000 1.060 112 V HN 1.122 nan 8.190 nan 0.000 0.443 113 S N -0.042 115.530 115.700 -0.213 0.000 2.638 113 S HA 0.587 5.057 4.470 -0.000 0.000 0.302 113 S C -0.170 174.238 174.600 -0.319 0.000 1.096 113 S CA 0.043 58.092 58.200 -0.251 0.000 0.953 113 S CB 1.845 64.966 63.200 -0.132 0.000 1.107 113 S HN 1.076 nan 8.310 nan 0.000 0.503 114 D N 0.257 120.510 120.400 -0.245 0.000 2.402 114 D HA 0.234 4.874 4.640 -0.000 0.000 0.216 114 D C -0.002 176.268 176.300 -0.050 0.000 1.128 114 D CA -0.148 53.793 54.000 -0.099 0.000 0.833 114 D CB -0.231 40.626 40.800 0.094 0.000 0.971 114 D HN 0.372 nan 8.370 nan 0.000 0.503 115 S N -0.207 115.448 115.700 -0.074 0.000 3.711 115 S HA -0.227 4.243 4.470 -0.000 0.000 0.374 115 S C 0.207 174.783 174.600 -0.041 0.000 0.969 115 S CA 0.115 58.281 58.200 -0.056 0.000 1.198 115 S CB -1.891 61.283 63.200 -0.043 0.000 0.903 115 S HN 0.495 nan 8.310 nan 0.000 0.493 116 M N 1.769 121.335 119.600 -0.056 0.000 2.239 116 M HA 0.237 4.717 4.480 -0.000 0.000 0.348 116 M C 1.142 177.430 176.300 -0.020 0.000 1.239 116 M CA 0.533 55.812 55.300 -0.035 0.000 1.114 116 M CB 0.522 33.081 32.600 -0.067 0.000 1.641 116 M HN 0.591 nan 8.290 nan 0.000 0.453 117 T N -1.190 113.366 114.554 0.003 0.000 2.762 117 T HA 0.534 4.884 4.350 -0.000 0.000 0.272 117 T C 1.216 175.932 174.700 0.026 0.000 0.982 117 T CA -0.136 61.968 62.100 0.008 0.000 1.013 117 T CB 0.902 69.774 68.868 0.007 0.000 1.309 117 T HN 0.640 nan 8.240 nan 0.000 0.572 118 E N 0.486 120.700 120.200 0.023 0.000 2.147 118 E HA -0.237 4.113 4.350 -0.000 0.000 0.199 118 E C 1.593 178.224 176.600 0.052 0.000 1.005 118 E CA 2.235 58.651 56.400 0.027 0.000 0.810 118 E CB -1.582 28.129 29.700 0.019 0.000 0.736 118 E HN 0.782 nan 8.360 nan 0.000 0.460 119 D N 0.005 120.454 120.400 0.082 0.000 2.116 119 D HA -0.086 4.554 4.640 -0.000 0.000 0.193 119 D C 2.206 178.638 176.300 0.219 0.000 0.998 119 D CA 1.981 56.082 54.000 0.169 0.000 0.836 119 D CB -0.588 40.304 40.800 0.153 0.000 0.951 119 D HN 0.544 nan 8.370 nan 0.000 0.449 120 A N 0.657 123.564 122.820 0.144 0.000 2.067 120 A HA 0.033 4.353 4.320 -0.000 0.000 0.219 120 A C 2.255 179.909 177.584 0.116 0.000 1.158 120 A CA 1.747 53.872 52.037 0.146 0.000 0.661 120 A CB -0.550 18.506 19.000 0.092 0.000 0.801 120 A HN 0.223 nan 8.150 nan 0.000 0.452 121 A N -0.087 122.773 122.820 0.066 0.000 1.978 121 A HA -0.034 4.286 4.320 -0.000 0.000 0.220 121 A C 2.220 179.799 177.584 -0.008 0.000 1.170 121 A CA 2.281 54.338 52.037 0.033 0.000 0.636 121 A CB -0.850 18.157 19.000 0.012 0.000 0.810 121 A HN 1.172 nan 8.150 nan 0.000 0.448 122 V N -5.754 114.108 119.914 -0.087 0.000 2.949 122 V HA 0.197 4.317 4.120 -0.000 0.000 0.245 122 V C 1.966 177.907 176.094 -0.254 0.000 1.086 122 V CA 0.810 62.971 62.300 -0.231 0.000 1.097 122 V CB -0.903 30.649 31.823 -0.452 0.000 0.762 122 V HN 0.264 nan 8.190 nan 0.000 0.470 123 F N 2.467 122.437 119.950 0.032 0.000 2.664 123 F HA 0.647 5.174 4.527 -0.000 0.000 0.296 123 F C 1.660 177.490 175.800 0.050 0.000 1.125 123 F CA 0.585 58.601 58.000 0.026 0.000 1.444 123 F CB -0.404 38.597 39.000 0.001 0.000 1.114 123 F HN 0.524 nan 8.300 nan 0.000 0.576 124 G N -0.138 108.799 108.800 0.228 0.000 2.781 124 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.683 124 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.683 124 G C 0.601 175.642 174.900 0.235 0.000 1.390 124 G CA -0.609 44.656 45.100 0.275 0.000 0.850 124 G HN 0.563 nan 8.290 nan 0.000 0.557 125 G N -0.836 108.186 108.800 0.369 0.000 3.518 125 G HA2 0.291 4.251 3.960 -0.000 0.000 0.273 125 G HA3 0.291 4.251 3.960 -0.000 0.000 0.273 125 G C 0.977 175.866 174.900 -0.019 0.000 1.199 125 G CA 0.934 46.201 45.100 0.279 0.000 0.899 125 G HN 0.865 nan 8.290 nan 0.000 0.533 126 N N 0.558 118.853 118.700 -0.675 0.000 2.188 126 N HA -0.140 4.600 4.740 -0.000 0.000 0.184 126 N C 1.993 177.200 175.510 -0.504 0.000 1.018 126 N CA 0.710 53.081 53.050 -1.132 0.000 0.858 126 N CB 0.099 37.752 38.487 -1.389 0.000 0.989 126 N HN 0.130 nan 8.380 nan 0.000 0.426 127 N N 1.226 119.734 118.700 -0.319 0.000 2.104 127 N HA -0.130 4.610 4.740 -0.000 0.000 0.190 127 N C 1.101 176.498 175.510 -0.189 0.000 1.024 127 N CA 1.192 54.084 53.050 -0.263 0.000 0.853 127 N CB -0.704 37.668 38.487 -0.192 0.000 1.008 127 N HN 0.360 nan 8.380 nan 0.000 0.424 128 N N 0.573 119.231 118.700 -0.071 0.000 2.120 128 N HA -0.120 4.620 4.740 -0.000 0.000 0.188 128 N C 1.677 177.239 175.510 0.086 0.000 1.024 128 N CA 0.917 53.982 53.050 0.024 0.000 0.852 128 N CB -0.223 38.316 38.487 0.086 0.000 1.003 128 N HN 0.172 nan 8.380 nan 0.000 0.424 129 M N 0.805 120.461 119.600 0.093 0.000 2.117 129 M HA -0.044 4.436 4.480 -0.000 0.000 0.262 129 M C 1.139 177.391 176.300 -0.080 0.000 1.065 129 M CA 1.460 56.815 55.300 0.091 0.000 1.114 129 M CB -0.205 32.386 32.600 -0.015 0.000 1.361 129 M HN 0.053 nan 8.290 nan 0.000 0.408 130 N N 0.185 118.695 118.700 -0.316 0.000 2.058 130 N HA -0.094 4.646 4.740 -0.000 0.000 0.191 130 N C 1.765 177.024 175.510 -0.419 0.000 1.037 130 N CA 1.730 54.392 53.050 -0.648 0.000 0.848 130 N CB -0.618 36.997 38.487 -1.452 0.000 1.021 130 N HN 0.407 nan 8.380 nan 0.000 0.422 131 L N 0.101 121.164 121.223 -0.266 0.000 2.093 131 L HA -0.004 4.336 4.340 -0.000 0.000 0.208 131 L C 2.430 179.350 176.870 0.084 0.000 1.085 131 L CA 1.171 55.993 54.840 -0.030 0.000 0.755 131 L CB -0.786 41.258 42.059 -0.025 0.000 0.904 131 L HN 0.201 nan 8.230 nan 0.000 0.435 132 G N 0.240 109.112 108.800 0.120 0.000 2.402 132 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.216 132 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.216 132 G C 1.629 176.751 174.900 0.370 0.000 1.162 132 G CA 0.436 45.691 45.100 0.258 0.000 0.777 132 G HN 0.211 nan 8.290 nan 0.000 0.539 133 L N -0.026 121.361 121.223 0.272 0.000 2.083 133 L HA -0.104 4.236 4.340 -0.000 0.000 0.209 133 L C 2.948 179.921 176.870 0.172 0.000 1.083 133 L CA 1.460 56.401 54.840 0.168 0.000 0.752 133 L CB -0.407 41.658 42.059 0.010 0.000 0.899 133 L HN 0.321 nan 8.230 nan 0.000 0.433 134 Q N 0.220 120.133 119.800 0.188 0.000 2.050 134 Q HA -0.202 4.138 4.340 -0.000 0.000 0.202 134 Q C 1.969 178.053 176.000 0.140 0.000 0.980 134 Q CA 1.681 57.597 55.803 0.188 0.000 0.840 134 Q CB 0.132 29.047 28.738 0.295 0.000 0.898 134 Q HN 0.482 nan 8.270 nan 0.000 0.424 135 N N 0.264 119.048 118.700 0.140 0.000 2.171 135 N HA -0.077 4.663 4.740 -0.000 0.000 0.184 135 N C 1.562 177.141 175.510 0.116 0.000 1.021 135 N CA 1.297 54.409 53.050 0.102 0.000 0.854 135 N CB -0.436 38.109 38.487 0.096 0.000 0.994 135 N HN 0.339 nan 8.380 nan 0.000 0.426 136 A N 0.680 123.626 122.820 0.211 0.000 1.902 136 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 136 A C 2.453 180.181 177.584 0.240 0.000 1.181 136 A CA 1.624 53.846 52.037 0.308 0.000 0.623 136 A CB -0.711 18.532 19.000 0.405 0.000 0.818 136 A HN 0.247 nan 8.150 nan 0.000 0.443 137 S N 0.080 115.886 115.700 0.178 0.000 2.370 137 S HA -0.132 4.338 4.470 -0.000 0.000 0.226 137 S C 2.285 176.931 174.600 0.076 0.000 1.033 137 S CA 1.400 59.677 58.200 0.127 0.000 1.011 137 S CB -0.500 62.755 63.200 0.092 0.000 0.852 137 S HN 0.815 nan 8.310 nan 0.000 0.457 138 A N 0.798 123.641 122.820 0.040 0.000 1.898 138 A HA 0.039 4.359 4.320 -0.000 0.000 0.216 138 A C 2.060 179.597 177.584 -0.078 0.000 1.181 138 A CA 1.130 53.162 52.037 -0.007 0.000 0.620 138 A CB -0.507 18.487 19.000 -0.009 0.000 0.819 138 A HN 0.373 nan 8.150 nan 0.000 0.442 139 L N -2.363 118.743 121.223 -0.195 0.000 2.095 139 L HA -0.014 4.326 4.340 -0.000 0.000 0.204 139 L C 1.856 178.405 176.870 -0.534 0.000 1.080 139 L CA 1.602 56.144 54.840 -0.497 0.000 0.759 139 L CB -0.587 40.914 42.059 -0.929 0.000 0.914 139 L HN 0.509 nan 8.230 nan 0.000 0.439 140 Y N -1.204 119.171 120.300 0.125 0.000 2.444 140 Y HA 0.207 4.757 4.550 -0.000 0.000 0.249 140 Y C 0.575 176.614 175.900 0.231 0.000 1.134 140 Y CA -1.157 57.044 58.100 0.167 0.000 1.261 140 Y CB -0.003 38.568 38.460 0.185 0.000 1.143 140 Y HN -0.085 nan 8.280 nan 0.000 0.523 141 K N 0.675 121.213 120.400 0.231 0.000 3.311 141 K HA -0.175 4.145 4.320 -0.000 0.000 0.270 141 K C -2.766 173.939 176.600 0.175 0.000 0.927 141 K CA 0.403 56.797 56.287 0.178 0.000 0.706 141 K CB -1.657 30.927 32.500 0.139 0.000 1.418 141 K HN 0.341 nan 8.250 nan 0.000 0.459 142 P HA 0.140 nan 4.420 nan 0.000 0.277 142 P C 0.429 177.692 177.300 -0.061 0.000 1.240 142 P CA -0.154 62.929 63.100 -0.027 0.000 0.798 142 P CB 0.736 32.498 31.700 0.102 0.000 0.979 143 E N 0.549 120.660 120.200 -0.149 0.000 2.230 143 E HA 0.098 4.448 4.350 -0.000 0.000 0.192 143 E C 0.341 176.934 176.600 -0.012 0.000 0.987 143 E CA 0.631 56.992 56.400 -0.065 0.000 0.841 143 E CB 0.075 29.730 29.700 -0.075 0.000 0.783 143 E HN 0.456 nan 8.360 nan 0.000 0.481 144 I N 1.302 121.866 120.570 -0.009 0.000 2.533 144 I HA 0.327 4.497 4.170 -0.000 0.000 0.290 144 I C -0.747 175.390 176.117 0.032 0.000 1.056 144 I CA -0.677 60.642 61.300 0.032 0.000 1.057 144 I CB 2.322 40.392 38.000 0.116 0.000 1.240 144 I HN -0.136 nan 8.210 nan 0.000 0.423 145 I N 5.287 125.851 120.570 -0.011 0.000 2.382 145 I HA 0.468 4.638 4.170 -0.000 0.000 0.285 145 I C 0.109 176.188 176.117 -0.064 0.000 1.007 145 I CA -0.443 60.864 61.300 0.013 0.000 1.142 145 I CB 1.677 39.664 38.000 -0.022 0.000 1.289 145 I HN 0.618 nan 8.210 nan 0.000 0.453 146 A N 7.212 130.044 122.820 0.020 0.000 2.280 146 A HA 0.637 4.957 4.320 -0.000 0.000 0.320 146 A C -0.400 177.213 177.584 0.048 0.000 1.366 146 A CA -0.409 51.599 52.037 -0.048 0.000 0.938 146 A CB 0.453 19.530 19.000 0.129 0.000 1.157 146 A HN 0.455 nan 8.150 nan 0.000 0.536 147 V N 3.488 123.384 119.914 -0.030 0.000 2.394 147 V HA 0.550 4.670 4.120 -0.000 0.000 0.282 147 V C 0.569 176.714 176.094 0.085 0.000 1.031 147 V CA 0.113 62.449 62.300 0.059 0.000 0.881 147 V CB 1.033 32.796 31.823 -0.100 0.000 0.982 147 V HN 1.069 nan 8.190 nan 0.000 0.451 148 S N 3.180 118.980 115.700 0.167 0.000 2.806 148 S HA 0.893 5.363 4.470 -0.000 0.000 0.315 148 S C -0.231 174.474 174.600 0.175 0.000 1.127 148 S CA -0.485 57.791 58.200 0.126 0.000 0.918 148 S CB 2.231 65.499 63.200 0.114 0.000 1.240 148 S HN 0.818 nan 8.310 nan 0.000 0.552 149 T N -1.220 113.422 114.554 0.147 0.000 2.916 149 T HA 0.742 5.092 4.350 -0.000 0.000 0.292 149 T C 0.028 174.835 174.700 0.180 0.000 1.055 149 T CA -0.471 61.740 62.100 0.185 0.000 1.009 149 T CB 1.164 70.134 68.868 0.169 0.000 1.118 149 T HN 1.023 nan 8.240 nan 0.000 0.497 150 T N -1.887 112.773 114.554 0.176 0.000 2.897 150 T HA 0.327 4.677 4.350 -0.000 0.000 0.278 150 T C 1.850 176.642 174.700 0.152 0.000 0.981 150 T CA -0.271 61.933 62.100 0.174 0.000 0.973 150 T CB 0.523 69.476 68.868 0.141 0.000 1.092 150 T HN 1.126 nan 8.240 nan 0.000 0.543 151 C N 1.076 120.476 119.300 0.167 0.000 2.446 151 C HA 0.101 4.561 4.460 -0.000 0.000 0.279 151 C C 2.651 177.773 174.990 0.220 0.000 1.366 151 C CA 0.512 59.670 59.018 0.233 0.000 1.763 151 C CB -1.822 26.094 27.740 0.293 0.000 1.929 151 C HN 0.908 nan 8.230 nan 0.000 0.509 152 M N 2.279 121.963 119.600 0.139 0.000 2.108 152 M HA -0.083 4.397 4.480 -0.000 0.000 0.261 152 M C 2.502 178.869 176.300 0.112 0.000 1.066 152 M CA 2.311 57.672 55.300 0.101 0.000 1.107 152 M CB -0.397 32.234 32.600 0.053 0.000 1.356 152 M HN 0.475 nan 8.290 nan 0.000 0.406 153 A N 0.248 123.132 122.820 0.108 0.000 1.930 153 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 153 A C 1.870 179.572 177.584 0.196 0.000 1.175 153 A CA 1.615 53.737 52.037 0.142 0.000 0.627 153 A CB -0.621 18.463 19.000 0.139 0.000 0.815 153 A HN 0.586 nan 8.150 nan 0.000 0.443 154 E N -0.113 120.221 120.200 0.224 0.000 2.072 154 E HA -0.095 4.255 4.350 -0.000 0.000 0.191 154 E C 2.202 178.955 176.600 0.256 0.000 0.985 154 E CA 1.242 57.801 56.400 0.264 0.000 0.801 154 E CB -0.608 29.269 29.700 0.296 0.000 0.750 154 E HN 0.383 nan 8.360 nan 0.000 0.452 155 V N 2.454 122.508 119.914 0.233 0.000 2.427 155 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 155 V C 2.479 178.622 176.094 0.082 0.000 1.051 155 V CA 1.688 64.061 62.300 0.121 0.000 1.048 155 V CB -0.619 31.241 31.823 0.062 0.000 0.666 155 V HN 0.341 nan 8.190 nan 0.000 0.456 156 I N -1.254 119.375 120.570 0.097 0.000 3.059 156 I HA 0.319 4.489 4.170 -0.000 0.000 0.270 156 I C 1.440 177.611 176.117 0.089 0.000 1.238 156 I CA 1.070 62.420 61.300 0.083 0.000 1.478 156 I CB -0.388 37.667 38.000 0.092 0.000 1.097 156 I HN 0.385 nan 8.210 nan 0.000 0.455 157 G N 1.735 110.594 108.800 0.098 0.000 2.142 157 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.225 157 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.225 157 G C -0.475 174.449 174.900 0.040 0.000 1.015 157 G CA 0.089 45.227 45.100 0.065 0.000 0.716 157 G HN 0.490 nan 8.290 nan 0.000 0.508 158 D N 0.805 121.246 120.400 0.067 0.000 2.487 158 D HA 0.271 4.911 4.640 -0.000 0.000 0.243 158 D C 0.418 176.517 176.300 -0.335 0.000 1.154 158 D CA 0.283 54.223 54.000 -0.099 0.000 0.876 158 D CB 0.806 41.679 40.800 0.121 0.000 1.161 158 D HN 0.203 nan 8.370 nan 0.000 0.478 159 D N 3.416 123.420 120.400 -0.659 0.000 2.470 159 D HA -0.021 4.619 4.640 -0.000 0.000 0.226 159 D C 1.202 177.037 176.300 -0.774 0.000 1.196 159 D CA -0.485 53.225 54.000 -0.484 0.000 0.979 159 D CB 0.244 40.882 40.800 -0.270 0.000 1.059 159 D HN 0.181 nan 8.370 nan 0.000 0.515 160 L N 3.790 124.707 121.223 -0.510 0.000 1.978 160 L HA -0.232 4.108 4.340 -0.000 0.000 0.218 160 L C 2.344 178.871 176.870 -0.571 0.000 1.075 160 L CA 2.046 56.526 54.840 -0.600 0.000 0.767 160 L CB -0.713 40.979 42.059 -0.612 0.000 0.890 160 L HN 0.530 nan 8.230 nan 0.000 0.434 161 Q N -1.250 118.237 119.800 -0.522 0.000 2.077 161 Q HA -0.263 4.077 4.340 -0.000 0.000 0.206 161 Q C 2.085 177.947 176.000 -0.230 0.000 0.989 161 Q CA 2.207 57.727 55.803 -0.471 0.000 0.853 161 Q CB -0.250 28.387 28.738 -0.168 0.000 0.907 161 Q HN 0.634 nan 8.270 nan 0.000 0.418 162 A N 0.224 122.961 122.820 -0.139 0.000 1.902 162 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 162 A C 1.768 179.422 177.584 0.116 0.000 1.181 162 A CA 1.301 53.337 52.037 -0.002 0.000 0.623 162 A CB -0.870 18.160 19.000 0.051 0.000 0.818 162 A HN 0.492 nan 8.150 nan 0.000 0.443 163 F N 0.115 119.972 119.950 -0.156 0.000 2.095 163 F HA -0.161 4.366 4.527 -0.000 0.000 0.298 163 F C 2.209 177.898 175.800 -0.185 0.000 1.104 163 F CA 0.736 58.634 58.000 -0.171 0.000 1.232 163 F CB -1.088 37.770 39.000 -0.238 0.000 0.987 163 F HN 0.137 nan 8.300 nan 0.000 0.475 164 I N -0.356 120.188 120.570 -0.042 0.000 2.315 164 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 164 I C 2.550 178.624 176.117 -0.071 0.000 1.117 164 I CA 1.083 62.313 61.300 -0.116 0.000 1.404 164 I CB -0.697 37.168 38.000 -0.226 0.000 1.071 164 I HN 0.046 nan 8.210 nan 0.000 0.419 165 A N 1.226 124.012 122.820 -0.056 0.000 1.898 165 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 165 A C 2.035 179.620 177.584 0.001 0.000 1.181 165 A CA 1.824 53.843 52.037 -0.029 0.000 0.620 165 A CB -0.609 18.377 19.000 -0.024 0.000 0.819 165 A HN 0.404 nan 8.150 nan 0.000 0.442 166 N N 0.915 119.625 118.700 0.018 0.000 2.120 166 N HA -0.100 4.640 4.740 -0.000 0.000 0.188 166 N C 1.833 177.378 175.510 0.058 0.000 1.024 166 N CA 1.652 54.719 53.050 0.030 0.000 0.852 166 N CB -0.739 37.756 38.487 0.012 0.000 1.003 166 N HN 0.463 nan 8.380 nan 0.000 0.424 167 A N 1.502 124.342 122.820 0.034 0.000 1.908 167 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 167 A C 2.151 179.817 177.584 0.136 0.000 1.181 167 A CA 1.539 53.640 52.037 0.107 0.000 0.627 167 A CB -0.442 18.567 19.000 0.015 0.000 0.818 167 A HN 0.266 nan 8.150 nan 0.000 0.445 168 K N -0.249 120.179 120.400 0.046 0.000 2.002 168 K HA -0.147 4.173 4.320 -0.000 0.000 0.209 168 K C 2.589 179.203 176.600 0.023 0.000 1.048 168 K CA 1.992 58.292 56.287 0.021 0.000 0.930 168 K CB -0.342 32.149 32.500 -0.015 0.000 0.714 168 K HN 0.452 nan 8.250 nan 0.000 0.438 169 K N 1.588 122.004 120.400 0.027 0.000 2.044 169 K HA -0.190 4.130 4.320 -0.000 0.000 0.210 169 K C 1.519 178.132 176.600 0.020 0.000 1.049 169 K CA 2.314 58.612 56.287 0.019 0.000 0.927 169 K CB -0.859 31.656 32.500 0.024 0.000 0.713 169 K HN 0.187 nan 8.250 nan 0.000 0.443 170 D N -1.362 119.079 120.400 0.068 0.000 2.328 170 D HA 0.221 4.861 4.640 -0.000 0.000 0.226 170 D C 1.047 177.273 176.300 -0.123 0.000 1.066 170 D CA 0.814 54.837 54.000 0.039 0.000 0.861 170 D CB 0.149 41.070 40.800 0.202 0.000 0.912 170 D HN 0.671 nan 8.370 nan 0.000 0.521 171 G N 0.302 109.051 108.800 -0.086 0.000 2.143 171 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.249 171 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.249 171 G C 0.765 175.541 174.900 -0.206 0.000 0.981 171 G CA 0.004 45.008 45.100 -0.159 0.000 0.665 171 G HN 0.338 nan 8.290 nan 0.000 0.528 172 F N -0.541 119.394 119.950 -0.025 0.000 2.367 172 F HA 0.413 4.940 4.527 -0.000 0.000 0.298 172 F C 1.594 177.384 175.800 -0.017 0.000 1.094 172 F CA 1.229 59.218 58.000 -0.019 0.000 1.409 172 F CB 0.482 39.469 39.000 -0.021 0.000 1.064 172 F HN 0.219 nan 8.300 nan 0.000 0.528 173 V N 0.163 120.156 119.914 0.131 0.000 2.588 173 V HA 0.298 4.418 4.120 -0.000 0.000 0.304 173 V C -1.001 175.104 176.094 0.017 0.000 1.042 173 V CA -0.944 61.391 62.300 0.059 0.000 0.877 173 V CB 1.533 33.372 31.823 0.028 0.000 0.996 173 V HN -0.003 nan 8.190 nan 0.000 0.425 174 D N 3.379 123.782 120.400 0.005 0.000 2.357 174 D HA 0.174 4.814 4.640 -0.000 0.000 0.242 174 D C 1.393 177.683 176.300 -0.017 0.000 1.153 174 D CA 0.830 54.825 54.000 -0.009 0.000 0.918 174 D CB 1.700 42.496 40.800 -0.006 0.000 1.181 174 D HN 0.702 nan 8.370 nan 0.000 0.435 175 S N 0.315 116.003 115.700 -0.021 0.000 2.474 175 S HA -0.168 4.302 4.470 -0.000 0.000 0.235 175 S C 1.712 176.297 174.600 -0.025 0.000 0.997 175 S CA 1.002 59.186 58.200 -0.026 0.000 0.949 175 S CB -0.521 62.664 63.200 -0.024 0.000 0.766 175 S HN 0.443 nan 8.310 nan 0.000 0.517 176 S N 0.772 116.462 115.700 -0.017 0.000 2.522 176 S HA 0.280 4.750 4.470 -0.000 0.000 0.227 176 S C 0.538 175.131 174.600 -0.011 0.000 0.986 176 S CA -0.259 57.935 58.200 -0.011 0.000 0.929 176 S CB -0.658 62.538 63.200 -0.006 0.000 0.769 176 S HN 0.572 nan 8.310 nan 0.000 0.529 177 I N 2.002 122.560 120.570 -0.020 0.000 2.359 177 I HA 0.526 4.696 4.170 -0.000 0.000 0.294 177 I C 0.301 176.384 176.117 -0.056 0.000 0.987 177 I CA -0.860 60.426 61.300 -0.023 0.000 1.225 177 I CB 1.577 39.569 38.000 -0.013 0.000 1.366 177 I HN 0.173 nan 8.210 nan 0.000 0.466 178 A N 6.235 129.022 122.820 -0.056 0.000 2.327 178 A HA 0.604 4.924 4.320 -0.000 0.000 0.283 178 A C -0.189 177.284 177.584 -0.185 0.000 1.127 178 A CA -0.306 51.637 52.037 -0.156 0.000 0.810 178 A CB 0.679 19.584 19.000 -0.158 0.000 1.066 178 A HN 0.518 nan 8.150 nan 0.000 0.492 179 V N 5.029 124.792 119.914 -0.251 0.000 2.384 179 V HA 0.231 4.351 4.120 -0.000 0.000 0.257 179 V C -2.286 173.638 176.094 -0.284 0.000 0.969 179 V CA -1.100 61.056 62.300 -0.239 0.000 0.910 179 V CB 0.582 32.288 31.823 -0.194 0.000 1.150 179 V HN 0.854 nan 8.190 nan 0.000 0.481 180 P HA 0.225 nan 4.420 nan 0.000 0.272 180 P C -0.690 176.409 177.300 -0.335 0.000 1.223 180 P CA 0.494 63.285 63.100 -0.515 0.000 0.784 180 P CB 0.833 31.944 31.700 -0.982 0.000 0.923 181 H N -0.133 118.741 119.070 -0.327 0.000 2.980 181 H HA 0.817 5.373 4.556 0.000 0.000 0.367 181 H C -1.967 173.253 175.328 -0.180 0.000 1.206 181 H CA -1.312 54.590 56.048 -0.243 0.000 1.126 181 H CB 1.807 31.421 29.762 -0.248 0.000 1.838 181 H HN 0.612 nan 8.280 nan 0.000 0.552 182 A N 1.926 124.677 122.820 -0.116 0.000 2.547 182 A HA 0.334 4.654 4.320 -0.000 0.000 0.297 182 A C -1.430 176.120 177.584 -0.057 0.000 1.056 182 A CA -0.785 51.195 52.037 -0.094 0.000 0.688 182 A CB 1.337 20.315 19.000 -0.037 0.000 1.282 182 A HN 0.809 nan 8.150 nan 0.000 0.400 183 H N 1.822 120.929 119.070 0.062 0.000 2.767 183 H HA 0.365 4.921 4.556 -0.000 0.000 0.316 183 H C 0.082 175.422 175.328 0.020 0.000 1.059 183 H CA 1.441 57.520 56.048 0.051 0.000 1.461 183 H CB 0.973 30.756 29.762 0.036 0.000 1.475 183 H HN 0.671 nan 8.280 nan 0.000 0.531 184 T N 1.553 116.166 114.554 0.099 0.000 3.410 184 T HA 0.218 4.568 4.350 -0.000 0.000 0.328 184 T C -2.926 171.744 174.700 -0.050 0.000 1.567 184 T CA -1.895 60.224 62.100 0.031 0.000 1.626 184 T CB 0.908 69.803 68.868 0.045 0.000 0.939 184 T HN 0.293 nan 8.240 nan 0.000 0.656 185 P HA 0.164 nan 4.420 nan 0.000 0.276 185 P C 1.198 178.190 177.300 -0.514 0.000 1.243 185 P CA -0.166 62.615 63.100 -0.531 0.000 0.768 185 P CB 1.425 32.547 31.700 -0.964 0.000 0.856 186 S N 2.967 118.453 115.700 -0.357 0.000 2.447 186 S HA -0.151 4.319 4.470 -0.000 0.000 0.233 186 S C 1.238 175.781 174.600 -0.096 0.000 1.006 186 S CA 0.530 58.656 58.200 -0.123 0.000 0.957 186 S CB -1.254 61.975 63.200 0.048 0.000 0.773 186 S HN 0.479 nan 8.310 nan 0.000 0.507 187 F N 0.666 120.641 119.950 0.042 0.000 2.693 187 F HA 0.598 5.125 4.527 0.000 0.000 0.303 187 F C 0.140 175.953 175.800 0.022 0.000 1.143 187 F CA -1.339 56.677 58.000 0.026 0.000 1.389 187 F CB -0.576 38.441 39.000 0.027 0.000 1.060 187 F HN 0.043 nan 8.300 nan 0.000 0.535 188 I N 0.873 121.380 120.570 -0.104 0.000 2.466 188 I HA 0.589 4.759 4.170 -0.000 0.000 0.289 188 I C 0.868 176.957 176.117 -0.047 0.000 1.026 188 I CA -0.555 60.728 61.300 -0.028 0.000 1.078 188 I CB 1.330 39.296 38.000 -0.058 0.000 1.249 188 I HN 0.370 nan 8.210 nan 0.000 0.429 189 G N 5.393 114.179 108.800 -0.022 0.000 2.583 189 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.292 189 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.292 189 G C -0.091 174.758 174.900 -0.085 0.000 1.203 189 G CA 0.317 45.386 45.100 -0.051 0.000 0.987 189 G HN 1.103 nan 8.290 nan 0.000 0.554 190 S N -2.607 113.021 115.700 -0.120 0.000 2.800 190 S HA 0.595 5.065 4.470 -0.000 0.000 0.293 190 S C 1.072 175.569 174.600 -0.170 0.000 1.209 190 S CA 0.712 58.825 58.200 -0.145 0.000 0.884 190 S CB 0.644 63.700 63.200 -0.239 0.000 1.244 190 S HN 1.873 nan 8.310 nan 0.000 0.540 191 H N 0.869 119.864 119.070 -0.124 0.000 2.422 191 H HA -0.065 4.491 4.556 -0.000 0.000 0.298 191 H C 2.144 177.421 175.328 -0.085 0.000 1.098 191 H CA 2.128 58.101 56.048 -0.125 0.000 1.315 191 H CB -1.203 28.408 29.762 -0.252 0.000 1.382 191 H HN 0.627 nan 8.280 nan 0.000 0.523 192 V N -0.058 119.421 119.914 -0.725 0.000 2.626 192 V HA -0.137 3.983 4.120 -0.000 0.000 0.252 192 V C 2.118 178.217 176.094 0.008 0.000 1.067 192 V CA 1.809 63.947 62.300 -0.270 0.000 1.081 192 V CB -1.041 30.585 31.823 -0.327 0.000 0.686 192 V HN 0.368 nan 8.190 nan 0.000 0.468 193 T N 1.161 115.692 114.554 -0.038 0.000 2.857 193 T HA 0.064 4.414 4.350 -0.000 0.000 0.266 193 T C 1.961 176.733 174.700 0.119 0.000 1.048 193 T CA 1.467 63.593 62.100 0.044 0.000 1.139 193 T CB -0.724 68.140 68.868 -0.007 0.000 0.874 193 T HN 0.676 nan 8.240 nan 0.000 0.455 194 G N -0.012 108.859 108.800 0.117 0.000 2.418 194 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 194 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 194 G C 1.350 176.402 174.900 0.253 0.000 1.158 194 G CA 0.512 45.703 45.100 0.152 0.000 0.771 194 G HN 0.575 nan 8.290 nan 0.000 0.545 195 W N 1.124 122.532 121.300 0.180 0.000 2.335 195 W HA -0.123 4.537 4.660 -0.000 0.000 0.311 195 W C 2.256 178.911 176.519 0.226 0.000 1.213 195 W CA 1.622 59.113 57.345 0.243 0.000 1.274 195 W CB -0.009 29.641 29.460 0.316 0.000 1.148 195 W HN 0.310 nan 8.180 nan 0.000 0.498 196 D N -0.294 120.460 120.400 0.589 0.000 2.117 196 D HA -0.230 4.410 4.640 -0.000 0.000 0.197 196 D C 1.799 178.283 176.300 0.308 0.000 0.987 196 D CA 1.685 55.962 54.000 0.461 0.000 0.829 196 D CB -0.438 40.535 40.800 0.289 0.000 0.961 196 D HN 0.015 nan 8.370 nan 0.000 0.460 197 N N -0.247 118.582 118.700 0.216 0.000 2.166 197 N HA -0.147 4.593 4.740 -0.000 0.000 0.186 197 N C 1.641 177.220 175.510 0.116 0.000 1.019 197 N CA 0.764 53.898 53.050 0.139 0.000 0.856 197 N CB -0.364 38.185 38.487 0.103 0.000 0.993 197 N HN 0.280 nan 8.380 nan 0.000 0.426 198 M N -0.236 119.436 119.600 0.120 0.000 2.175 198 M HA -0.024 4.456 4.480 -0.000 0.000 0.264 198 M C 1.760 178.154 176.300 0.156 0.000 1.063 198 M CA 1.094 56.453 55.300 0.097 0.000 1.119 198 M CB -0.471 32.164 32.600 0.059 0.000 1.377 198 M HN 0.103 nan 8.290 nan 0.000 0.415 199 F N 0.532 120.475 119.950 -0.012 0.000 2.134 199 F HA -0.200 4.327 4.527 -0.000 0.000 0.299 199 F C 2.293 178.161 175.800 0.113 0.000 1.097 199 F CA 2.235 60.252 58.000 0.029 0.000 1.264 199 F CB -0.412 38.620 39.000 0.053 0.000 1.001 199 F HN 0.331 nan 8.300 nan 0.000 0.479 200 E N -0.162 120.163 120.200 0.209 0.000 2.085 200 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 200 E C 2.462 179.025 176.600 -0.063 0.000 0.994 200 E CA 1.190 57.631 56.400 0.069 0.000 0.801 200 E CB -0.696 29.051 29.700 0.079 0.000 0.743 200 E HN 0.519 nan 8.360 nan 0.000 0.453 201 G N 0.175 108.919 108.800 -0.094 0.000 2.418 201 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.217 201 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.217 201 G C 1.278 176.015 174.900 -0.272 0.000 1.158 201 G CA 0.735 45.687 45.100 -0.248 0.000 0.771 201 G HN 0.246 nan 8.290 nan 0.000 0.545 202 F N 1.770 121.532 119.950 -0.313 0.000 2.095 202 F HA -0.023 4.504 4.527 0.000 0.000 0.298 202 F C 3.110 178.816 175.800 -0.157 0.000 1.104 202 F CA 1.262 59.081 58.000 -0.302 0.000 1.232 202 F CB -0.416 38.194 39.000 -0.649 0.000 0.987 202 F HN 0.240 nan 8.300 nan 0.000 0.475 203 A N -0.014 122.760 122.820 -0.077 0.000 1.908 203 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 203 A C 2.312 179.948 177.584 0.087 0.000 1.181 203 A CA 1.682 53.754 52.037 0.058 0.000 0.627 203 A CB -0.483 18.482 19.000 -0.059 0.000 0.818 203 A HN 0.172 nan 8.150 nan 0.000 0.445 204 K N -0.642 119.738 120.400 -0.033 0.000 2.001 204 K HA -0.085 4.235 4.320 -0.000 0.000 0.208 204 K C 2.099 178.643 176.600 -0.094 0.000 1.048 204 K CA 1.817 58.075 56.287 -0.048 0.000 0.932 204 K CB -1.333 31.103 32.500 -0.106 0.000 0.715 204 K HN 0.488 nan 8.250 nan 0.000 0.437 205 T N 1.055 115.473 114.554 -0.227 0.000 2.720 205 T HA -0.104 4.246 4.350 -0.000 0.000 0.268 205 T C 1.586 176.002 174.700 -0.474 0.000 1.037 205 T CA 1.387 63.225 62.100 -0.437 0.000 1.144 205 T CB -0.210 68.213 68.868 -0.742 0.000 0.864 205 T HN 0.089 nan 8.240 nan 0.000 0.444 206 F N 0.771 120.676 119.950 -0.075 0.000 2.746 206 F HA 0.192 4.719 4.527 0.000 0.000 0.297 206 F C 2.290 178.076 175.800 -0.022 0.000 1.113 206 F CA 0.529 58.496 58.000 -0.054 0.000 1.367 206 F CB 0.197 39.164 39.000 -0.055 0.000 1.111 206 F HN 0.216 nan 8.300 nan 0.000 0.590 207 T N -4.772 109.894 114.554 0.187 0.000 3.130 207 T HA 0.400 4.750 4.350 -0.000 0.000 0.288 207 T C 1.720 176.566 174.700 0.243 0.000 0.936 207 T CA 0.482 62.708 62.100 0.210 0.000 0.897 207 T CB -0.197 68.882 68.868 0.351 0.000 1.178 207 T HN -0.021 nan 8.240 nan 0.000 0.543 208 A N 3.001 125.916 122.820 0.158 0.000 1.972 208 A HA -0.036 4.284 4.320 -0.000 0.000 0.219 208 A C 1.960 179.622 177.584 0.131 0.000 1.169 208 A CA 1.722 53.841 52.037 0.137 0.000 0.635 208 A CB -0.643 18.393 19.000 0.061 0.000 0.810 208 A HN 0.701 nan 8.150 nan 0.000 0.446 209 D N -2.585 117.885 120.400 0.118 0.000 2.328 209 D HA 0.018 4.658 4.640 -0.000 0.000 0.221 209 D C 0.125 176.512 176.300 0.145 0.000 1.072 209 D CA -0.303 53.758 54.000 0.102 0.000 0.850 209 D CB -0.525 40.313 40.800 0.065 0.000 0.922 209 D HN 0.400 nan 8.370 nan 0.000 0.516 210 Y N 1.123 121.449 120.300 0.043 0.000 2.308 210 Y HA 0.315 4.865 4.550 -0.000 0.000 0.329 210 Y C -0.135 175.783 175.900 0.030 0.000 1.111 210 Y CA -0.727 57.389 58.100 0.026 0.000 1.179 210 Y CB 1.406 39.873 38.460 0.012 0.000 1.201 210 Y HN -0.189 nan 8.280 nan 0.000 0.483 211 Q N 5.008 124.497 119.800 -0.518 0.000 2.456 211 Q HA 0.493 4.833 4.340 -0.000 0.000 0.234 211 Q C 0.027 175.697 176.000 -0.549 0.000 1.061 211 Q CA -0.231 55.348 55.803 -0.374 0.000 0.896 211 Q CB 0.110 28.686 28.738 -0.269 0.000 1.233 211 Q HN 1.057 nan 8.270 nan 0.000 0.506 212 G N 1.421 110.097 108.800 -0.207 0.000 2.528 212 G HA2 0.564 4.524 3.960 -0.000 0.000 0.289 212 G HA3 0.564 4.524 3.960 -0.000 0.000 0.289 212 G C -0.413 174.479 174.900 -0.015 0.000 1.192 212 G CA 0.233 45.311 45.100 -0.038 0.000 0.921 212 G HN 0.919 nan 8.290 nan 0.000 0.512 213 Q N 0.453 120.267 119.800 0.023 0.000 2.589 213 Q HA 0.601 4.941 4.340 -0.000 0.000 0.245 213 Q C -2.889 173.133 176.000 0.037 0.000 0.931 213 Q CA -1.616 54.200 55.803 0.020 0.000 0.730 213 Q CB 1.381 30.118 28.738 -0.002 0.000 