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 1s3t_1_C DATA FIRST_RESID 1 DATA SEQUENCE MKINRQQYAE SYGPTVGDEV RLADTDLWIE VEKDYTTYGD EVNFGGGKVL DATA SEQUENCE REGMGENGTY TRTENVLDLL LTNALILDYT GIYKADIGVK DGYIVGIGKG DATA SEQUENCE GNPDIMDGVT PNMIVGTATE VIAAEGKIVT AGGIDTHVHF INPDQVDVAL DATA SEQUENCE ANGITTLFGG GTGPAEGSKA TTVTPGPWNI EKMLKSTEGL PINVGILGKG DATA SEQUENCE HGSSIAPIME QIDAGAAGLX IHEDWGATPA SIDRSLTVAD EADVQVAIHS DATA SEQUENCE DTLNEAGFLE DTLRAINGRV IHSFHVEGAG GGHAPDIMAM AGHPNVLPSS DATA SEQUENCE TNPTRPFTVN TIDEHLDMLM VCHHLKQNIP EDVAFADSRI RPETIAAEDI DATA SEQUENCE LHDLGIISMM STDALAMGRA GEMVLRTWQT ADKMKKQRGP LAEEKNGSDN DATA SEQUENCE FRLKRYVSKY TINPAIAQGI AHEVGSIEEG KFADLVLWEP KFFGVKADRV DATA SEQUENCE IKGGIIAYAQ IGDPSASIPT PQPVMGRRMY GTVGDLIHDT NITFMSKSSI DATA SEQUENCE QQGVPAKLGL KRRIGTVKNC RNIGKKDMKW NDVTTDIDIN PETYEVKVDG DATA SEQUENCE EVLTCEPVKE LPMAQRYFLF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.314 176.300 0.024 0.000 1.140 1 M CA 0.000 55.315 55.300 0.025 0.000 0.988 1 M CB 0.000 32.620 32.600 0.033 0.000 1.302 2 K N 4.015 124.426 120.400 0.018 0.000 2.385 2 K HA 0.810 5.130 4.320 -0.000 0.000 0.248 2 K C -1.313 175.302 176.600 0.024 0.000 0.955 2 K CA -0.795 55.498 56.287 0.009 0.000 0.816 2 K CB 2.799 35.293 32.500 -0.009 0.000 1.250 2 K HN 0.563 nan 8.250 nan 0.000 0.434 3 I N 2.256 122.845 120.570 0.032 0.000 2.465 3 I HA 0.182 4.352 4.170 -0.000 0.000 0.291 3 I C -0.077 176.066 176.117 0.042 0.000 1.014 3 I CA -1.140 60.201 61.300 0.068 0.000 1.093 3 I CB 1.632 39.733 38.000 0.167 0.000 1.267 3 I HN 0.668 nan 8.210 nan 0.000 0.431 4 N N 5.771 124.495 118.700 0.039 0.000 2.399 4 N HA 0.166 4.905 4.740 -0.000 0.000 0.250 4 N C 0.516 176.058 175.510 0.054 0.000 1.272 4 N CA -0.098 52.966 53.050 0.023 0.000 0.928 4 N CB 0.895 39.390 38.487 0.013 0.000 1.158 4 N HN 0.507 nan 8.380 nan 0.000 0.463 5 R N -0.564 119.954 120.500 0.030 0.000 2.115 5 R HA -0.139 4.201 4.340 -0.000 0.000 0.230 5 R C 1.966 178.326 176.300 0.100 0.000 1.111 5 R CA 1.153 57.286 56.100 0.055 0.000 0.976 5 R CB -0.300 30.003 30.300 0.004 0.000 0.870 5 R HN 0.717 nan 8.270 nan 0.000 0.445 6 Q N 0.306 120.142 119.800 0.061 0.000 2.061 6 Q HA -0.233 4.106 4.340 -0.000 0.000 0.204 6 Q C 2.285 178.316 176.000 0.052 0.000 0.984 6 Q CA 2.246 58.080 55.803 0.052 0.000 0.846 6 Q CB -0.279 28.476 28.738 0.028 0.000 0.902 6 Q HN 0.591 nan 8.270 nan 0.000 0.421 7 Q N -1.482 118.349 119.800 0.050 0.000 2.123 7 Q HA -0.130 4.209 4.340 -0.000 0.000 0.199 7 Q C 1.880 177.892 176.000 0.020 0.000 0.966 7 Q CA 1.655 57.468 55.803 0.017 0.000 0.845 7 Q CB -1.009 27.739 28.738 0.016 0.000 0.907 7 Q HN 0.918 nan 8.270 nan 0.000 0.439 8 Y N 0.889 121.197 120.300 0.014 0.000 2.145 8 Y HA -0.053 4.496 4.550 -0.000 0.000 0.286 8 Y C 2.532 178.482 175.900 0.083 0.000 1.145 8 Y CA 2.127 60.285 58.100 0.098 0.000 1.148 8 Y CB -0.818 37.700 38.460 0.097 0.000 0.981 8 Y HN 0.405 nan 8.280 nan 0.000 0.507 9 A N 0.237 123.208 122.820 0.252 0.000 1.933 9 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 9 A C 2.137 179.729 177.584 0.014 0.000 1.175 9 A CA 2.192 54.331 52.037 0.171 0.000 0.628 9 A CB -1.422 17.670 19.000 0.154 0.000 0.814 9 A HN 0.595 nan 8.150 nan 0.000 0.444 10 E N -0.323 119.853 120.200 -0.040 0.000 2.110 10 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 10 E C 2.164 178.645 176.600 -0.200 0.000 0.988 10 E CA 1.785 58.131 56.400 -0.090 0.000 0.804 10 E CB -0.964 28.689 29.700 -0.077 0.000 0.745 10 E HN 0.640 nan 8.360 nan 0.000 0.458 11 S N -0.743 114.720 115.700 -0.394 0.000 2.362 11 S HA 0.043 4.513 4.470 -0.000 0.000 0.221 11 S C 1.255 175.404 174.600 -0.752 0.000 1.032 11 S CA 1.193 58.946 58.200 -0.744 0.000 0.973 11 S CB -0.176 62.206 63.200 -1.364 0.000 0.849 11 S HN 0.703 nan 8.310 nan 0.000 0.465 12 Y N 0.674 120.823 120.300 -0.253 0.000 2.588 12 Y HA 0.476 5.026 4.550 -0.000 0.000 0.247 12 Y C 1.097 176.969 175.900 -0.047 0.000 1.157 12 Y CA -0.322 57.654 58.100 -0.206 0.000 1.215 12 Y CB 0.009 38.199 38.460 -0.448 0.000 1.245 12 Y HN 0.286 nan 8.280 nan 0.000 0.534 13 G N 1.609 110.459 108.800 0.082 0.000 2.781 13 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.683 13 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.683 13 G C -2.867 172.173 174.900 0.234 0.000 1.390 13 G CA -