1.315 213 Q HN 0.524 nan 8.270 nan 0.000 0.469 214 P HA 0.269 nan 4.420 nan 0.000 0.261 214 P C 1.226 178.547 177.300 0.037 0.000 1.183 214 P CA 2.377 65.509 63.100 0.053 0.000 0.761 214 P CB 0.947 32.691 31.700 0.073 0.000 0.785 215 G N 2.885 111.703 108.800 0.030 0.000 2.176 215 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.253 215 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.253 215 G C 1.170 176.080 174.900 0.017 0.000 0.979 215 G CA 0.488 45.602 45.100 0.022 0.000 0.641 215 G HN 0.592 nan 8.290 nan 0.000 0.530 216 K N -0.252 120.159 120.400 0.018 0.000 2.103 216 K HA 0.110 4.430 4.320 -0.000 0.000 0.207 216 K C 0.977 177.584 176.600 0.013 0.000 1.048 216 K CA 0.928 57.225 56.287 0.016 0.000 0.930 216 K CB -0.138 32.376 32.500 0.023 0.000 0.716 216 K HN 0.453 nan 8.250 nan 0.000 0.444 217 L N 2.173 123.402 121.223 0.010 0.000 2.295 217 L HA 0.300 4.640 4.340 -0.000 0.000 0.285 217 L C -2.078 174.794 176.870 0.004 0.000 1.035 217 L CA -2.196 52.645 54.840 0.003 0.000 0.806 217 L CB 1.696 43.750 42.059 -0.009 0.000 1.214 217 L HN 0.036 nan 8.230 nan 0.000 0.426 218 P HA 0.066 nan 4.420 nan 0.000 0.226 218 P C -0.989 176.315 177.300 0.007 0.000 1.758 218 P CA -0.048 63.056 63.100 0.007 0.000 0.896 218 P CB -0.347 31.357 31.700 0.006 0.000 1.784 219 K N 0.120 120.524 120.400 0.007 0.000 2.400 219 K HA 0.626 4.946 4.320 -0.000 0.000 0.246 219 K C -1.258 175.352 176.600 0.017 0.000 0.995 219 K CA -1.193 55.099 56.287 0.008 0.000 0.840 219 K CB 1.656 34.156 32.500 -0.000 0.000 1.293 219 K HN -0.062 nan 8.250 nan 0.000 0.445 220 L N 1.819 123.056 121.223 0.022 0.000 2.334 220 L HA 0.394 4.734 4.340 -0.000 0.000 0.276 220 L C -0.527 176.372 176.870 0.047 0.000 1.014 220 L CA -1.247 53.615 54.840 0.036 0.000 0.815 220 L CB 1.806 43.883 42.059 0.030 0.000 1.268 220 L HN 0.666 nan 8.230 nan 0.000 0.428 221 N N 3.327 122.073 118.700 0.077 0.000 2.515 221 N HA 0.620 5.360 4.740 -0.000 0.000 0.279 221 N C -0.928 174.647 175.510 0.108 0.000 1.164 221 N CA -0.308 52.807 53.050 0.109 0.000 0.982 221 N CB 1.859 40.456 38.487 0.185 0.000 1.170 221 N HN 0.373 nan 8.380 nan 0.000 0.474 222 L N 0.764 122.053 121.223 0.111 0.000 2.408 222 L HA 0.544 4.884 4.340 -0.000 0.000 0.268 222 L C -0.781 176.160 176.870 0.118 0.000 0.986 222 L CA -1.029 53.866 54.840 0.092 0.000 0.820 222 L CB 2.165 44.270 42.059 0.078 0.000 1.303 222 L HN 0.042 nan 8.230 nan 0.000 0.411 223 V N 0.697 120.652 119.914 0.068 0.000 2.444 223 V HA 0.226 4.346 4.120 -0.000 0.000 0.294 223 V C 0.881 176.974 176.094 -0.002 0.000 1.022 223 V CA -0.229 62.097 62.300 0.043 0.000 0.850 223 V CB 1.536 33.281 31.823 -0.129 0.000 0.992 223 V HN 0.970 nan 8.190 nan 0.000 0.426 224 T N 0.906 115.485 114.554 0.043 0.000 3.035 224 T HA 0.350 4.700 4.350 -0.000 0.000 0.259 224 T C 1.113 175.651 174.700 -0.270 0.000 1.078 224 T CA 0.730 62.836 62.100 0.010 0.000 1.132 224 T CB 0.085 68.951 68.868 -0.002 0.000 0.900 224 T HN 1.670 nan 8.240 nan 0.000 0.480 225 G N 1.580 109.841 108.800 -0.899 0.000 2.698 225 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.233 225 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.233 225 G C -0.508 173.474 174.900 -1.531 0.000 1.352 225 G CA -0.360 43.761 45.100 -1.632 0.000 0.879 225 G HN 0.653 nan 8.290 nan 0.000 0.567 226 F N 2.032 121.247 119.950 -1.225 0.000 2.519 226 F HA 0.561 5.088 4.527 -0.000 0.000 0.375 226 F C 0.392 176.032 175.800 -0.266 0.000 1.084 226 F CA 0.571 58.225 58.000 -0.576 0.000 1.147 226 F CB 0.763 39.668 39.000 -0.158 0.000 1.088 226 F HN 0.714 nan 8.300 nan 0.000 0.555 227 E N 3.190 123.193 120.200 -0.329 0.000 2.304 227 E HA 0.275 4.625 4.350 -0.000 0.000 0.277 227 E C -0.401 176.089 176.600 -0.183 0.000 0.898 227 E CA -0.387 55.858 56.400 -0.260 0.000 0.764 227 E CB 1.430 30.830 29.700 -0.501 0.000 1.216 227 E HN 0.459 nan 8.360 nan 0.000 0.419 228 T N 0.576 115.011 114.554 -0.198 0.000 3.200 228 T HA 0.313 4.663 4.350 -0.000 0.000 0.284 228 T C -0.357 174.372 174.700 0.049 0.000 1.009 228 T CA -0.166 61.890 62.100 -0.073 0.000 0.907 228 T CB -0.394 68.157 68.868 -0.529 0.000 1.120 228 T HN 0.265 nan 8.240 nan 0.000 0.534 229 Y N 1.402 121.736 120.300 0.057 0.000 2.353 229 Y HA 0.520 5.070 4.550 0.000 0.000 0.340 229 Y C 1.301 177.268 175.900 0.112 0.000 0.972 229 Y CA -1.561 56.568 58.100 0.049 0.000 1.157 229 Y CB 1.213 39.575 38.460 -0.163 0.000 1.157 229 Y HN -0.008 nan 8.280 nan 0.000 0.495 230 L N 2.168 123.618 121.223 0.379 0.000 2.131 230 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 230 L C 2.292 179.296 176.870 0.223 0.000 1.092 230 L CA 1.408 56.456 54.840 0.346 0.000 0.759 230 L CB -0.522 41.679 42.059 0.237 0.000 0.903 230 L HN 0.948 nan 8.230 nan 0.000 0.435 231 G N -0.006 108.865 108.800 0.117 0.000 2.462 231 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.220 231 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.220 231 G C 1.385 176.243 174.900 -0.068 0.000 1.121 231 G CA 0.621 45.732 45.100 0.018 0.000 0.758 231 G HN 0.333 nan 8.290 nan 0.000 0.559 232 N N 0.390 118.951 118.700 -0.232 0.000 2.216 232 N HA -0.024 4.716 4.740 -0.000 0.000 0.183 232 N C 1.791 177.078 175.510 -0.371 0.000 1.017 232 N CA 0.636 53.392 53.050 -0.490 0.000 0.861 232 N CB -0.434 37.343 38.487 -1.183 0.000 0.986 232 N HN 0.357 nan 8.380 nan 0.000 0.428 233 F N 1.370 121.238 119.950 -0.137 0.000 2.146 233 F HA 0.010 4.537 4.527 -0.000 0.000 0.298 233 F C 2.368 178.148 175.800 -0.034 0.000 1.096 233 F CA 0.883 58.842 58.000 -0.068 0.000 1.275 233 F CB -0.217 38.734 39.000 -0.081 0.000 1.008 233 F HN -0.057 nan 8.300 nan 0.000 0.480 234 R N -0.427 120.158 120.500 0.142 0.000 2.090 234 R HA -0.071 4.269 4.340 -0.000 0.000 0.228 234 R C 2.277 178.604 176.300 0.045 0.000 1.110 234 R CA 1.038 57.185 56.100 0.079 0.000 0.973 234 R CB -0.811 29.526 30.300 0.062 0.000 0.869 234 R HN 0.197 nan 8.270 nan 0.000 0.440 235 V N 1.237 121.166 119.914 0.025 0.000 2.548 235 V HA -0.145 3.974 4.120 -0.000 0.000 0.249 235 V C 1.914 178.025 176.094 0.027 0.000 1.055 235 V CA 1.457 63.768 62.300 0.019 0.000 1.065 235 V CB -0.126 31.701 31.823 0.006 0.000 0.681 235 V HN 0.262 nan 8.190 nan 0.000 0.462 236 L N -0.447 120.804 121.223 0.046 0.000 2.046 236 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 236 L C 2.676 179.570 176.870 0.040 0.000 1.077 236 L CA 1.826 56.697 54.840 0.052 0.000 0.747 236 L CB -0.645 41.467 42.059 0.088 0.000 0.896 236 L HN 0.236 nan 8.230 nan 0.000 0.432 237 K N -0.465 119.964 120.400 0.048 0.000 2.057 237 K HA -0.171 4.149 4.320 -0.000 0.000 0.206 237 K C 2.295 178.909 176.600 0.024 0.000 1.050 237 K CA 0.787 57.095 56.287 0.035 0.000 0.935 237 K CB -0.215 32.307 32.500 0.037 0.000 0.715 237 K HN 0.153 nan 8.250 nan 0.000 0.439 238 R N 1.425 121.939 120.500 0.024 0.000 2.081 238 R HA -0.056 4.284 4.340 -0.000 0.000 0.235 238 R C 2.068 178.378 176.300 0.017 0.000 1.131 238 R CA 1.492 57.604 56.100 0.019 0.000 0.960 238 R CB -0.232 30.080 30.300 0.020 0.000 0.856 238 R HN 0.229 nan 8.270 nan 0.000 0.436 239 M N -0.225 119.383 119.600 0.013 0.000 2.132 239 M HA -0.133 4.347 4.480 -0.000 0.000 0.263 239 M C 2.282 178.587 176.300 0.008 0.000 1.065 239 M CA 1.286 56.591 55.300 0.008 0.000 1.122 239 M CB -0.189 32.400 32.600 -0.018 0.000 1.365 239 M HN 0.036 nan 8.290 nan 0.000 0.411 240 M N -0.338 119.267 119.600 0.008 0.000 2.159 240 M HA -0.167 4.313 4.480 -0.000 0.000 0.263 240 M C 2.135 178.442 176.300 0.010 0.000 1.063 240 M CA 1.630 56.936 55.300 0.009 0.000 1.110 240 M CB -1.378 31.229 32.600 0.012 0.000 1.374 240 M HN 0.291 nan 8.290 nan 0.000 0.411 241 E N 0.394 120.601 120.200 0.011 0.000 2.077 241 E HA -0.197 4.152 4.350 -0.000 0.000 0.193 241 E C 1.909 178.516 176.600 0.011 0.000 0.989 241 E CA 1.505 57.911 56.400 0.010 0.000 0.800 241 E CB -0.260 29.446 29.700 0.010 0.000 0.746 241 E HN 0.703 nan 8.360 nan 0.000 0.452 242 Q N -1.112 118.697 119.800 0.015 0.000 2.124 242 Q HA -0.058 4.282 4.340 -0.000 0.000 0.202 242 Q C 2.367 178.377 176.000 0.017 0.000 0.977 242 Q CA 1.700 57.514 55.803 0.018 0.000 0.850 242 Q CB -0.176 28.578 28.738 0.026 0.000 0.901 242 Q HN 0.394 nan 8.270 nan 0.000 0.429 243 M N -0.870 118.739 119.600 0.015 0.000 2.374 243 M HA 0.005 4.485 4.480 -0.000 0.000 0.264 243 M C 1.095 177.401 176.300 0.010 0.000 1.067 243 M CA 1.044 56.351 55.300 0.013 0.000 1.103 243 M CB -0.700 31.905 32.600 0.009 0.000 1.402 243 M HN 0.275 nan 8.290 nan 0.000 0.444 244 A N 0.145 122.970 122.820 0.009 0.000 2.925 244 A HA -0.117 4.203 4.320 -0.000 0.000 0.265 244 A C 0.159 177.747 177.584 0.006 0.000 1.419 244 A CA 0.459 52.501 52.037 0.007 0.000 0.807 244 A CB -2.215 16.789 19.000 0.007 0.000 1.043 244 A HN 0.240 nan 8.150 nan 0.000 0.600 245 V N 0.884 120.802 119.914 0.007 0.000 2.328 245 V HA 0.416 4.536 4.120 -0.000 0.000 0.278 245 V C -1.923 174.175 176.094 0.007 0.000 1.021 245 V CA -1.509 60.794 62.300 0.007 0.000 0.838 245 V CB 1.401 33.228 31.823 0.007 0.000 0.999 245 V HN 0.354 nan 8.190 nan 0.000 0.447 246 P HA 0.176 nan 4.420 nan 0.000 0.266 246 P C -0.501 176.803 177.300 0.007 0.000 1.193 246 P CA 0.109 63.211 63.100 0.003 0.000 0.770 246 P CB 0.311 32.011 31.700 0.000 0.000 0.836 247 C N -0.095 119.209 119.300 0.007 0.000 3.239 247 C HA 0.800 5.260 4.460 -0.000 0.000 0.317 247 C C -0.993 174.004 174.990 0.011 0.000 1.310 247 C CA -0.468 58.559 59.018 0.014 0.000 1.371 247 C CB 1.289 29.042 27.740 0.021 0.000 1.714 247 C HN 0.459 nan 8.230 nan 0.000 0.473 248 S N 1.506 117.218 115.700 0.020 0.000 2.557 248 S HA 0.719 5.189 4.470 -0.000 0.000 0.291 248 S C -0.993 173.634 174.600 0.045 0.000 1.116 248 S CA -0.375 57.834 58.200 0.016 0.000 0.992 248 S CB 1.288 64.489 63.200 0.001 0.000 1.028 248 S HN 0.727 nan 8.310 nan 0.000 0.484 249 L N 2.923 124.168 121.223 0.038 0.000 2.349 249 L HA 0.406 4.746 4.340 -0.000 0.000 0.275 249 L C -0.358 176.536 176.870 0.039 0.000 1.115 249 L CA 0.267 55.150 54.840 0.072 0.000 0.820 249 L CB 0.249 42.365 42.059 0.095 0.000 1.135 249 L HN 0.556 nan 8.230 nan 0.000 0.445 250 L N 3.491 124.793 121.223 0.132 0.000 2.314 250 L HA 0.446 4.786 4.340 -0.000 0.000 0.275 250 L C 0.128 177.039 176.870 0.068 0.000 1.068 250 L CA -0.388 54.547 54.840 0.157 0.000 0.894 250 L CB 0.544 42.910 42.059 0.511 0.000 1.275 250 L HN 0.765 nan 8.230 nan 0.000 0.432 251 S N 2.482 117.864 115.700 -0.530 0.000 3.488 251 S HA -0.123 4.347 4.470 -0.000 0.000 0.820 251 S C -1.012 173.428 174.600 -0.268 0.000 0.493 251 S CA -0.444 57.350 58.200 -0.676 0.000 1.476 251 S CB -0.302 62.770 63.200 -0.213 0.000 0.932 251 S HN 0.834 nan 8.310 nan 0.000 1.058 252 D N 5.718 125.852 120.400 -0.443 0.000 2.330 252 D HA 0.423 5.063 4.640 -0.000 0.000 0.249 252 D C -1.674 174.268 176.300 -0.596 0.000 1.306 252 D CA -1.588 52.123 54.000 -0.482 0.000 0.956 252 D CB 1.485 42.125 40.800 -0.266 0.000 1.261 252 D HN 0.304 nan 8.370 nan 0.000 0.544 253 P HA 0.021 nan 4.420 nan 0.000 0.257 253 P C 0.898 177.845 177.300 -0.588 0.000 1.325 253 P CA 0.079 62.818 63.100 -0.600 0.000 0.850 253 P CB 0.155 31.506 31.700 -0.583 0.000 1.324 254 S N -0.695 114.623 115.700 -0.637 0.000 2.447 254 S HA -0.080 4.390 4.470 -0.000 0.000 0.233 254 S C 1.720 176.192 174.600 -0.213 0.000 1.006 254 S CA 0.687 58.662 58.200 -0.374 0.000 0.957 254 S CB -0.592 62.472 63.200 -0.225 0.000 0.773 254 S HN 0.051 nan 8.310 nan 0.000 0.507 255 E N 0.792 120.871 120.200 -0.201 0.000 2.122 255 E HA 0.090 4.440 4.350 -0.000 0.000 0.190 255 E C 2.149 178.669 176.600 -0.133 0.000 0.977 255 E CA 0.718 57.039 56.400 -0.131 0.000 0.820 255 E CB -0.524 29.110 29.700 -0.110 0.000 0.770 255 E HN 0.437 nan 8.360 nan 0.000 0.462 256 V N 0.972 120.783 119.914 -0.172 0.000 3.041 256 V HA -0.057 4.063 4.120 -0.000 0.000 0.260 256 V C 1.663 177.647 176.094 -0.182 0.000 1.105 256 V CA 0.747 62.957 62.300 -0.151 0.000 1.125 256 V CB -0.130 31.613 31.823 -0.133 0.000 0.730 256 V HN 0.140 nan 8.190 nan 0.000 0.479 257 L N -0.056 121.011 121.223 -0.260 0.000 2.685 257 L HA 0.364 4.704 4.340 -0.000 0.000 0.233 257 L C 0.261 177.053 176.870 -0.130 0.000 1.173 257 L CA 0.292 54.944 54.840 -0.313 0.000 0.961 257 L CB 0.217 41.883 42.059 -0.653 0.000 1.217 257 L HN 0.238 nan 8.230 nan 0.000 0.478 258 D N 0.003 120.364 120.400 -0.064 0.000 3.453 258 D HA 0.033 4.673 4.640 -0.000 0.000 0.312 258 D C 0.228 176.530 176.300 0.003 0.000 1.349 258 D CA -0.111 53.896 54.000 0.012 0.000 0.739 258 D CB 0.499 41.316 40.800 0.029 0.000 1.312 258 D HN 0.038 nan 8.370 nan 0.000 0.628 259 T N -0.529 114.026 114.554 0.003 0.000 2.910 259 T HA 0.640 4.990 4.350 -0.000 0.000 0.293 259 T C -1.964 172.755 174.700 0.032 0.000 1.015 259 T CA -1.233 60.870 62.100 0.006 0.000 1.094 259 T CB 1.359 70.226 68.868 -0.002 0.000 0.968 259 T HN -0.000 nan 8.240 nan 0.000 0.521 260 P HA 0.351 nan 4.420 nan 0.000 0.275 260 P C -0.875 176.460 177.300 0.057 0.000 1.228 260 P CA -0.608 62.516 63.100 0.040 0.000 0.786 260 P CB 0.495 32.215 31.700 0.034 0.000 0.927 261 A N 2.409 125.260 122.820 0.051 0.000 2.650 261 A HA 0.290 4.610 4.320 -0.000 0.000 0.320 261 A C 0.464 178.075 177.584 0.045 0.000 1.466 261 A CA -0.363 51.706 52.037 0.053 0.000 1.099 261 A CB -0.679 18.348 19.000 0.045 0.000 1.136 261 A HN 0.590 nan 8.150 nan 0.000 0.532 262 D N 1.041 121.477 120.400 0.061 0.000 2.540 262 D HA 0.281 4.921 4.640 -0.000 0.000 0.229 262 D C 0.883 177.193 176.300 0.017 0.000 1.250 262 D CA 0.519 54.558 54.000 0.065 0.000 0.817 262 D CB -0.139 40.729 40.800 0.113 0.000 1.060 262 D HN 1.018 nan 8.370 nan 0.000 0.508 263 G N 0.032 108.797 108.800 -0.057 0.000 2.179 263 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.220 263 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.220 263 G C -0.284 174.353 174.900 -0.438 0.000 0.990 263 G CA -0.178 44.780 45.100 -0.236 0.000 0.646 263 G HN 0.578 nan 8.290 nan 0.000 0.517 264 H N -1.237 117.864 119.070 0.053 0.000 2.600 264 H HA 0.584 5.140 4.556 -0.000 0.000 0.357 264 H C -0.872 174.520 175.328 0.107 0.000 1.106 264 H CA -0.835 55.251 56.048 0.064 0.000 1.193 264 H CB 1.546 31.325 29.762 0.028 0.000 1.594 264 H HN 0.225 nan 8.280 nan 0.000 0.526 265 Y N 2.813 123.174 120.300 0.102 0.000 2.327 265 Y HA 0.371 4.921 4.550 -0.000 0.000 0.336 265 Y C -0.470 175.454 175.900 0.039 0.000 1.035 265 Y CA -1.026 57.102 58.100 0.048 0.000 1.165 265 Y CB 0.581 39.053 38.460 0.019 0.000 1.181 265 Y HN 0.551 nan 8.280 nan 0.000 0.494 266 R N 7.910 128.102 120.500 -0.513 0.000 2.272 266 R HA 0.216 4.556 4.340 -0.000 0.000 0.323 266 R C 1.131 176.916 176.300 -0.859 0.000 1.002 266 R CA -0.406 55.374 56.100 -0.532 0.000 0.900 266 R CB 1.043 31.212 30.300 -0.218 0.000 1.151 266 R HN 0.966 nan 8.270 nan 0.000 0.507 267 M N 2.065 121.006 119.600 -1.099 0.000 2.213 267 M HA -0.047 4.433 4.480 -0.000 0.000 0.263 267 M C -0.633 175.262 176.300 -0.673 0.000 1.062 267 M CA 1.717 56.462 55.300 -0.926 0.000 1.105 267 M CB 0.381 32.462 32.600 -0.864 0.000 1.385 267 M HN 0.357 nan 8.290 nan 0.000 0.417 268 Y N -0.416 119.778 120.300 -0.176 0.000 2.429 268 Y HA 0.639 5.189 4.550 -0.000 0.000 0.342 268 Y C -0.408 175.422 175.900 -0.117 0.000 1.004 268 Y CA -1.368 56.668 58.100 -0.108 0.000 1.075 268 Y CB 1.830 40.255 38.460 -0.059 0.000 1.214 268 Y HN 0.000 nan 8.280 nan 0.000 0.455 269 S N 1.291 117.019 115.700 0.045 0.000 2.584 269 S HA 0.577 5.047 4.470 -0.000 0.000 0.280 269 S C -0.021 174.552 174.600 -0.045 0.000 1.162 269 S CA 0.041 58.231 58.200 -0.016 0.000 0.951 269 S CB 0.422 63.589 63.200 -0.055 0.000 1.108 269 S HN 1.528 nan 8.310 nan 0.000 0.464 270 G N 3.375 112.146 108.800 -0.049 0.000 2.574 270 G HA2 0.294 4.254 3.960 -0.000 0.000 0.286 270 G HA3 0.294 4.254 3.960 -0.000 0.000 0.286 270 G C 0.979 175.821 174.900 -0.096 0.000 1.212 270 G CA 0.541 45.596 45.100 -0.076 0.000 0.979 270 G HN 2.549 nan 8.290 nan 0.000 0.557 271 G N -3.334 105.378 108.800 -0.146 0.000 2.730 271 G HA2 0.353 4.313 3.960 -0.000 0.000 0.686 271 G HA3 0.353 4.313 3.960 -0.000 0.000 0.686 271 G C -0.031 174.753 174.900 -0.193 0.000 1.343 271 G CA 0.377 45.357 45.100 -0.200 0.000 0.826 271 G HN 2.063 nan 8.290 nan 0.000 0.582 272 T N 1.972 116.344 114.554 -0.304 0.000 2.867 272 T HA 0.454 4.804 4.350 -0.000 0.000 0.297 272 T C 1.420 176.051 174.700 -0.116 0.000 0.989 272 T CA 0.956 62.904 62.100 -0.252 0.000 1.159 272 T CB 0.346 68.932 68.868 -0.470 0.000 0.928 272 T HN 1.427 nan 8.240 nan 0.000 0.538 273 T N 1.848 116.346 114.554 -0.094 0.000 2.816 273 T HA 0.197 4.547 4.350 -0.000 0.000 0.282 273 T C 1.362 175.988 174.700 -0.122 0.000 0.993 273 T CA -0.764 61.286 62.100 -0.085 0.000 0.994 273 T CB 0.892 69.713 68.868 -0.078 0.000 1.025 273 T HN 0.578 nan 8.240 nan 0.000 0.529 274 Q N -0.256 119.446 119.800 -0.164 0.000 2.124 274 Q HA -0.192 4.148 4.340 -0.000 0.000 0.202 274 Q C 2.349 178.236 176.000 -0.189 0.000 0.977 274 Q CA 1.614 57.249 55.803 -0.279 0.000 0.850 274 Q CB -0.219 28.420 28.738 -0.166 0.000 0.901 274 Q HN 0.791 nan 8.270 nan 0.000 0.429 275 Q N 1.248 120.976 119.800 -0.120 0.000 2.084 275 Q HA -0.194 4.146 4.340 -0.000 0.000 0.202 275 Q C 1.431 177.356 176.000 -0.125 0.000 0.978 275 Q CA 1.711 57.451 55.803 -0.105 0.000 0.844 275 Q CB 0.064 28.757 28.738 -0.073 0.000 0.898 275 Q HN 0.377 nan 8.270 nan 0.000 0.426 276 E N -0.824 119.309 120.200 -0.111 0.000 2.072 276 E HA -0.185 4.165 4.350 -0.000 0.000 0.191 276 E C 1.825 178.356 176.600 -0.114 0.000 0.985 276 E CA 1.290 57.630 56.400 -0.099 0.000 0.801 276 E CB -0.125 29.531 29.700 -0.072 0.000 0.750 276 E HN 0.332 nan 8.360 nan 0.000 0.452 277 M N 1.213 120.742 119.600 -0.119 0.000 2.099 277 M HA -0.112 4.368 4.480 -0.000 0.000 0.262 277 M C 1.692 177.888 176.300 -0.174 0.000 1.067 277 M CA 1.713 56.955 55.300 -0.097 0.000 1.124 277 M CB 0.111 32.616 32.600 -0.159 0.000 1.353 277 M HN -0.188 nan 8.290 nan 0.000 0.410 278 K N -0.013 120.265 120.400 -0.202 0.000 2.209 278 K HA -0.169 4.151 4.320 -0.000 0.000 0.204 278 K C 1.425 177.699 176.600 -0.542 0.000 1.048 278 K CA 1.597 57.716 56.287 -0.281 0.000 0.940 278 K CB -0.252 32.135 32.500 -0.188 0.000 0.729 278 K HN 0.635 nan 8.250 nan 0.000 0.451 279 E N 0.075 120.036 120.200 -0.399 0.000 2.463 279 E HA 0.129 4.479 4.350 -0.000 0.000 0.193 279 E C 1.426 177.814 176.600 -0.352 0.000 1.041 279 E CA 0.208 56.379 56.400 -0.381 0.000 0.879 279 E CB 0.357 29.937 29.700 -0.199 0.000 0.997 279 E HN 0.151 nan 8.360 nan 0.000 0.478 280 A N 2.584 125.130 122.820 -0.456 0.000 1.940 280 A HA -0.072 4.248 4.320 -0.000 0.000 0.219 280 A C -0.220 176.907 177.584 -0.762 0.000 1.176 280 A CA 0.934 52.631 52.037 -0.567 0.000 0.631 280 A CB -1.186 17.422 19.000 -0.655 0.000 0.814 280 A HN 0.292 nan 8.150 nan 0.000 0.446 281 P HA -0.049 nan 4.420 nan 0.000 0.230 281 P C 0.187 177.398 177.300 -0.148 0.000 1.158 281 P CA 1.041 63.764 63.100 -0.627 0.000 0.769 281 P CB 0.019 31.486 31.700 -0.388 0.000 0.807 282 D N -1.158 119.182 120.400 -0.101 0.000 2.350 282 D HA 0.123 4.763 4.640 -0.000 0.000 0.213 282 D C 1.053 177.344 176.300 -0.015 0.000 1.031 282 D CA 0.143 54.144 54.000 0.002 0.000 0.861 282 D CB -0.204 40.622 40.800 0.044 0.000 0.926 282 D HN 0.063 nan 8.370 nan 0.000 0.520 283 A N 0.384 123.175 122.820 -0.047 0.000 2.366 283 A HA 0.143 4.463 4.320 -0.000 0.000 0.250 283 A C 1.657 179.259 177.584 0.029 0.000 1.099 283 A CA -0.285 51.748 52.037 -0.006 0.000 0.794 283 A CB 0.237 19.236 19.000 -0.001 0.000 1.056 283 A HN 0.035 nan 8.150 nan 0.000 0.499 284 I N -0.739 119.851 120.570 0.033 0.000 2.163 284 I HA -0.122 4.048 4.170 -0.000 0.000 0.243 284 I C 0.732 176.888 176.117 0.064 0.000 1.085 284 I CA 1.814 63.139 61.300 0.042 0.000 1.347 284 I CB -0.111 37.907 38.000 0.031 0.000 1.044 284 I HN 0.711 nan 8.210 nan 0.000 0.408 285 D N -1.854 118.592 120.400 0.077 0.000 2.692 285 D HA 0.268 4.908 4.640 -0.000 0.000 0.290 285 D C -1.308 175.072 176.300 0.133 0.000 1.281 285 D CA -0.339 53.725 54.000 0.107 0.000 0.804 285 D CB 1.716 42.559 40.800 0.072 0.000 1.331 285 D HN -0.272 nan 8.370 nan 0.000 0.432 286 T N 1.308 115.963 114.554 0.168 0.000 2.809 286 T HA 0.529 4.879 4.350 -0.000 0.000 0.284 286 T C -0.448 174.310 174.700 0.096 0.000 0.992 286 T CA -0.510 61.702 62.100 0.187 0.000 0.957 286 T CB 0.519 69.594 68.868 0.344 0.000 0.942 286 T HN 0.148 nan 8.240 nan 0.000 0.439 287 L N 4.327 125.585 121.223 0.058 0.000 2.264 287 L HA 0.485 4.825 4.340 -0.000 0.000 0.289 287 L C -0.260 176.594 176.870 -0.027 0.000 1.044 287 L CA -0.822 54.019 54.840 0.001 0.000 0.807 287 L CB 0.858 42.907 42.059 -0.017 0.000 1.192 287 L HN 0.436 nan 8.230 nan 0.000 0.425 288 L N 5.328 126.516 121.223 -0.060 0.000 2.282 288 L HA 0.226 4.566 4.340 -0.000 0.000 0.287 288 L C 1.042 177.837 176.870 -0.126 0.000 1.075 288 L CA -0.200 54.583 54.840 -0.095 0.000 0.839 288 L CB 0.775 42.772 42.059 -0.104 0.000 1.219 288 L HN 0.684 nan 8.230 nan 0.000 0.434 289 L N 2.217 123.355 121.223 -0.141 0.000 2.418 289 L HA 0.038 4.378 4.340 -0.000 0.000 0.218 289 L C 0.747 177.467 176.870 -0.250 0.000 1.125 289 L CA 0.690 55.388 54.840 -0.237 0.000 0.835 289 L CB -0.161 41.724 42.059 -0.291 0.000 0.953 289 L HN 0.669 nan 8.230 nan 0.000 0.454 290 Q N 0.750 120.469 119.800 -0.136 0.000 2.607 290 Q HA 0.193 4.533 4.340 -0.000 0.000 0.247 290 Q C -1.703 174.282 176.000 -0.025 0.000 1.033 290 Q CA -1.628 54.149 55.803 -0.043 0.000 0.769 290 Q CB 1.634 30.383 28.738 0.019 0.000 1.169 290 Q HN 0.012 nan 8.270 nan 0.000 0.508 291 P HA -0.158 nan 4.420 nan 0.000 0.219 291 P C 0.494 177.689 177.300 -0.175 0.000 1.150 291 P CA 1.041 64.045 63.100 -0.159 0.000 0.814 291 P CB 0.181 31.716 31.700 -0.276 0.000 0.787 292 W N 1.478 122.804 121.300 0.043 0.000 2.402 292 W HA -0.068 4.592 4.660 -0.000 0.000 0.286 292 W C 2.646 179.178 176.519 0.023 0.000 1.221 292 W CA 1.162 58.550 57.345 0.072 0.000 1.257 292 W CB -0.736 28.823 29.460 0.165 0.000 1.120 292 W HN 0.156 nan 8.180 nan 0.000 0.551 293 Q N -0.226 119.679 119.800 0.175 0.000 2.396 293 Q HA 0.101 4.441 4.340 -0.000 0.000 0.209 293 Q C 0.875 176.910 176.000 0.059 0.000 0.906 293 Q CA 0.483 56.341 55.803 0.091 0.000 0.927 293 Q CB -0.418 28.344 28.738 0.039 0.000 1.069 293 Q HN 0.249 nan 8.270 nan 0.000 0.523 294 L N 2.244 123.476 121.223 0.014 0.000 2.648 294 L HA 0.222 4.562 4.340 -0.000 0.000 0.238 294 L C 0.790 177.653 176.870 -0.011 0.000 1.316 294 L CA -0.229 54.609 54.840 -0.003 0.000 1.241 294 L CB 0.086 42.099 42.059 -0.077 0.000 1.499 294 L HN 0.277 nan 8.230 nan 0.000 0.411 295 L N -0.263 120.974 121.223 0.024 0.000 2.102 295 L HA -0.036 4.304 4.340 -0.000 0.000 0.202 295 L C 2.262 179.140 176.870 0.014 0.000 1.076 295 L CA 0.984 55.828 54.840 0.006 0.000 0.761 295 L CB -0.199 41.879 42.059 0.032 0.000 0.921 295 L HN 0.395 nan 8.230 nan 0.000 0.444 296 K N -0.211 120.219 120.400 0.049 0.000 2.217 296 K HA -0.039 4.281 4.320 -0.000 0.000 0.202 296 K C 2.224 178.856 176.600 0.053 0.000 1.051 296 K CA 1.104 57.422 56.287 0.052 0.000 0.952 296 K CB -0.036 32.512 32.500 0.079 0.000 0.736 296 K HN 0.116 nan 8.250 nan 0.000 0.453 297 S N 1.370 117.114 115.700 0.074 0.000 2.402 297 S HA -0.132 4.338 4.470 -0.000 0.000 0.229 297 S C 1.837 176.404 174.600 -0.055 0.000 1.021 297 S CA 1.121 59.349 58.200 0.046 0.000 0.974 297 S CB -0.026 63.109 63.200 -0.109 0.000 0.800 297 S HN 0.293 nan 8.310 nan 0.000 0.484 298 K N 1.384 121.749 120.400 -0.059 0.000 2.097 298 K HA -0.037 4.283 4.320 -0.000 0.000 0.205 298 K C 1.849 178.404 176.600 -0.074 0.000 1.050 298 K CA 1.053 57.297 56.287 -0.072 0.000 0.938 298 K CB -0.003 32.453 32.500 -0.072 0.000 0.718 298 K HN 0.195 nan 8.250 nan 0.000 0.442 299 K N 0.159 120.522 120.400 -0.061 0.000 2.148 299 K HA -0.069 4.251 4.320 -0.000 0.000 0.204 299 K C 1.969 178.500 176.600 -0.116 0.000 1.050 299 K CA 1.035 57.284 56.287 -0.063 0.000 0.942 299 K CB 0.034 32.513 32.500 -0.036 0.000 0.724 299 K HN -0.038 nan 8.250 nan 0.000 0.446 300 V N 1.197 121.009 119.914 -0.171 0.000 2.233 300 V HA -0.271 3.849 4.120 -0.000 0.000 0.247 300 V C 2.288 178.047 176.094 -0.559 0.000 1.050 300 V CA 1.736 63.807 62.300 -0.381 0.000 1.010 300 V CB -0.413 31.145 31.823 -0.441 0.000 0.637 300 V HN 0.082 nan 8.190 nan 0.000 0.444 301 V N -0.529 119.130 119.914 -0.425 0.000 2.332 301 V HA -0.318 3.802 4.120 -0.000 0.000 0.248 301 V C 2.391 178.472 176.094 -0.022 0.000 1.055 301 V CA 2.251 64.424 62.300 -0.211 0.000 1.038 301 V CB -0.682 31.120 31.823 -0.035 0.000 0.651 301 V HN 0.611 nan 8.190 nan 0.000 0.450 302 Q N -0.731 119.043 119.800 -0.043 0.000 2.089 302 Q HA -0.101 4.239 4.340 -0.000 0.000 0.195 302 Q C 2.214 178.223 176.000 0.016 0.000 0.963 302 Q CA 1.269 57.078 55.803 0.009 0.000 0.834 302 Q CB -0.003 28.731 28.738 -0.006 0.000 0.906 302 Q HN 0.694 nan 8.270 nan 0.000 0.452 303 E N -0.026 120.163 120.200 -0.019 0.000 2.190 303 E HA 0.017 4.367 4.350 -0.000 0.000 0.191 303 E C 1.826 178.439 176.600 0.023 0.000 0.978 303 E CA 0.537 56.938 56.400 0.002 0.000 0.839 303 E CB 0.238 29.930 29.700 -0.013 0.000 0.787 303 E HN 0.274 nan 8.360 nan 0.000 0.473 304 M N -0.784 118.806 119.600 -0.016 0.000 2.429 304 M HA 0.010 4.490 4.480 -0.000 0.000 0.265 304 M C 1.048 177.531 176.300 0.306 0.000 1.120 304 M CA 0.843 56.189 55.300 0.077 0.000 1.173 304 M CB 0.290 32.870 32.600 -0.033 0.000 1.343 304 M HN 0.151 nan 8.290 nan 0.000 0.464 305 W N 0.558 121.910 121.300 0.086 0.000 3.177 305 W HA 0.289 4.949 4.660 -0.000 0.000 0.309 305 W C 0.050 176.613 176.519 0.073 0.000 1.224 305 W CA -0.429 56.973 57.345 0.094 0.000 1.718 305 W CB -1.358 28.169 29.460 0.110 0.000 1.078 305 W HN 0.379 nan 8.180 nan 0.000 0.618 306 N N 0.519 119.364 118.700 0.241 0.000 2.735 306 N HA -0.237 4.503 4.740 -0.000 0.000 0.248 306 N C -0.006 175.592 175.510 0.146 0.000 1.083 306 N CA 0.576 53.716 53.050 0.150 0.000 0.703 306 N CB -1.232 37.329 38.487 0.123 0.000 1.005 306 N HN 0.282 nan 8.380 nan 0.000 0.550 307 Q N -0.781 119.126 119.800 0.179 0.000 2.204 307 Q HA 0.305 4.645 4.340 -0.000 0.000 0.254 307 Q C -1.622 174.438 176.000 0.099 0.000 0.981 307 Q CA -2.056 53.840 55.803 0.155 0.000 0.897 307 Q CB 1.101 29.979 28.738 0.234 0.000 1.273 307 Q HN -0.048 nan 8.270 nan 0.000 0.464 308 P HA -0.121 nan 4.420 nan 0.000 0.218 308 P C -0.428 176.890 177.300 0.030 0.000 1.149 308 P CA 1.349 64.475 63.100 0.044 0.000 0.817 308 P CB 0.131 31.852 31.700 0.035 0.000 0.785 309 A N -1.217 121.628 122.820 0.042 0.000 2.519 309 A HA -0.171 4.149 4.320 -0.000 0.000 0.297 309 A C 0.398 177.975 177.584 -0.010 0.000 1.472 309 A CA 0.686 52.733 52.037 0.016 0.000 0.739 309 A CB -2.749 16.247 19.000 -0.007 0.000 1.096 309 A HN 0.226 nan 8.150 nan 0.000 0.414 310 T N 1.888 116.441 114.554 -0.003 0.000 2.831 310 T HA 0.186 4.536 4.350 -0.000 0.000 0.291 310 T C 0.477 175.152 174.700 -0.042 0.000 0.981 310 T CA 0.446 62.535 62.100 -0.018 0.000 1.174 310 T CB 0.258 69.118 68.868 -0.012 0.000 0.929 310 T HN 0.570 nan 8.240 nan 0.000 0.532 311 E N 2.044 122.212 120.200 -0.053 0.000 2.376 311 E HA 0.300 4.650 4.350 -0.000 0.000 0.266 311 E C 0.113 176.666 176.600 -0.079 0.000 1.009 311 E CA -0.257 56.097 56.400 -0.078 0.000 0.902 311 E CB 0.681 30.331 29.700 -0.084 0.000 0.972 311 E HN 0.507 nan 8.360 nan 0.000 0.439 312 V N -0.654 119.200 119.914 -0.099 0.000 2.876 312 V HA 0.800 4.920 4.120 -0.000 0.000 0.312 312 V C -0.258 175.761 176.094 -0.125 0.000 1.085 312 V CA -1.127 61.108 62.300 -0.108 0.000 0.945 312 V CB 1.688 33.440 31.823 -0.119 0.000 1.017 312 V HN 0.684 nan 8.190 nan 0.000 0.428 313 A N 3.535 126.281 122.820 -0.123 0.000 2.286 313 A HA 0.730 5.050 4.320 -0.000 0.000 0.286 313 A C 0.133 177.594 177.584 -0.206 0.000 1.097 313 A CA -0.679 51.288 52.037 -0.118 0.000 0.821 313 A CB 0.555 19.502 19.000 -0.089 0.000 1.076 313 A HN 1.352 nan 8.150 nan 0.000 0.490 314 I N 2.042 122.489 120.570 -0.206 0.000 2.845 314 I HA 0.089 4.259 4.170 -0.000 0.000 0.296 314 I C -1.623 174.191 176.117 -0.505 0.000 1.216 314 I CA -1.383 59.666 61.300 -0.418 0.000 1.438 314 I CB 1.183 39.009 38.000 -0.290 0.000 1.342 314 I HN 0.366 nan 8.210 nan 0.000 0.577 315 P HA 0.174 nan 4.420 nan 0.000 0.219 315 P C -0.849 176.141 177.300 -0.518 0.000 1.832 315 P CA 0.068 62.834 63.100 -0.556 0.000 1.014 315 P CB -0.050 31.350 31.700 -0.501 0.000 1.939 316 L N 1.514 122.497 121.223 -0.401 0.000 2.319 316 L HA 0.716 5.056 4.340 -0.000 0.000 0.281 316 L C 0.267 176.901 176.870 -0.392 0.000 1.005 316 L CA 0.348 55.028 54.840 -0.266 0.000 0.828 316 L CB 1.060 43.053 42.059 -0.109 0.000 1.227 316 L HN 0.506 nan 8.230 nan 0.000 0.415 317 G N 2.810 111.212 108.800 -0.664 0.000 2.566 317 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.599 317 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.599 317 G C -0.319 174.222 174.900 -0.598 0.000 1.292 317 G CA -0.129 44.192 45.100 -1.299 0.000 0.922 317 G HN 0.756 nan 8.290 nan 0.000 0.514 318 L N 0.294 121.289 121.223 -0.380 0.000 2.049 318 L HA 0.468 4.808 4.340 -0.000 0.000 0.203 318 L C 3.139 180.037 176.870 0.046 0.000 1.074 318 L CA 3.193 58.044 54.840 0.018 0.000 0.749 318 L CB -1.005 41.138 42.059 0.140 0.000 0.907 318 L HN 1.634 nan 8.230 nan 0.000 0.439 319 A N -0.358 122.478 122.820 0.028 0.000 1.933 319 A HA -0.045 4.275 4.320 -0.000 0.000 0.218 319 A C 2.368 179.931 177.584 -0.035 0.000 1.175 319 A CA 1.665 53.713 52.037 0.019 0.000 0.628 319 A CB -1.121 17.898 19.000 0.032 0.000 0.814 319 A HN 0.595 nan 8.150 nan 0.000 0.444 320 A N -1.342 121.422 122.820 -0.093 0.000 2.016 320 A HA 0.045 4.365 4.320 -0.000 0.000 0.217 320 A C 2.204 179.676 177.584 -0.187 0.000 1.162 320 A CA 1.913 53.866 52.037 -0.140 0.000 0.662 320 A CB -0.803 18.091 19.000 -0.177 0.000 0.812 320 A HN 0.407 nan 8.150 nan 0.000 0.450 321 T N 0.218 114.640 114.554 -0.221 0.000 2.851 321 T HA -0.087 4.263 4.350 -0.000 0.000 0.262 321 T C 1.447 176.017 174.700 -0.217 0.000 1.043 321 T CA 1.320 63.217 62.100 -0.339 0.000 1.140 321 T CB -0.347 68.123 68.868 -0.664 0.000 0.872 321 T HN 0.416 nan 8.240 nan 0.000 0.446 322 D N 1.399 121.782 120.400 -0.028 0.000 2.133 322 D HA -0.101 4.539 4.640 -0.000 0.000 0.195 322 D C 2.155 178.448 176.300 -0.011 0.000 0.997 322 D CA 1.142 55.176 54.000 0.057 0.000 0.840 322 D CB -0.204 40.647 40.800 0.086 0.000 0.947 322 D HN 0.522 nan 8.370 nan 0.000 0.452 323 E N -0.240 119.934 120.200 -0.044 0.000 2.106 323 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 323 E C 2.061 178.618 176.600 -0.071 0.000 0.984 323 E CA 0.151 56.521 56.400 -0.051 0.000 0.806 323 E CB -0.041 29.623 29.700 -0.059 0.000 0.750 323 E HN 0.112 nan 8.360 nan 0.000 0.458 324 L N 0.924 122.081 121.223 -0.110 0.000 2.046 324 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 324 L C 1.959 178.779 176.870 -0.083 0.000 1.077 324 L CA 1.591 56.361 54.840 -0.116 0.000 0.747 324 L CB -0.229 41.728 42.059 -0.169 0.000 0.896 324 L HN 0.115 nan 8.230 nan 0.000 0.432 325 L N -1.477 119.699 121.223 -0.078 0.000 2.141 325 L HA -0.193 4.147 4.340 -0.000 0.000 0.209 325 L C 2.543 179.403 176.870 -0.016 0.000 1.094 325 L CA 1.358 56.174 54.840 -0.039 0.000 0.763 325 L CB -0.471 41.579 42.059 -0.015 0.000 0.908 325 L HN 0.348 nan 8.230 nan 0.000 0.437 326 M N -1.002 118.589 119.600 -0.014 0.000 2.175 326 M HA -0.153 4.327 4.480 -0.000 0.000 0.264 326 M C 2.271 178.563 176.300 -0.013 0.000 1.063 326 M CA 1.681 56.976 55.300 -0.007 0.000 1.119 326 M CB -0.526 32.071 32.600 -0.004 0.000 1.377 326 M HN 0.182 nan 8.290 nan 0.000 0.415 327 T N 0.500 115.040 114.554 -0.025 0.000 2.746 327 T HA -0.099 4.251 4.350 -0.000 0.000 0.267 327 T C 1.871 176.561 174.700 -0.017 0.000 1.039 327 T CA 1.248 63.334 62.100 -0.024 0.000 1.142 327 T CB -0.236 68.610 68.868 -0.037 0.000 0.866 327 T HN 0.126 nan 8.240 nan 0.000 0.444 328 V N 1.229 121.131 119.914 -0.020 0.000 2.343 328 V HA -0.163 3.957 4.120 -0.000 0.000 0.247 328 V C 2.702 178.794 176.094 -0.004 0.000 1.051 328 V CA 1.991 64.284 62.300 -0.012 0.000 1.036 328 V CB -0.784 31.030 31.823 -0.015 0.000 0.654 328 V HN 0.503 nan 8.190 nan 0.000 0.451 329 S N -0.468 115.230 115.700 -0.003 0.000 2.368 329 S HA -0.264 4.206 4.470 -0.000 0.000 0.225 329 S C 2.236 176.837 174.600 0.002 0.000 1.030 329 S CA 2.308 60.509 58.200 0.002 0.000 0.999 329 S CB -0.219 62.983 63.200 0.004 0.000 0.844 329 S HN 0.711 nan 8.310 nan 0.000 0.459 330 Q N 0.770 120.569 119.800 -0.000 0.000 2.079 330 Q HA 0.166 4.506 4.340 -0.000 0.000 0.200 330 Q C 2.285 178.287 176.000 0.003 0.000 0.974 330 Q CA 1.583 57.387 55.803 0.001 0.000 0.840 330 Q CB -1.029 27.708 28.738 -0.002 0.000 0.898 330 Q HN 0.750 nan 8.270 nan 0.000 0.430 331 L N 1.075 122.300 121.223 0.003 0.000 2.109 331 L HA -0.101 4.239 4.340 -0.000 0.000 0.207 331 L C 2.832 179.707 176.870 0.009 0.000 1.086 331 L CA 1.669 56.513 54.840 0.008 0.000 0.760 331 L CB -0.122 41.942 42.059 0.009 0.000 0.910 331 L HN 0.623 nan 8.230 nan 0.000 0.437 332 S N -1.145 114.560 115.700 0.007 0.000 2.486 332 S HA 0.112 4.582 4.470 -0.000 0.000 0.220 332 S C 1.624 176.228 174.600 0.007 0.000 1.011 332 S CA 0.427 58.632 58.200 0.008 0.000 0.921 332 S CB 0.446 63.650 63.200 0.007 0.000 0.785 332 S HN 0.480 nan 8.310 nan 0.000 0.517 333 G N 1.320 110.123 108.800 0.006 0.000 2.153 333 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.252 333 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.252 333 G C -0.127 174.777 174.900 0.005 0.000 0.994 333 G CA 0.440 45.544 45.100 0.005 0.000 0.698 333 G HN 0.589 nan 8.290 nan 0.000 0.521 334 K N 0.972 121.376 120.400 0.006 0.000 2.164 334 K HA 0.488 4.808 4.320 -0.000 0.000 0.258 334 K C -2.390 174.214 176.600 0.007 0.000 0.951 334 K CA -1.892 54.398 56.287 0.006 0.000 0.844 334 K CB 2.498 35.002 32.500 0.007 0.000 1.099 334 K HN 0.058 nan 8.250 nan 0.000 0.435 335 P HA 0.162 nan 4.420 nan 0.000 0.274 335 P C -0.179 177.129 177.300 0.013 0.000 1.231 335 P CA -0.251 62.855 63.100 0.010 0.000 0.790 335 P CB 0.605 32.310 31.700 0.009 0.000 0.951 336 I N 1.134 121.714 120.570 0.017 0.000 2.598 336 I HA 0.059 4.229 4.170 -0.000 0.000 0.284 336 I C 1.231 177.364 176.117 0.026 0.000 1.140 336 I CA -0.258 61.057 61.300 0.026 0.000 1.420 336 I CB 0.309 38.331 38.000 0.036 0.000 1.387 336 I HN 0.386 nan 8.210 nan 0.000 0.553 337 A N 5.306 128.144 122.820 0.030 0.000 2.540 337 A HA -0.003 4.317 4.320 -0.000 0.000 0.239 337 A C 1.034 178.633 177.584 0.026 0.000 1.061 337 A CA -0.291 51.761 52.037 0.026 0.000 0.758 337 A CB 0.076 19.093 19.000 0.028 0.000 0.991 337 A HN 0.790 nan 8.150 nan 0.000 0.502 338 D N 2.136 122.545 120.400 0.016 0.000 2.182 338 D HA -0.131 4.509 4.640 -0.000 0.000 0.201 338 D C 2.097 178.402 176.300 0.010 0.000 0.986 338 D CA 1.858 55.864 54.000 0.009 0.000 0.847 338 D CB -0.173 40.630 40.800 0.005 0.000 0.942 338 D HN 0.673 nan 8.370 nan 0.000 0.467 339 A N 0.142 122.972 122.820 0.017 0.000 1.969 339 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 339 A C 2.308 179.913 177.584 0.034 0.000 1.169 339 A CA 0.661 52.710 52.037 0.020 0.000 0.635 339 A CB -0.531 18.483 19.000 0.023 0.000 0.810 339 A HN 0.212 nan 8.150 nan 0.000 0.445 340 L N -0.865 120.392 121.223 0.058 0.000 2.109 340 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 340 L C 2.690 179.593 176.870 0.055 0.000 1.086 340 L CA 1.568 56.479 54.840 0.119 0.000 0.760 340 L CB -0.692 41.466 42.059 0.165 0.000 0.910 340 L HN 0.305 nan 8.230 nan 0.000 0.437 341 T N 0.260 114.822 114.554 0.013 0.000 2.788 341 T HA -0.184 4.166 4.350 -0.000 0.000 0.268 341 T C 1.818 176.463 174.700 -0.093 0.000 1.044 341 T CA 1.244 63.314 62.100 -0.049 0.000 1.139 341 T CB -0.216 68.639 68.868 -0.021 0.000 0.867 341 T HN 0.122 nan 8.240 nan 0.000 0.454 342 L N 1.431 122.621 121.223 -0.056 0.000 2.046 342 L HA -0.002 4.338 4.340 -0.000 0.000 0.208 342 L C 2.406 179.223 176.870 -0.089 0.000 1.077 342 L CA 1.889 56.694 54.840 -0.059 0.000 0.747 342 L CB -0.665 41.377 42.059 -0.027 0.000 0.896 342 L HN 0.252 nan 8.230 nan 0.000 0.432 343 E N -0.569 119.582 120.200 -0.081 0.000 2.077 343 E HA -0.292 4.058 4.350 -0.000 0.000 0.193 343 E C 2.430 178.854 176.600 -0.294 0.000 0.989 343 E CA 1.095 57.441 56.400 -0.090 0.000 0.800 343 E CB -0.197 29.530 29.700 0.046 0.000 0.746 343 E HN 0.472 nan 8.360 nan 0.000 0.452 344 R N -0.163 119.964 120.500 -0.621 0.000 2.083 344 R HA -0.141 4.199 4.340 -0.000 0.000 0.237 344 R C 2.335 178.390 176.300 -0.407 0.000 1.137 344 R CA 1.765 57.283 56.100 -0.970 0.000 0.951 344 R CB -0.619 29.130 30.300 -0.919 0.000 0.851 344 R HN 0.263 nan 8.270 nan 0.000 0.434 345 G N 0.217 108.870 108.800 -0.246 0.000 2.422 345 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.218 345 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.218 345 G C 1.434 176.277 174.900 -0.094 0.000 1.140 345 G CA 0.376 45.395 45.100 -0.135 0.000 0.775 345 G HN 0.331 nan 8.290 nan 0.000 0.545 346 R N -0.708 119.736 120.500 -0.093 0.000 2.092 346 R HA 0.041 4.381 4.340 -0.000 0.000 0.231 346 R C 2.415 178.694 176.300 -0.034 0.000 1.119 346 R CA 0.968 57.039 56.100 -0.049 0.000 0.970 346 R CB -0.438 29.839 30.300 -0.037 0.000 0.864 346 R HN 0.373 nan 8.270 nan 0.000 0.440 347 L N 0.693 121.882 121.223 -0.058 0.000 2.046 347 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 347 L C 1.965 178.842 176.870 0.012 0.000 1.077 347 L CA 1.616 56.453 54.840 -0.004 0.000 0.747 347 L CB -0.317 41.741 42.059 -0.001 0.000 0.896 347 L HN -0.098 nan 8.230 nan 0.000 0.432 348 V N -0.049 119.848 119.914 -0.030 0.000 2.407 348 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 348 V C 2.315 178.413 176.094 0.005 0.000 1.055 348 V CA 1.920 64.216 62.300 -0.006 0.000 1.049 348 V CB -0.788 31.014 31.823 -0.035 0.000 0.662 348 V HN 0.581 nan 8.190 nan 0.000 0.455 349 D N -0.369 120.029 120.400 -0.003 0.000 2.123 349 D HA -0.217 4.423 4.640 -0.000 0.000 0.196 349 D C 2.177 178.496 176.300 0.032 0.000 0.992 349 D CA 1.614 55.620 54.000 0.010 0.000 0.833 349 D CB -0.109 40.691 40.800 0.001 0.000 0.954 349 D HN 0.373 nan 8.370 nan 0.000 0.455 350 M N -0.750 118.871 119.600 0.036 0.000 2.159 350 M HA -0.124 4.356 4.480 -0.000 0.000 0.263 350 M C 2.250 178.593 176.300 0.071 0.000 1.063 350 M CA 1.198 56.529 55.300 0.052 0.000 1.110 350 M CB -0.178 32.454 32.600 0.053 0.000 1.374 350 M HN 0.147 nan 8.290 nan 0.000 0.411 351 M N -0.058 119.586 119.600 0.073 0.000 2.117 351 M HA -0.185 4.295 4.480 -0.000 0.000 0.262 351 M C 2.049 178.411 176.300 0.104 0.000 1.065 351 M CA 1.582 56.929 55.300 0.078 0.000 1.114 351 M CB -0.438 32.204 32.600 0.069 0.000 1.361 351 M HN 0.257 nan 8.290 nan 0.000 0.408 352 L N -0.395 120.878 121.223 0.083 0.000 2.093 352 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 352 L C 1.819 178.821 176.870 0.219 0.000 1.085 352 L CA 0.817 55.732 54.840 0.124 0.000 0.755 352 L CB -0.828 41.257 42.059 0.042 0.000 0.904 352 L HN 0.258 nan 8.230 nan 0.000 0.435 353 D N -0.467 120.008 120.400 0.124 0.000 2.178 353 D HA -0.105 4.535 4.640 -0.000 0.000 0.202 353 D C 2.023 178.383 176.300 0.100 0.000 0.974 353 D CA 1.104 55.164 54.000 0.100 0.000 0.841 353 D CB 0.113 40.955 40.800 0.071 0.000 0.953 353 D HN 0.140 nan 8.370 nan 0.000 0.478 354 S N -0.444 115.330 115.700 0.123 0.000 2.539 354 S HA -0.031 4.439 4.470 -0.000 0.000 0.221 354 S C 1.547 176.214 174.600 0.111 0.000 0.987 354 S CA -0.457 57.828 58.200 0.141 0.000 0.929 354 S CB 0.012 63.291 63.200 0.132 0.000 0.832 354 S HN 0.473 nan 8.310 nan 0.000 0.492 355 H N 1.677 120.771 119.070 0.040 0.000 2.421 355 H HA -0.072 4.484 4.556 -0.000 0.000 0.298 355 H C 1.964 177.295 175.328 0.005 0.000 1.087 355 H CA 1.815 57.878 56.048 0.025 0.000 1.330 355 H CB -1.010 28.752 29.762 0.000 0.000 1.388 355 H HN 0.458 nan 8.280 nan 0.000 0.526 356 T N -2.487 111.626 114.554 -0.736 0.000 2.962 356 T HA -0.150 4.200 4.350 -0.000 0.000 0.270 356 T C 1.676 176.130 174.700 -0.409 0.000 1.088 356 T CA 0.897 62.617 62.100 -0.633 0.000 1.127 356 T CB -0.800 67.597 68.868 -0.786 0.000 0.883 356 T HN 0.546 nan 8.240 nan 0.000 0.493 357 W N 0.440 121.700 121.300 -0.067 0.000 2.770 357 W HA 0.463 5.123 4.660 -0.000 0.000 0.256 357 W C 1.913 178.455 176.519 0.038 0.000 1.291 357 W CA -0.559 56.782 57.345 -0.007 0.000 1.396 357 W CB 0.073 29.522 29.460 -0.017 0.000 1.114 357 W HN 0.210 nan 8.180 nan 0.000 0.637 358 L N -1.595 119.769 121.223 0.236 0.000 2.425 358 L HA 0.148 4.488 4.340 -0.000 0.000 0.215 358 L C 0.724 177.697 176.870 0.171 0.000 1.065 358 L CA -0.106 54.854 54.840 0.199 0.000 0.842 358 L CB -0.635 41.496 42.059 0.120 0.000 1.033 358 L HN -0.151 nan 8.230 nan 0.000 0.474 359 H N 0.289 119.406 119.070 0.078 0.000 2.964 359 H HA 0.220 4.776 4.556 0.000 0.000 0.328 359 H C 1.196 176.584 175.328 0.099 0.000 1.030 359 H CA 1.043 57.133 56.048 0.071 0.000 1.445 359 H CB 0.673 30.495 29.762 0.101 0.000 1.449 359 H HN 0.294 nan 8.280 nan 0.000 0.581 360 G N 3.824 112.487 108.800 -0.228 0.000 2.205 360 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.261 360 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.261 360 G C 0.221 175.138 174.900 0.029 0.000 0.980 360 G CA 0.230 45.307 45.100 -0.039 0.000 0.632 360 G HN 0.606 nan 8.290 nan 0.000 0.533 361 K N 0.979 121.413 120.400 0.056 0.000 2.436 361 K HA 0.275 4.595 4.320 -0.000 0.000 0.275 361 K C 0.514 177.059 176.600 -0.092 0.000 0.999 361 K CA 0.358 56.636 56.287 -0.015 0.000 0.980 361 K CB 0.616 33.122 32.500 0.011 0.000 0.919 361 K HN 0.400 nan 8.250 nan 0.000 0.484 362 K N 2.557 122.815 120.400 -0.237 0.000 2.213 362 K HA 0.357 4.677 4.320 -0.000 0.000 0.270 362 K C -0.684 175.702 176.600 -0.356 0.000 1.002 362 K CA -0.400 55.792 56.287 -0.158 0.000 0.868 362 K CB 0.723 33.171 32.500 -0.087 0.000 1.093 362 K HN 0.256 nan 8.250 nan 0.000 0.454 363 F N 0.189 120.207 119.950 0.113 0.000 2.546 363 F HA 0.448 4.975 4.527 -0.000 0.000 0.320 363 F C 0.884 176.775 175.800 0.152 0.000 1.076 363 F CA -0.745 57.345 58.000 0.150 0.000 0.928 363 F CB 2.031 41.109 39.000 0.130 0.000 1.189 363 F HN 0.514 nan 8.300 nan 0.000 0.465 364 G N 2.014 111.037 108.800 0.372 0.000 2.389 364 G HA2 0.712 4.672 3.960 -0.000 0.000 0.328 364 G HA3 0.712 4.672 3.960 -0.000 0.000 0.328 364 G C -1.532 173.717 174.900 0.581 0.000 1.133 364 G CA -0.717 44.635 45.100 0.421 0.000 0.891 364 G HN 0.793 nan 8.290 nan 0.000 0.485 365 L N -0.165 121.422 121.223 0.606 0.000 2.518 365 L HA 0.881 5.221 4.340 -0.000 0.000 0.257 365 L C -1.355 175.716 176.870 0.335 0.000 0.980 365 L CA -1.461 53.594 54.840 0.359 0.000 0.837 365 L CB 2.084 44.255 42.059 0.187 0.000 1.410 365 L HN 0.732 nan 8.230 nan 0.000 0.410 366 Y N -0.000 120.345 120.300 0.075 0.000 2.625 366 Y HA 1.046 5.596 4.550 0.000 0.000 0.338 366 Y C -0.101 175.917 175.900 0.198 0.000 1.123 366 Y CA -0.320 57.801 58.100 0.036 0.000 1.046 366 Y CB 1.547 39.827 38.460 -0.300 0.000 1.299 366 Y HN 1.137 nan 8.280 nan 0.000 0.464 367 G N 0.406 109.472 108.800 0.443 0.000 2.351 367 G HA2 0.212 4.172 3.960 -0.000 0.000 0.279 367 G HA3 0.212 4.172 3.960 -0.000 0.000 0.279 367 G C -1.974 173.114 174.900 0.313 0.000 1.297 367 G CA -0.898 44.453 45.100 0.419 0.000 0.886 367 G HN 0.650 nan 8.290 nan 0.000 0.493 368 D N 0.786 121.368 120.400 0.304 0.000 2.357 368 D HA 0.383 5.023 4.640 -0.000 0.000 0.242 368 D C -1.184 175.170 176.300 0.090 0.000 1.153 368 D CA -1.226 52.864 54.000 0.151 0.000 0.918 368 D CB 1.404 42.298 40.800 0.157 0.000 1.181 368 D HN -0.035 nan 8.370 nan 0.000 0.435 369 P HA -0.107 nan 4.420 nan 0.000 0.215 369 P C 0.796 178.161 177.300 0.109 0.000 1.157 369 P CA 1.117 63.950 63.100 -0.444 0.000 0.868 369 P CB 0.358 31.550 31.700 -0.846 0.000 0.788 370 D N -1.597 118.931 120.400 0.213 0.000 2.117 370 D HA -0.144 4.496 4.640 -0.000 0.000 0.198 370 D C 1.768 178.268 176.300 0.334 0.000 0.982 370 D CA 0.943 55.149 54.000 0.343 0.000 0.828 370 D CB -0.560 40.415 40.800 0.293 0.000 0.967 370 D HN 0.089 nan 8.370 nan 0.000 0.464 371 F N 1.899 121.974 119.950 0.208 0.000 2.102 371 F HA -0.189 4.338 4.527 -0.000 0.000 0.298 371 F C 2.159 178.083 175.800 0.207 0.000 1.105 371 F CA 0.950 59.080 58.000 0.217 0.000 1.239 371 F CB -0.512 38.614 39.000 0.210 0.000 0.991 371 F HN -0.252 nan 8.300 nan 0.000 0.474 372 V N 0.980 120.949 119.914 0.092 0.000 2.427 372 V HA -0.332 3.788 4.120 -0.000 0.000 0.248 372 V C 2.552 178.707 176.094 0.101 0.000 1.051 372 V CA 2.078 64.392 62.300 0.024 0.000 1.048 372 V CB -0.651 31.350 31.823 0.297 0.000 0.666 372 V HN 0.559 nan 8.190 nan 0.000 0.456 373 M N 0.470 120.227 119.600 0.262 0.000 2.086 373 M HA -0.100 4.380 4.480 -0.000 0.000 0.261 373 M C 2.048 178.354 176.300 0.011 0.000 1.067 373 M CA 2.443 57.796 55.300 0.089 0.000 1.116 373 M CB -0.626 32.044 32.600 0.118 0.000 1.348 373 M HN 0.345 nan 8.290 nan 0.000 0.407 374 G N 0.543 109.353 108.800 0.017 0.000 2.418 374 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 374 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 374 G C 1.306 176.170 174.900 -0.059 0.000 1.158 374 G CA 0.927 46.010 45.100 -0.028 0.000 0.771 374 G HN 0.452 nan 8.290 nan 0.000 0.545 375 L N 0.956 122.064 121.223 -0.192 0.000 2.093 375 L HA 0.063 4.403 4.340 -0.000 0.000 0.208 375 L C 2.863 179.671 176.870 -0.103 0.000 1.085 375 L CA 2.262 56.985 54.840 -0.195 0.000 0.755 375 L CB -0.901 40.853 42.059 -0.508 0.000 0.904 375 L HN 0.166 nan 8.230 nan 0.000 0.435 376 T N -0.490 114.010 114.554 -0.089 0.000 2.746 376 T HA -0.218 4.132 4.350 -0.000 0.000 0.267 376 T C 1.986 176.672 174.700 -0.023 0.000 1.039 376 T CA 1.597 63.672 62.100 -0.043 0.000 1.142 376 T CB -0.234 68.615 68.868 -0.030 0.000 0.866 376 T HN 0.347 nan 8.240 nan 0.000 0.444 377 R N -0.193 120.301 120.500 -0.009 0.000 2.091 377 R HA -0.115 4.225 4.340 -0.000 0.000 0.238 377 R C 2.197 178.549 176.300 0.086 0.000 1.136 377 R CA 1.451 57.565 56.100 0.022 0.000 0.959 377 R CB -0.442 29.868 30.300 0.017 0.000 0.856 377 R HN 0.341 nan 8.270 nan 0.000 0.437 378 F N 1.230 121.127 119.950 -0.088 0.000 2.186 378 F HA -0.043 4.484 4.527 -0.000 0.000 0.299 378 F C 1.758 177.493 175.800 -0.107 0.000 1.090 378 F CA 1.070 59.018 58.000 -0.087 0.000 1.307 378 F CB -0.393 38.556 39.000 -0.085 0.000 1.019 378 F HN -0.007 nan 8.300 nan 0.000 0.489 379 L N -0.482 120.637 121.223 -0.174 0.000 2.046 379 L HA -0.256 4.084 4.340 -0.000 0.000 0.208 379 L C 2.492 179.227 176.870 -0.224 0.000 1.077 379 L CA 1.171 55.835 54.840 -0.294 0.000 0.747 379 L CB -0.774 41.154 42.059 -0.217 0.000 0.896 379 L HN 0.158 nan 8.230 nan 0.000 0.432 380 L N -0.590 120.565 121.223 -0.113 0.000 2.083 380 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 380 L C 2.387 179.161 176.870 -0.160 0.000 1.083 380 L CA 1.233 56.020 54.840 -0.087 0.000 0.752 380 L CB -0.497 41.573 42.059 0.020 0.000 0.899 380 L HN 0.270 nan 8.230 nan 0.000 0.433 381 E N 0.084 120.224 120.200 -0.100 0.000 2.265 381 E HA -0.170 4.180 4.350 -0.000 0.000 0.196 381 E C 2.103 178.593 176.600 -0.183 0.000 0.996 381 E CA 0.807 57.168 56.400 -0.065 0.000 0.832 381 E CB -0.010 29.755 29.700 0.108 0.000 0.756 381 E HN 0.485 nan 8.360 nan 0.000 0.491 382 L N -0.905 120.115 121.223 -0.339 0.000 2.509 382 L HA 0.149 4.489 4.340 -0.000 0.000 0.222 382 L C 1.354 178.020 176.870 -0.340 0.000 1.123 382 L CA 0.360 54.994 54.840 -0.343 0.000 0.856 382 L CB 0.212 41.996 42.059 -0.458 0.000 0.985 382 L HN 0.275 nan 8.230 nan 0.000 0.456 383 G N -0.675 107.753 108.800 -0.619 0.000 2.136 383 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.242 383 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.242 383 G C 0.168 174.570 174.900 -0.830 0.000 0.989 383 G CA -0.040 44.339 45.100 -1.201 0.000 0.682 383 G HN 0.307 nan 8.290 nan 0.000 0.522 384 C N 0.162 119.214 119.300 -0.413 0.000 2.362 384 C HA 0.653 5.113 4.460 -0.000 0.000 0.363 384 C C 0.648 175.662 174.990 0.040 0.000 1.220 384 C CA -0.565 58.411 59.018 -0.070 0.000 2.379 384 C CB 1.219 29.013 27.740 0.090 0.000 2.351 384 C HN 0.536 nan 8.230 nan 0.000 0.582 385 E N 2.390 122.692 120.200 0.169 0.000 2.101 385 E HA 0.210 4.560 4.350 -0.000 0.000 0.260 385 E C -2.424 174.301 176.600 0.209 0.000 0.897 385 E CA -1.363 55.141 56.400 0.173 0.000 0.744 385 E CB 1.002 30.780 29.700 0.129 0.000 1.140 385 E HN 0.441 nan 8.360 nan 0.000 0.419 386 P HA -0.007 nan 4.420 nan 0.000 0.247 386 P C 0.711 178.110 177.300 0.165 0.000 1.756 386 P CA -0.080 63.139 63.100 0.198 0.000 1.117 386 P CB 0.303 32.078 31.700 0.125 0.000 1.869 387 T N -0.515 114.136 114.554 0.162 0.000 2.985 387 T HA 0.046 4.396 4.350 -0.000 0.000 0.266 387 T C 0.739 175.529 174.700 0.150 0.000 1.076 387 T CA 0.567 62.738 62.100 0.118 0.000 1.135 387 T CB -0.089 68.825 68.868 0.077 0.000 0.890 387 T HN 0.094 nan 8.240 nan 0.000 0.480 388 V N 1.719 121.753 119.914 0.201 0.000 2.447 388 V HA 0.521 4.641 4.120 -0.000 0.000 0.292 388 V C -0.799 175.540 176.094 0.409 0.000 1.021 388 V CA -0.976 61.493 62.300 0.281 0.000 0.850 388 V CB 1.544 33.428 31.823 0.102 0.000 1.005 388 V HN 0.379 nan 8.190 nan 0.000 0.426 389 I N 6.191 127.041 120.570 0.466 0.000 2.439 389 I HA 0.541 4.711 4.170 -0.000 0.000 0.283 389 I C -0.781 175.672 176.117 0.559 0.000 1.023 389 I CA -0.377 61.188 61.300 0.441 0.000 1.100 389 I CB 1.889 40.056 38.000 0.278 0.000 1.238 389 I HN 0.447 nan 8.210 nan 0.000 0.445 390 L N 5.492 127.050 121.223 0.558 0.000 2.386 390 L HA 0.676 5.016 4.340 -0.000 0.000 0.271 390 L C -0.709 176.361 176.870 0.334 0.000 0.993 390 L CA -0.064 55.075 54.840 0.497 0.000 0.819 390 L CB 2.005 44.370 42.059 0.510 0.000 1.294 390 L HN 0.544 nan 8.230 nan 0.000 0.414 391 S N 1.974 117.798 115.700 0.206 0.000 2.789 391 S HA 0.247 4.717 4.470 -0.000 0.000 0.286 391 S C 0.384 175.008 174.600 0.039 0.000 1.153 391 S CA -0.510 57.694 58.200 0.006 0.000 1.084 391 S CB 0.611 63.550 63.200 -0.435 0.000 1.036 391 S HN 0.948 nan 8.310 nan 0.000 0.484 392 H N 4.099 123.165 119.070 -0.007 0.000 2.387 392 H HA -0.054 4.502 4.556 -0.000 0.000 0.299 392 H C 1.499 176.800 175.328 -0.045 0.000 1.090 392 H CA 1.908 57.955 56.048 -0.001 0.000 1.332 392 H CB 0.297 30.065 29.762 0.009 0.000 1.386 392 H HN 0.665 nan 8.280 nan 0.000 0.516 393 N N 0.680 119.383 118.700 0.006 0.000 2.268 393 N HA 0.105 4.845 4.740 -0.000 0.000 0.204 393 N C -0.134 175.257 175.510 -0.199 0.000 1.124 393 N CA 0.361 53.339 53.050 -0.120 0.000 0.838 393 N CB 0.130 38.520 38.487 -0.161 0.000 0.994 393 N HN 0.222 nan 8.380 nan 0.000 0.489 394 A N 0.946 123.576 122.820 -0.316 0.000 2.287 394 A HA 0.474 4.794 4.320 -0.000 0.000 0.273 394 A C 0.414 177.890 177.584 -0.180 0.000 1.091 394 A CA -0.553 51.180 52.037 -0.507 0.000 0.817 394 A CB 0.249 18.533 19.000 -1.194 0.000 1.069 394 A HN 0.565 nan 8.150 nan 0.000 0.492 395 N N -0.339 118.314 118.700 -0.078 0.000 2.741 395 N HA 0.310 5.050 4.740 -0.000 0.000 0.310 395 N C 0.097 175.686 175.510 0.132 0.000 1.295 395 N CA -0.630 52.455 53.050 0.058 0.000 0.893 395 N CB 0.544 39.086 38.487 0.092 0.000 1.247 395 N HN 0.481 nan 8.380 nan 0.000 0.596 396 K N -0.656 119.817 120.400 0.122 0.000 2.148 396 K HA -0.002 4.318 4.320 -0.000 0.000 0.204 396 K C 1.872 178.547 176.600 0.125 0.000 1.050 396 K CA 0.792 57.149 56.287 0.115 0.000 0.942 396 K CB -0.007 32.546 32.500 0.088 0.000 0.724 396 K HN 0.459 nan 8.250 nan 0.000 0.446 397 R N -0.058 120.546 120.500 0.173 0.000 2.075 397 R HA -0.164 4.176 4.340 -0.000 0.000 0.232 397 R C 1.994 178.392 176.300 0.163 0.000 1.126 397 R CA 1.433 57.673 56.100 0.234 0.000 0.963 397 R CB -0.247 30.269 30.300 0.360 0.000 0.858 397 R HN 0.341 nan 8.270 nan 0.000 0.435 398 W N 1.747 122.859 121.300 -0.313 0.000 2.358 398 W HA -0.233 4.427 4.660 -0.000 0.000 0.303 398 W C 2.264 178.512 176.519 -0.450 0.000 1.208 398 W CA 1.930 58.703 57.345 -0.954 0.000 1.274 398 W CB -0.217 28.668 29.460 -0.959 0.000 1.138 398 W HN 0.204 nan 8.180 nan 0.000 0.515 399 Q N 0.637 120.483 119.800 0.076 0.000 2.096 399 Q HA -0.259 4.081 4.340 -0.000 0.000 0.204 399 Q C 2.169 178.065 176.000 -0.174 0.000 0.982 399 Q CA 2.125 57.904 55.803 -0.039 0.000 0.850 399 Q CB -0.262 28.551 28.738 0.124 0.000 0.901 399 Q HN 0.284 nan 8.270 nan 0.000 0.422 400 K N -0.178 120.172 120.400 -0.083 0.000 2.057 400 K HA -0.135 4.185 4.320 -0.000 0.000 0.207 400 K C 2.113 178.647 176.600 -0.111 0.000 1.049 400 K CA 1.093 57.340 56.287 -0.066 0.000 0.931 400 K CB -0.202 32.302 32.500 0.007 0.000 0.714 400 K HN 0.270 nan 8.250 nan 0.000 0.440 401 A N 1.429 124.168 122.820 -0.134 0.000 1.902 401 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 401 A C 2.148 179.562 177.584 -0.282 0.000 1.181 401 A CA 1.433 53.391 52.037 -0.131 0.000 0.623 401 A CB -0.355 18.654 19.000 0.015 0.000 0.818 401 A HN 0.138 nan 8.150 nan 0.000 0.443 402 M N 0.055 119.329 119.600 -0.544 0.000 2.086 402 M HA -0.115 4.365 4.480 -0.000 0.000 0.261 402 M C 1.647 177.767 176.300 -0.300 0.000 1.067 402 M CA 1.277 56.247 55.300 -0.550 0.000 1.116 402 M CB -1.560 30.513 32.600 -0.879 0.000 1.348 402 M HN 0.405 nan 8.290 nan 0.000 0.407 403 N N 0.503 119.057 118.700 -0.244 0.000 2.244 403 N HA -0.148 4.592 4.740 -0.000 0.000 0.183 403 N C 1.648 177.093 175.510 -0.109 0.000 1.016 403 N CA 0.980 53.939 53.050 -0.151 0.000 0.866 403 N CB -0.282 38.131 38.487 -0.124 0.000 0.980 403 N HN 0.451 nan 8.380 nan 0.000 0.430 404 K N 0.848 121.187 120.400 -0.102 0.000 2.025 404 K HA -0.053 4.267 4.320 -0.000 0.000 0.207 404 K C 2.131 178.694 176.600 -0.062 0.000 1.049 404 K CA 0.888 57.136 56.287 -0.065 0.000 0.933 404 K CB -0.079 32.394 32.500 -0.045 0.000 0.714 404 K HN 0.046 nan 8.250 nan 0.000 0.438 405 M N 0.766 120.317 119.600 -0.082 0.000 2.086 405 M HA -0.176 4.303 4.480 -0.000 0.000 0.261 405 M C 1.855 178.124 176.300 -0.052 0.000 1.067 405 M CA 1.574 56.835 55.300 -0.065 0.000 1.116 405 M CB -0.058 32.489 32.600 -0.089 0.000 1.348 405 M HN 0.209 nan 8.290 nan 0.000 0.407 406 L N 0.009 121.189 121.223 -0.070 0.000 2.046 406 L HA -0.238 4.102 4.340 -0.000 0.000 0.208 406 L C 1.986 178.834 176.870 -0.036 0.000 1.077 406 L CA 1.138 55.950 54.840 -0.047 0.000 0.747 406 L CB -0.932 41.091 42.059 -0.061 0.000 0.896 406 L HN 0.281 nan 8.230 nan 0.000 0.432 407 D N 0.311 120.684 120.400 -0.046 0.000 2.178 407 D HA -0.138 4.502 4.640 -0.000 0.000 0.201 407 D C 2.011 178.294 176.300 -0.029 0.000 0.980 407 D CA 1.410 55.387 54.000 -0.039 0.000 0.842 407 D CB 0.015 40.790 40.800 -0.041 0.000 0.948 407 D HN 0.322 nan 8.370 nan 0.000 0.472 408 A N -0.271 122.535 122.820 -0.023 0.000 2.238 408 A HA 0.122 4.442 4.320 -0.000 0.000 0.208 408 A C 1.090 178.673 177.584 -0.002 0.000 1.177 408 A CA 0.046 52.075 52.037 -0.014 0.000 0.804 408 A CB 0.138 19.131 19.000 -0.011 0.000 0.823 408 A HN 0.093 nan 8.150 nan 0.000 0.482 409 S N -0.654 115.048 115.700 0.004 0.000 2.472 409 S HA 0.529 4.999 4.470 -0.000 0.000 0.303 409 S C -2.044 172.549 174.600 -0.012 0.000 1.099 409 S CA -1.520 56.700 58.200 0.033 0.000 1.077 409 S CB 1.387 64.634 63.200 0.078 0.000 1.031 409 S HN 0.040 nan 8.310 nan 0.000 0.487 410 P HA -0.033 nan 4.420 nan 0.000 0.219 410 P C 0.043 177.110 177.300 -0.388 0.000 1.146 410 P CA 1.161 64.112 63.100 -0.249 0.000 0.808 410 P CB -0.045 31.434 31.700 -0.367 0.000 0.779 411 Y N -1.663 118.626 120.300 -0.018 0.000 2.466 411 Y HA 0.322 4.872 4.550 -0.000 0.000 0.272 411 Y C 2.179 178.067 175.900 -0.019 0.000 1.169 411 Y CA 0.370 58.453 58.100 -0.028 0.000 1.285 411 Y CB -0.441 37.995 38.460 -0.040 0.000 1.078 411 Y HN -0.061 nan 8.280 nan 0.000 0.523 412 G N -0.713 108.123 108.800 0.060 0.000 3.393 412 G HA2 0.059 4.019 3.960 -0.000 0.000 0.255 412 G HA3 0.059 4.019 3.960 -0.000 0.000 0.255 412 G C 1.408 176.306 174.900 -0.003 0.000 1.097 412 G CA -0.268 44.851 45.100 0.032 0.000 0.780 412 G HN 0.237 nan 8.290 nan 0.000 0.540 413 R N 0.402 120.889 120.500 -0.022 0.000 2.148 413 R HA 0.014 4.354 4.340 -0.000 0.000 0.227 413 R C 0.570 176.856 176.300 -0.023 0.000 1.103 413 R CA 1.044 57.124 56.100 -0.034 0.000 0.983 413 R CB 0.199 30.468 30.300 -0.052 0.000 0.874 413 R HN 0.114 nan 8.270 nan 0.000 0.451 414 D N -0.082 120.313 120.400 -0.008 0.000 2.424 414 D HA 0.112 4.752 4.640 -0.000 0.000 0.220 414 D C -0.413 175.894 176.300 0.011 0.000 1.150 414 D CA 0.215 54.214 54.000 -0.001 0.000 0.831 414 D CB 0.701 41.505 40.800 0.006 0.000 0.981 414 D HN -0.066 nan 8.370 nan 0.000 0.500 415 S N 0.751 116.455 115.700 0.008 0.000 2.562 415 S HA 0.299 4.769 4.470 -0.000 0.000 0.275 415 S C 0.264 174.852 174.600 -0.020 0.000 1.281 415 S CA -0.394 57.818 58.200 0.020 0.000 1.045 415 S CB 1.740 64.952 63.200 0.019 0.000 0.962 415 S HN 0.063 nan 8.310 nan 0.000 0.503 416 E N 1.279 121.477 120.200 -0.004 0.000 2.234 416 E HA 0.481 4.831 4.350 -0.000 0.000 0.266 416 E C -1.386 175.095 176.600 -0.200 0.000 0.877 416 E CA -0.679 55.632 56.400 -0.149 0.000 0.758 416 E CB 1.921 31.558 29.700 -0.104 0.000 1.170 416 E HN 0.263 nan 8.360 nan 0.000 0.415 417 V N 3.751 123.444 119.914 -0.368 0.000 2.459 417 V HA 0.441 4.561 4.120 -0.000 0.000 0.295 417 V C -0.933 174.935 176.094 -0.377 0.000 1.029 417 V CA -0.653 61.538 62.300 -0.181 0.000 0.874 417 V CB 0.542 32.310 31.823 -0.092 0.000 0.985 417 V HN 0.532 nan 8.190 nan 0.000 0.438 418 F N 5.449 125.522 119.950 0.205 0.000 2.493 418 F HA 0.715 5.241 4.527 -0.000 0.000 0.329 418 F C 0.147 176.058 175.800 0.185 0.000 1.126 418 F CA -0.707 57.402 58.000 0.181 0.000 0.937 418 F CB 1.641 40.764 39.000 0.204 0.000 1.146 418 F HN 0.431 nan 8.300 nan 0.000 0.442 419 I N -0.242 120.492 120.570 0.274 0.000 2.797 419 I HA 0.574 4.744 4.170 -0.000 0.000 0.307 419 I C 0.012 176.220 176.117 0.152 0.000 1.033 419 I CA -0.994 60.416 61.300 0.183 0.000 1.071 419 I CB 1.873 39.959 38.000 0.144 0.000 1.255 419 I HN 0.617 nan 8.210 nan 0.000 0.445 420 N N 1.665 120.458 118.700 0.154 0.000 2.735 420 N HA -0.154 4.586 4.740 -0.000 0.000 0.248 420 N C -0.992 174.556 175.510 0.065 0.000 1.083 420 N CA 0.712 53.877 53.050 0.191 0.000 0.703 420 N CB -1.323 37.245 38.487 0.135 0.000 1.005 420 N HN 0.706 nan 8.380 nan 0.000 0.550 421 C N -0.197 119.068 119.300 -0.058 0.000 2.779 421 C HA 0.605 5.065 4.460 -0.000 0.000 0.314 421 C C 0.431 175.201 174.990 -0.367 0.000 1.231 421 C CA -0.760 58.156 59.018 -0.171 0.000 1.652 421 C CB 1.927 29.559 27.740 -0.181 0.000 2.198 421 C HN 0.536 nan 8.230 nan 0.000 0.483 422 D N -0.003 120.316 120.400 -0.134 0.000 2.650 422 D HA 0.416 5.056 4.640 -0.000 0.000 0.255 422 D C 0.452 176.678 176.300 -0.123 0.000 1.135 422 D CA -0.758 53.033 54.000 -0.348 0.000 1.099 422 D CB 0.256 40.859 40.800 -0.327 0.000 1.273 422 D HN 0.342 nan 8.370 nan 0.000 0.628 423 L N -0.836 120.307 121.223 -0.133 0.000 2.552 423 L HA 0.101 4.441 4.340 -0.000 0.000 0.227 423 L C 1.583 178.498 176.870 0.077 0.000 1.146 423 L CA 0.078 54.870 54.840 -0.081 0.000 0.858 423 L CB -0.182 41.771 42.059 -0.176 0.000 0.969 423 L HN 0.451 nan 8.230 nan 0.000 0.451 424 W N 0.632 121.835 121.300 -0.162 0.000 2.476 424 W HA -0.101 4.559 4.660 0.000 0.000 0.281 424 W C 2.150 178.549 176.519 -0.200 0.000 1.230 424 W CA 1.038 58.286 57.345 -0.161 0.000 1.287 424 W CB 0.004 29.322 29.460 -0.236 0.000 1.108 424 W HN 0.300 nan 8.180 nan 0.000 0.567 425 H N -1.212 117.772 119.070 -0.144 0.000 2.321 425 H HA -0.199 4.357 4.556 -0.000 0.000 0.300 425 H C 1.982 177.221 175.328 -0.148 0.000 1.087 425 H CA 2.380 58.204 56.048 -0.373 0.000 1.319 425 H CB -0.771 28.624 29.762 -0.610 0.000 1.379 425 H HN 0.006 nan 8.280 nan 0.000 0.501 426 F N 1.492 121.383 119.950 -0.098 0.000 2.171 426 F HA -0.188 4.339 4.527 -0.000 0.000 0.300 426 F C 2.696 178.424 175.800 -0.120 0.000 1.090 426 F CA 1.334 59.276 58.000 -0.098 0.000 1.293 426 F CB -0.076 38.862 39.000 -0.104 0.000 1.013 426 F HN -0.070 nan 8.300 nan 0.000 0.486 427 R N -0.250 120.224 120.500 -0.043 0.000 2.080 427 R HA -0.180 4.160 4.340 -0.000 0.000 0.236 427 R C 2.362 178.543 176.300 -0.198 0.000 1.137 427 R CA 2.019 57.995 56.100 -0.206 0.000 0.943 427 R CB -0.680 29.367 30.300 -0.422 0.000 0.846 427 R HN 0.233 nan 8.270 nan 0.000 0.431 428 S N 0.884 116.483 115.700 -0.167 0.000 2.370 428 S HA -0.110 4.360 4.470 -0.000 0.000 0.226 428 S C 1.873 176.458 174.600 -0.025 0.000 1.033 428 S CA 1.366 59.559 58.200 -0.011 0.000 1.011 428 S CB -0.195 63.039 63.200 0.056 0.000 0.852 428 S HN 0.302 nan 8.310 nan 0.000 0.457 429 L N 0.760 121.910 121.223 -0.122 0.000 2.131 429 L HA -0.101 4.239 4.340 -0.000 0.000 0.210 429 L C 2.413 179.115 176.870 -0.281 0.000 1.092 429 L CA 0.733 55.439 54.840 -0.223 0.000 0.759 429 L CB -0.511 41.332 42.059 -0.361 0.000 0.903 429 L HN 0.326 nan 8.230 nan 0.000 0.435 430 M N -1.372 118.000 119.600 -0.381 0.000 2.254 430 M HA -0.116 4.364 4.480 -0.000 0.000 0.265 430 M C 2.207 178.323 176.300 -0.307 0.000 1.066 430 M CA 1.652 56.718 55.300 -0.389 0.000 1.123 430 M CB -0.906 31.428 32.600 -0.443 0.000 1.388 430 M HN 0.132 nan 8.290 nan 0.000 0.425 431 F N 0.791 120.641 119.950 -0.167 0.000 2.234 431 F HA -0.110 4.417 4.527 0.000 0.000 0.296 431 F C 2.787 178.512 175.800 -0.124 0.000 1.089 431 F CA 1.795 59.704 58.000 -0.152 0.000 1.343 431 F CB -1.086 37.779 39.000 -0.225 0.000 1.040 431 F HN 0.275 nan 8.300 nan 0.000 0.498 432 T N -2.593 111.996 114.554 0.058 0.000 2.976 432 T HA 0.024 4.374 4.350 -0.000 0.000 0.257 432 T C 1.950 176.644 174.700 -0.011 0.000 1.051 432 T CA 0.434 62.539 62.100 0.008 0.000 1.141 432 T CB -0.030 68.826 68.868 -0.020 0.000 0.881 432 T HN 0.006 nan 8.240 nan 0.000 0.461 433 R N 0.752 121.227 120.500 -0.042 0.000 2.254 433 R HA 0.237 4.577 4.340 -0.000 0.000 0.195 433 R C 0.533 176.807 176.300 -0.043 0.000 0.957 433 R CA 0.043 56.119 56.100 -0.040 0.000 1.024 433 R CB -0.498 29.771 30.300 -0.051 0.000 0.952 433 R HN 0.465 nan 8.270 nan 0.000 0.484 434 Q N 1.364 121.128 119.800 -0.061 0.000 2.426 434 Q HA -0.131 4.209 4.340 -0.000 0.000 0.359 434 Q C -1.989 173.959 176.000 -0.085 0.000 1.381 434 Q CA 0.459 56.224 55.803 -0.063 0.000 1.060 434 Q CB -1.080 27.660 28.738 0.003 0.000 1.253 434 Q HN 0.313 nan 8.270 nan 0.000 0.363 435 P HA 0.023 nan 4.420 nan 0.000 0.273 435 P C 0.604 177.789 177.300 -0.193 0.000 1.250 435 P CA -0.223 62.810 63.100 -0.112 0.000 0.793 435 P CB 0.619 32.283 31.700 -0.060 0.000 1.011 436 D N -0.651 119.592 120.400 -0.262 0.000 2.117 436 D HA -0.007 4.633 4.640 -0.000 0.000 0.198 436 D C 0.404 176.248 176.300 -0.760 0.000 0.982 436 D CA 1.656 55.389 54.000 -0.445 0.000 0.828 436 D CB -0.062 40.552 40.800 -0.310 0.000 0.967 436 D HN 0.320 nan 8.370 nan 0.000 0.464 437 F N -0.936 118.879 119.950 -0.225 0.000 2.643 437 F HA 0.397 4.924 4.527 0.000 0.000 0.314 437 F C -0.206 175.668 175.800 0.123 0.000 1.096 437 F CA -1.263 56.717 58.000 -0.034 0.000 0.953 437 F CB 1.508 40.543 39.000 0.059 0.000 1.345 437 F HN -0.343 nan 8.300 nan 0.000 0.468 438 M N 1.885 121.731 119.600 0.409 0.000 2.395 438 M HA 0.724 5.204 4.480 -0.000 0.000 0.307 438 M C -1.909 174.609 176.300 0.364 0.000 1.091 438 M CA -0.538 55.025 55.300 0.437 0.000 0.919 438 M CB 2.493 35.385 32.600 0.487 0.000 1.662 438 M HN 0.464 nan 8.290 nan 0.000 0.440 439 I N 2.690 123.439 120.570 0.299 0.000 2.339 439 I HA 0.851 5.021 4.170 -0.000 0.000 0.290 439 I C 0.326 176.370 176.117 -0.122 0.000 0.994 439 I CA -0.205 61.170 61.300 0.124 0.000 1.191 439 I CB 1.677 39.742 38.000 0.109 0.000 1.343 439 I HN 1.035 nan 8.210 nan 0.000 0.458 440 G N 4.576 113.249 108.800 -0.211 0.000 2.570 440 G HA2 0.315 4.275 3.960 -0.000 0.000 0.310 440 G HA3 0.315 4.275 3.960 -0.000 0.000 0.310 440 G C -1.599 173.124 174.900 -0.296 0.000 1.266 440 G CA -0.607 44.079 45.100 -0.690 0.000 0.825 440 G HN 0.582 nan 8.290 nan 0.000 0.483 441 N N -1.471 117.097 118.700 -0.220 0.000 2.776 441 N HA 0.411 5.151 4.740 -0.000 0.000 0.319 441 N C 1.099 176.522 175.510 -0.146 0.000 1.316 441 N CA 0.172 53.125 53.050 -0.161 0.000 0.890 441 N CB 0.634 39.009 38.487 -0.186 0.000 1.165 441 N HN 0.231 nan 8.380 nan 0.000 0.596 442 S N -1.435 114.053 115.700 -0.353 0.000 2.442 442 S HA -0.063 4.406 4.470 -0.000 0.000 0.236 442 S C 1.126 175.564 174.600 -0.270 0.000 1.007 442 S CA 0.677 58.677 58.200 -0.334 0.000 0.965 442 S CB -0.725 62.235 63.200 -0.400 0.000 0.773 442 S HN 0.483 nan 8.310 nan 0.000 0.504 443 Y N 1.565 121.861 120.300 -0.007 0.000 2.421 443 Y HA 0.035 4.585 4.550 0.000 0.000 0.292 443 Y C 2.492 178.473 175.900 0.135 0.000 1.136 443 Y CA 0.215 58.389 58.100 0.124 0.000 1.255 443 Y CB -1.076 37.486 38.460 0.170 0.000 0.991 443 Y HN 0.323 nan 8.280 nan 0.000 0.552 444 G N 0.627 109.586 108.800 0.266 0.000 2.559 444 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 444 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 444 G C 1.692 176.650 174.900 0.097 0.000 1.126 444 G CA 0.712 45.968 45.100 0.261 0.000 0.778 444 G HN 0.534 nan 8.290 nan 0.000 0.543 445 K N -0.355 119.976 120.400 -0.115 0.000 2.147 445 K HA -0.032 4.288 4.320 -0.000 0.000 0.205 445 K C 1.794 178.303 176.600 -0.152 0.000 1.049 445 K CA 1.044 57.201 56.287 -0.217 0.000 0.936 445 K CB -0.464 31.792 32.500 -0.407 0.000 0.722 445 K HN 0.235 nan 8.250 nan 0.000 0.446 446 F N 1.804 121.839 119.950 0.141 0.000 2.325 446 F HA 0.087 4.614 4.527 0.000 0.000 0.299 446 F C 2.100 177.978 175.800 0.131 0.000 1.090 446 F CA 0.352 58.437 58.000 0.142 0.000 1.392 446 F CB -0.337 38.769 39.000 0.176 0.000 1.053 446 F HN -0.089 nan 8.300 nan 0.000 0.521 447 I N -0.469 120.264 120.570 0.270 0.000 2.353 447 I HA -0.260 3.910 4.170 -0.000 0.000 0.248 447 I C 2.546 178.704 176.117 0.068 0.000 1.119 447 I CA 1.115 62.505 61.300 0.150 0.000 1.417 447 I CB -0.518 37.588 38.000 0.177 0.000 1.078 447 I HN 0.176 nan 8.210 nan 0.000 0.421 448 Q N 1.369 121.218 119.800 0.083 0.000 2.020 448 Q HA -0.261 4.079 4.340 -0.000 0.000 0.202 448 Q C 2.500 178.535 176.000 0.059 0.000 0.982 448 Q CA 1.605 57.434 55.803 0.044 0.000 0.838 448 Q CB -0.133 28.632 28.738 0.044 0.000 0.899 448 Q HN 0.274 nan 8.270 nan 0.000 0.423 449 R N 0.189 120.745 120.500 0.094 0.000 2.096 449 R HA -0.195 4.145 4.340 -0.000 0.000 0.240 449 R C 1.398 177.795 176.300 0.162 0.000 1.139 449 R CA 2.089 58.260 56.100 0.119 0.000 0.952 449 R CB -0.299 30.098 30.300 0.162 0.000 0.854 449 R HN 0.412 nan 8.270 nan 0.000 0.436 450 D N -0.599 119.927 120.400 0.210 0.000 2.144 450 D HA -0.118 4.522 4.640 -0.000 0.000 0.200 450 D C 1.919 178.467 176.300 0.414 0.000 0.978 450 D CA 2.037 56.252 54.000 0.358 0.000 0.833 450 D CB -0.409 40.608 40.800 0.362 0.000 0.961 450 D HN 0.471 nan 8.370 nan 0.000 0.470 451 T N -0.503 114.091 114.554 0.067 0.000 2.821 451 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 451 T C 2.013 176.839 174.700 0.209 0.000 1.046 451 T CA 0.627 62.706 62.100 -0.035 0.000 1.139 451 T CB -0.522 68.161 68.868 -0.309 0.000 0.871 451 T HN 0.056 nan 8.240 nan 0.000 0.454 452 L N 1.836 123.148 121.223 0.149 0.000 2.131 452 L HA 0.284 4.624 4.340 -0.000 0.000 0.210 452 L C 2.724 179.704 176.870 0.184 0.000 1.092 452 L CA 1.604 56.531 54.840 0.145 0.000 0.759 452 L CB -1.140 40.969 42.059 0.083 0.000 0.903 452 L HN 0.376 nan 8.230 nan 0.000 0.435 453 A N -0.942 121.999 122.820 0.201 0.000 2.119 453 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 453 A C 2.388 180.119 177.584 0.244 0.000 1.153 453 A CA 1.434 53.536 52.037 0.110 0.000 0.692 453 A CB -0.573 18.352 19.000 -0.125 0.000 0.799 453 A HN 0.527 nan 8.150 nan 0.000 0.458 454 K N -0.837 119.831 120.400 0.446 0.000 2.155 454 K HA 0.174 4.494 4.320 -0.000 0.000 0.203 454 K C 0.651 177.460 176.600 0.349 0.000 1.052 454 K CA 1.061 57.563 56.287 0.360 0.000 0.948 454 K CB -0.088 32.538 32.500 0.210 0.000 0.728 454 K HN 0.525 nan 8.250 nan 0.000 0.448 455 G N -0.355 108.711 108.800 0.442 0.000 2.376 455 G HA2 0.021 3.981 3.960 -0.000 0.000 0.302 455 G HA3 0.021 3.981 3.960 -0.000 0.000 0.302 455 G C -0.755 174.294 174.900 0.249 0.000 1.586 455 G CA -0.663 44.674 45.100 0.395 0.000 0.907 455 G HN -0.014 nan 8.290 nan 0.000 0.655 456 K N 0.285 120.743 120.400 0.096 0.000 2.074 456 K HA -0.125 4.195 4.320 -0.000 0.000 0.209 456 K C 2.730 179.272 176.600 -0.097 0.000 1.048 456 K CA 1.970 58.261 56.287 0.006 0.000 0.926 456 K CB -0.086 32.404 32.500 -0.016 0.000 0.713 456 K HN 0.621 nan 8.250 nan 0.000 0.444 457 A N 0.271 122.934 122.820 -0.262 0.000 2.125 457 A HA -0.091 4.229 4.320 -0.000 0.000 0.219 457 A C 1.350 178.548 177.584 -0.644 0.000 1.156 457 A CA 1.099 52.825 52.037 -0.519 0.000 0.671 457 A CB -0.408 18.104 19.000 -0.814 0.000 0.794 457 A HN 0.244 nan 8.150 nan 0.000 0.459 458 F N -0.321 119.630 119.950 0.002 0.000 2.678 458 F HA 0.243 4.770 4.527 0.000 0.000 0.305 458 F C 0.835 176.603 175.800 -0.054 0.000 1.090 458 F CA -0.530 57.470 58.000 -0.001 0.000 1.272 458 F CB 0.022 39.075 39.000 0.088 0.000 1.060 458 F HN 0.211 nan 8.300 nan 0.000 0.576 459 E N 1.716 121.943 120.200 0.044 0.000 2.415 459 E HA 0.172 4.522 4.350 -0.000 0.000 0.263 459 E C -0.819 175.718 176.600 -0.105 0.000 0.995 459 E CA -0.034 56.356 56.400 -0.016 0.000 0.915 459 E CB 0.803 30.488 29.700 -0.025 0.000 0.951 459 E HN -0.078 nan 8.360 nan 0.000 0.449 460 V N 7.720 127.566 119.914 -0.115 0.000 2.313 460 V HA 0.270 4.390 4.120 -0.000 0.000 0.278 460 V C -2.221 173.830 176.094 -0.070 0.000 1.017 460 V CA -1.883 60.326 62.300 -0.152 0.000 0.823 460 V CB 1.103 32.847 31.823 -0.132 0.000 1.010 460 V HN 0.727 nan 8.190 nan 0.000 0.443 461 P HA 0.192 nan 4.420 nan 0.000 0.271 461 P C -0.559 176.871 177.300 0.217 0.000 1.216 461 P CA -0.349 62.803 63.100 0.087 0.000 0.776 461 P CB 0.763 32.564 31.700 0.169 0.000 0.881 462 L N 4.330 125.657 121.223 0.173 0.000 2.312 462 L HA 0.421 4.761 4.340 -0.000 0.000 0.281 462 L C -0.744 176.228 176.870 0.169 0.000 1.070 462 L CA -0.037 54.908 54.840 0.176 0.000 0.805 462 L CB 0.139 42.261 42.059 0.104 0.000 1.174 462 L HN 0.246 nan 8.230 nan 0.000 0.434 463 I N 5.220 125.891 120.570 0.168 0.000 2.362 463 I HA 0.398 4.568 4.170 -0.000 0.000 0.289 463 I C -0.070 176.086 176.117 0.066 0.000 0.994 463 I CA -0.654 60.710 61.300 0.106 0.000 1.158 463 I CB 1.243 39.307 38.000 0.107 0.000 1.315 463 I HN 0.538 nan 8.210 nan 0.000 0.451 464 R N 7.128 127.652 120.500 0.041 0.000 2.220 464 R HA 0.564 4.904 4.340 -0.000 0.000 0.340 464 R C -1.197 175.144 176.300 0.068 0.000 1.076 464 R CA -0.107 56.006 56.100 0.022 0.000 0.920 464 R CB 0.338 30.637 30.300 -0.002 0.000 1.062 464 R HN 0.502 nan 8.270 nan 0.000 0.469 465 L N 2.690 123.962 121.223 0.080 0.000 2.491 465 L HA 0.601 4.941 4.340 -0.000 0.000 0.267 465 L C 0.325 177.225 176.870 0.049 0.000 0.971 465 L CA -0.479 54.470 54.840 0.182 0.000 0.857 465 L CB 2.074 44.294 42.059 0.269 0.000 1.226 465 L HN 0.892 nan 8.230 nan 0.000 0.408 466 G N 2.411 111.190 108.800 -0.035 0.000 2.347 466 G HA2 0.172 4.132 3.960 -0.000 0.000 0.224 466 G HA3 0.172 4.132 3.960 -0.000 0.000 0.224 466 G C -2.145 172.635 174.900 -0.200 0.000 1.318 466 G CA -0.401 44.503 45.100 -0.326 0.000 1.016 466 G HN 0.390 nan 8.290 nan 0.000 0.469 467 F N 1.922 121.657 119.950 -0.357 0.000 2.635 467 F HA 0.696 5.223 4.527 -0.000 0.000 0.314 467 F C -2.541 173.034 175.800 -0.374 0.000 1.119 467 F CA -1.425 56.305 58.000 -0.450 0.000 1.000 467 F CB 2.573 41.312 39.000 -0.435 0.000 1.278 467 F HN 0.493 nan 8.300 nan 0.000 0.446 468 P HA 0.445 nan 4.420 nan 0.000 0.284 468 P C -1.471 175.179 177.300 -1.084 0.000 1.258 468 P CA -0.475 61.500 63.100 -1.875 0.000 0.824 468 P CB 2.367 32.351 31.700 -2.860 0.000 1.038 469 L N 2.691 123.611 121.223 -0.505 0.000 2.324 469 L HA 0.347 4.687 4.340 -0.000 0.000 0.274 469 L C 0.266 176.981 176.870 -0.258 0.000 1.012 469 L CA -0.423 54.204 54.840 -0.355 0.000 0.859 469 L CB 0.566 42.510 42.059 -0.193 0.000 1.224 469 L HN 0.267 nan 8.230 nan 0.000 0.429 470 F N 0.458 120.247 119.950 -0.268 0.000 2.727 470 F HA 0.079 4.606 4.527 -0.000 0.000 0.302 470 F C 1.568 177.282 175.800 -0.143 0.000 1.107 470 F CA -0.394 57.465 58.000 -0.236 0.000 1.277 470 F CB 0.224 39.057 39.000 -0.277 0.000 1.079 470 F HN 0.530 nan 8.300 nan 0.000 0.594 471 D N -0.960 119.469 120.400 0.049 0.000 2.440 471 D HA 0.134 4.774 4.640 -0.000 0.000 0.216 471 D C 0.487 176.796 176.300 0.016 0.000 1.150 471 D CA 0.197 54.211 54.000 0.023 0.000 0.832 471 D CB 0.393 41.173 40.800 -0.035 0.000 0.992 471 D HN -0.070 nan 8.370 nan 0.000 0.502 472 R N -0.213 120.311 120.500 0.039 0.000 2.808 472 R HA 0.426 4.766 4.340 -0.000 0.000 0.272 472 R C -0.729 175.655 176.300 0.140 0.000 0.995 472 R CA -0.559 55.569 56.100 0.046 0.000 0.917 472 R CB 1.241 31.544 30.300 0.004 0.000 1.217 472 R HN 0.213 nan 8.270 nan 0.000 0.471 473 H N 1.274 120.264 119.070 -0.134 0.000 2.472 473 H HA 0.271 4.827 4.556 -0.000 0.000 0.338 473 H C -0.123 175.059 175.328 -0.245 0.000 1.133 473 H CA -0.550 55.312 56.048 -0.309 0.000 1.216 473 H CB 1.182 30.698 29.762 -0.411 0.000 1.497 473 H HN 0.636 nan 8.280 nan 0.000 0.500 474 H N 1.175 120.325 119.070 0.133 0.000 3.237 474 H HA -0.169 4.387 4.556 0.000 0.000 0.231 474 H C 1.209 176.442 175.328 -0.159 0.000 1.148 474 H CA 0.639 56.659 56.048 -0.046 0.000 1.155 474 H CB -1.392 28.361 29.762 -0.014 0.000 1.210 474 H HN 0.648 nan 8.280 nan 0.000 0.317 475 L N 0.932 122.156 121.223 0.001 0.000 2.201 475 L HA -0.118 4.222 4.340 -0.000 0.000 0.212 475 L C 2.784 179.677 176.870 0.038 0.000 1.105 475 L CA 1.565 56.424 54.840 0.032 0.000 0.775 475 L CB -0.538 41.553 42.059 0.053 0.000 0.913 475 L HN 0.494 nan 8.230 nan 0.000 0.440 476 H N 0.450 119.461 119.070 -0.099 0.000 2.560 476 H HA -0.094 4.462 4.556 0.000 0.000 0.283 476 H C 1.697 177.133 175.328 0.180 0.000 1.028 476 H CA 0.603 56.608 56.048 -0.071 0.000 1.221 476 H CB -0.286 29.307 29.762 -0.282 0.000 1.363 476 H HN 0.390 nan 8.280 nan 0.000 0.594 477 R N 0.566 120.826 120.500 -0.400 0.000 2.236 477 R HA 0.055 4.395 4.340 -0.000 0.000 0.208 477 R C 0.888 177.203 176.300 0.026 0.000 1.036 477 R CA 0.078 56.081 56.100 -0.161 0.000 1.001 477 R CB 0.196 30.381 30.300 -0.193 0.000 0.896 477 R HN 0.473 nan 8.270 nan 0.000 0.464 478 Q N 0.419 120.279 119.800 0.099 0.000 2.631 478 Q HA 0.093 4.433 4.340 -0.000 0.000 0.210 478 Q C -0.393 175.578 176.000 -0.047 0.000 1.094 478 Q CA 0.492 56.313 55.803 0.031 0.000 1.055 478 Q CB 0.813 29.556 28.738 0.008 0.000 1.261 478 Q HN -0.045 nan 8.270 nan 0.000 0.615 479 T N -0.059 114.398 114.554 -0.162 0.000 2.841 479 T HA 0.324 4.674 4.350 -0.000 0.000 0.283 479 T C 0.306 174.822 174.700 -0.307 0.000 1.000 479 T CA -0.556 61.416 62.100 -0.215 0.000 0.977 479 T CB 1.492 70.299 68.868 -0.101 0.000 0.979 479 T HN 0.791 nan 8.240 nan 0.000 0.446 480 T N -2.324 112.009 114.554 -0.368 0.000 3.016 480 T HA 0.236 4.586 4.350 -0.000 0.000 0.271 480 T C -0.029 174.735 174.700 0.106 0.000 0.968 480 T CA -0.366 61.607 62.100 -0.212 0.000 0.891 480 T CB 0.202 68.902 68.868 -0.281 0.000 1.149 480 T HN 0.416 nan 8.240 nan 0.000 0.524 481 W N 1.769 122.966 121.300 -0.172 0.000 2.485 481 W HA 0.717 5.377 4.660 -0.000 0.000 0.364 481 W C 1.160 177.561 176.519 -0.196 0.000 1.171 481 W CA -0.172 57.068 57.345 -0.177 0.000 1.304 481 W CB 0.139 29.498 29.460 -0.167 0.000 1.335 481 W HN 0.619 nan 8.180 nan 0.000 0.643 482 G N 0.100 108.877 108.800 -0.038 0.000 2.796 482 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.226 482 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.226 482 G C -0.088 174.687 174.900 -0.209 0.000 1.381 482 G CA 0.108 45.080 45.100 -0.214 0.000 0.867 482 G HN 0.469 nan 8.290 nan 0.000 0.552 483 Y N 0.054 120.323 120.300 -0.052 0.000 2.242 483 Y HA 0.052 4.602 4.550 0.000 0.000 0.291 483 Y C 2.796 178.673 175.900 -0.038 0.000 1.137 483 Y CA 1.826 59.892 58.100 -0.056 0.000 1.181 483 Y CB -0.419 38.020 38.460 -0.036 0.000 0.989 483 Y HN 0.799 nan 8.280 nan 0.000 0.527 484 E N 0.015 120.275 120.200 0.100 0.000 2.051 484 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 484 E C 2.551 179.161 176.600 0.018 0.000 0.991 484 E CA 1.234 57.666 56.400 0.054 0.000 0.799 484 E CB -0.522 29.197 29.700 0.032 0.000 0.748 484 E HN 0.463 nan 8.360 nan 0.000 0.449 485 G N 0.422 109.218 108.800 -0.007 0.000 2.408 485 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 485 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 485 G C 1.633 176.521 174.900 -0.020 0.000 1.150 485 G CA 0.776 45.855 45.100 -0.033 0.000 0.776 485 G HN 0.411 nan 8.290 nan 0.000 0.542 486 A N 0.682 123.479 122.820 -0.039 0.000 1.933 486 A HA 0.059 4.379 4.320 -0.000 0.000 0.218 486 A C 2.432 180.082 177.584 0.108 0.000 1.175 486 A CA 1.633 53.644 52.037 -0.042 0.000 0.628 486 A CB -0.346 18.529 19.000 -0.209 0.000 0.814 486 A HN 0.378 nan 8.150 nan 0.000 0.444 487 M N -0.565 119.085 119.600 0.083 0.000 2.149 487 M HA -0.180 4.300 4.480 -0.000 0.000 0.261 487 M C 2.135 178.469 176.300 0.055 0.000 1.064 487 M CA 1.881 57.228 55.300 0.077 0.000 1.102 487 M CB -0.491 32.143 32.600 0.056 0.000 1.369 487 M HN 0.594 nan 8.290 nan 0.000 0.408 488 N N 1.103 119.820 118.700 0.030 0.000 2.188 488 N HA -0.086 4.654 4.740 -0.000 0.000 0.184 488 N C 1.313 176.835 175.510 0.020 0.000 1.018 488 N CA 1.413 54.467 53.050 0.006 0.000 0.858 488 N CB -0.167 38.298 38.487 -0.037 0.000 0.989 488 N HN 0.328 nan 8.380 nan 0.000 0.426 489 I N -0.535 120.072 120.570 0.060 0.000 2.252 489 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 489 I C 2.008 178.166 176.117 0.069 0.000 1.102 489 I CA 0.574 61.926 61.300 0.087 0.000 1.385 489 I CB -0.188 37.936 38.000 0.205 0.000 1.064 489 I HN -0.006 nan 8.210 nan 0.000 0.414 490 V N 0.537 120.523 119.914 0.120 0.000 2.295 490 V HA -0.287 3.833 4.120 -0.000 0.000 0.246 490 V C 2.516 178.620 176.094 0.017 0.000 1.049 490 V CA 2.484 64.816 62.300 0.053 0.000 1.024 490 V CB -0.948 30.936 31.823 0.101 0.000 0.648 490 V HN 0.463 nan 8.190 nan 0.000 0.447 491 T N -0.482 114.085 114.554 0.023 0.000 2.746 491 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 491 T C 1.963 176.649 174.700 -0.024 0.000 1.039 491 T CA 2.123 64.223 62.100 0.001 0.000 1.142 491 T CB -0.407 68.464 68.868 0.005 0.000 0.866 491 T HN 0.552 nan 8.240 nan 0.000 0.444 492 T N 2.450 116.990 114.554 -0.023 0.000 2.708 492 T HA 0.019 4.369 4.350 -0.000 0.000 0.266 492 T C 1.991 176.645 174.700 -0.076 0.000 1.037 492 T CA 0.958 63.034 62.100 -0.040 0.000 1.146 492 T CB -0.454 68.400 68.868 -0.024 0.000 0.865 492 T HN 0.249 nan 8.240 nan 0.000 0.435 493 L N 0.446 121.618 121.223 -0.085 0.000 2.027 493 L HA -0.029 4.311 4.340 -0.000 0.000 0.206 493 L C 2.735 179.534 176.870 -0.117 0.000 1.074 493 L CA 0.911 55.677 54.840 -0.123 0.000 0.745 493 L CB -0.718 41.251 42.059 -0.150 0.000 0.898 493 L HN 0.138 nan 8.230 nan 0.000 0.433 494 V N 0.346 120.221 119.914 -0.064 0.000 2.427 494 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 494 V C 2.093 178.107 176.094 -0.133 0.000 1.051 494 V CA 1.850 64.120 62.300 -0.050 0.000 1.048 494 V CB -0.406 31.428 31.823 0.019 0.000 0.666 494 V HN 0.497 nan 8.190 nan 0.000 0.456 495 N N 0.555 119.183 118.700 -0.119 0.000 2.457 495 N HA 0.046 4.786 4.740 -0.000 0.000 0.180 495 N C 1.736 177.160 175.510 -0.143 0.000 1.050 495 N CA 1.285 54.255 53.050 -0.134 0.000 0.906 495 N CB -0.256 38.177 38.487 -0.090 0.000 0.968 495 N HN 0.592 nan 8.380 nan 0.000 0.445 496 A N 0.544 123.257 122.820 -0.178 0.000 1.898 496 A HA -0.047 4.273 4.320 -0.000 0.000 0.216 496 A C 2.399 179.831 177.584 -0.253 0.000 1.181 496 A CA 1.009 52.913 52.037 -0.222 0.000 0.620 496 A CB -0.629 18.149 19.000 -0.369 0.000 0.819 496 A HN 0.077 nan 8.150 nan 0.000 0.442 497 V N 0.209 119.919 119.914 -0.340 0.000 2.343 497 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 497 V C 2.518 178.541 176.094 -0.118 0.000 1.051 497 V CA 1.980 64.209 62.300 -0.117 0.000 1.036 497 V CB -0.710 31.083 31.823 -0.050 0.000 0.654 497 V HN 0.568 nan 8.190 nan 0.000 0.451 498 L N -0.143 120.919 121.223 -0.270 0.000 2.156 498 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 498 L C 2.772 179.529 176.870 -0.189 0.000 1.095 498 L CA 1.514 56.134 54.840 -0.367 0.000 0.770 498 L CB -0.670 41.113 42.059 -0.460 0.000 0.914 498 L HN 0.405 nan 8.230 nan 0.000 0.439 499 E N 0.836 120.974 120.200 -0.103 0.000 2.072 499 E HA -0.269 4.081 4.350 -0.000 0.000 0.191 499 E C 2.115 178.727 176.600 0.020 0.000 0.985 499 E CA 1.651 58.031 56.400 -0.034 0.000 0.801 499 E CB -0.030 29.662 29.700 -0.012 0.000 0.750 499 E HN 0.375 nan 8.360 nan 0.000 0.452 500 K N 0.201 120.649 120.400 0.079 0.000 2.057 500 K HA -0.018 4.302 4.320 -0.000 0.000 0.206 500 K C 2.174 178.803 176.600 0.048 0.000 1.050 500 K CA 1.511 57.862 56.287 0.107 0.000 0.935 500 K CB -0.845 31.799 32.500 0.240 0.000 0.715 500 K HN 0.351 nan 8.250 nan 0.000 0.439 501 L N 0.946 122.179 121.223 0.018 0.000 2.056 501 L HA -0.104 4.236 4.340 -0.000 0.000 0.207 501 L C 1.351 178.232 176.870 0.019 0.000 1.078 501 L CA 1.966 56.803 54.840 -0.005 0.000 0.749 501 L CB -0.745 41.265 42.059 -0.080 0.000 0.901 501 L HN 0.186 nan 8.230 nan 0.000 0.433 502 D N -1.054 119.356 120.400 0.017 0.000 2.123 502 D HA -0.198 4.442 4.640 -0.000 0.000 0.196 502 D C 2.398 178.814 176.300 0.194 0.000 0.992 502 D CA 1.499 55.593 54.000 0.157 0.000 0.833 502 D CB -0.182 40.670 40.800 0.087 0.000 0.954 502 D HN 0.405 nan 8.370 nan 0.000 0.455 503 S N 0.076 115.828 115.700 0.088 0.000 2.368 503 S HA -0.167 4.303 4.470 -0.000 0.000 0.225 503 S C 1.385 175.983 174.600 -0.003 0.000 1.030 503 S CA 1.358 59.583 58.200 0.042 0.000 0.999 503 S CB -0.159 63.057 63.200 0.026 0.000 0.844 503 S HN 0.084 nan 8.310 nan 0.000 0.459 504 D N 0.530 120.928 120.400 -0.002 0.000 2.178 504 D HA -0.041 4.599 4.640 -0.000 0.000 0.201 504 D C 1.804 178.066 176.300 -0.064 0.000 0.980 504 D CA 1.661 55.641 54.000 -0.033 0.000 0.842 504 D CB -0.441 40.344 40.800 -0.026 0.000 0.948 504 D HN 0.670 nan 8.370 nan 0.000 0.472 505 T N -2.299 112.232 114.554 -0.038 0.000 3.186 505 T HA 0.114 4.464 4.350 -0.000 0.000 0.257 505 T C 1.099 175.654 174.700 -0.242 0.000 1.029 505 T CA -0.065 61.980 62.100 -0.092 0.000 0.916 505 T CB -0.109 68.763 68.868 0.008 0.000 1.041 505 T HN -0.021 nan 8.240 nan 0.000 0.562 506 S N 0.020 115.515 115.700 -0.342 0.000 2.582 506 S HA 0.214 4.684 4.470 -0.000 0.000 0.234 506 S C 0.434 174.756 174.600 -0.463 0.000 0.961 506 S CA -0.706 57.053 58.200 -0.735 0.000 0.953 506 S CB -0.244 62.676 63.200 -0.467 0.000 0.800 506 S HN 0.606 nan 8.310 nan 0.000 0.471 507 Q N 1.855 121.474 119.800 -0.302 0.000 2.406 507 Q HA 0.359 4.699 4.340 -0.000 0.000 0.242 507 Q C -0.612 175.282 176.000 -0.176 0.000 1.036 507 Q CA -0.790 54.898 55.803 -0.192 0.000 0.904 507 Q CB 0.426 29.092 28.738 -0.120 0.000 1.244 507 Q HN 0.501 nan 8.270 nan 0.000 0.478 508 L N 5.058 126.183 121.223 -0.164 0.000 2.667 508 L HA 0.067 4.407 4.340 -0.000 0.000 0.278 508 L C 1.151 177.988 176.870 -0.056 0.000 1.217 508 L CA 2.326 57.098 54.840 -0.113 0.000 0.935 508 L CB 0.107 42.115 42.059 -0.085 0.000 1.193 508 L HN 0.928 nan 8.230 nan 0.000 0.493 509 G N 1.785 110.568 108.800 -0.028 0.000 2.179 509 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.260 509 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.260 509 G C 0.773 175.692 174.900 0.032 0.000 0.977 509 G CA 0.649 45.755 45.100 0.009 0.000 0.641 509 G HN 0.781 nan 8.290 nan 0.000 0.533 510 K N -1.060 119.350 120.400 0.016 0.000 2.448 510 K HA 0.336 4.655 4.320 -0.000 0.000 0.220 510 K C 2.538 179.181 176.600 0.071 0.000 1.259 510 K CA 1.929 58.243 56.287 0.047 0.000 0.810 510 K CB -0.375 32.127 32.500 0.004 0.000 1.540 510 K HN 0.879 nan 8.250 nan 0.000 0.434 511 T N -0.551 113.955 114.554 -0.080 0.000 3.054 511 T HA 0.098 4.448 4.350 -0.000 0.000 0.255 511 T C 0.707 175.119 174.700 -0.480 0.000 1.035 511 T CA 0.505 62.434 62.100 -0.285 0.000 0.941 511 T CB -0.057 68.684 68.868 -0.212 0.000 1.026 511 T HN 0.499 nan 8.240 nan 0.000 0.533 512 D N 1.208 121.451 120.400 -0.262 0.000 2.319 512 D HA -0.056 4.584 4.640 -0.000 0.000 0.230 512 D C 1.452 177.722 176.300 -0.050 0.000 1.094 512 D CA -0.409 53.484 54.000 -0.178 0.000 0.856 512 D CB -0.761 39.919 40.800 -0.200 0.000 0.915 512 D HN 0.649 nan 8.370 nan 0.000 0.517 513 Y N -0.705 119.629 120.300 0.058 0.000 2.315 513 Y HA 0.044 4.594 4.550 -0.000 0.000 0.288 513 Y C 1.697 177.652 175.900 0.093 0.000 1.154 513 Y CA 0.716 58.856 58.100 0.066 0.000 1.229 513 Y CB -0.665 37.821 38.460 0.044 0.000 0.980 513 Y HN 0.012 nan 8.280 nan 0.000 0.540 514 S N -0.551 114.999 115.700 -0.251 0.000 2.651 514 S HA 0.207 4.677 4.470 -0.000 0.000 0.246 514 S C -0.500 174.131 174.600 0.053 0.000 1.039 514 S CA -0.741 57.441 58.200 -0.031 0.000 1.013 514 S CB -0.962 62.186 63.200 -0.087 0.000 0.861 514 S HN 0.361 nan 8.310 nan 0.000 0.485 515 F N 3.214 123.103 119.950 -0.103 0.000 2.606 515 F HA 0.381 4.908 4.527 0.000 0.000 0.347 515 F C -0.300 175.484 175.800 -0.027 0.000 1.207 515 F CA -1.640 56.317 58.000 -0.071 0.000 1.306 515 F CB -0.622 38.334 39.000 -0.072 0.000 1.657 515 F HN 0.060 nan 8.300 nan 0.000 0.606 516 D N 2.727 123.092 120.400 -0.057 0.000 2.382 516 D HA -0.001 4.639 4.640 -0.000 0.000 0.245 516 D C 1.429 177.621 176.300 -0.180 0.000 1.120 516 D CA -0.018 53.944 54.000 -0.063 0.000 0.890 516 D CB 1.259 42.067 40.800 0.013 0.000 1.201 516 D HN 0.382 nan 8.370 nan 0.000 0.433 517 L N 3.118 124.265 121.223 -0.127 0.000 2.046 517 L HA -0.045 4.295 4.340 -0.000 0.000 0.208 517 L C 0.186 176.995 176.870 -0.102 0.000 1.077 517 L CA 1.541 56.297 54.840 -0.140 0.000 0.747 517 L CB 0.256 42.271 42.059 -0.074 0.000 0.896 517 L HN 0.207 nan 8.230 nan 0.000 0.432 518 V N 1.706 121.594 119.914 -0.044 0.000 2.398 518 V HA 0.492 4.612 4.120 -0.000 0.000 0.286 518 V C 0.122 176.240 176.094 0.040 0.000 1.026 518 V CA -0.673 61.623 62.300 -0.008 0.000 0.868 518 V CB 1.339 33.171 31.823 0.014 0.000 0.982 518 V HN 0.278 nan 8.190 nan 0.000 0.443 519 R N 0.000 120.531 120.500 0.052 0.000 2.786 519 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 519 R CA 0.000 56.209 56.100 0.182 0.000 0.921 519 R CB 0.000 30.256 30.300 -0.073 0.000 0.687 519 R HN 0.000 nan 8.270 nan 0.000 0.535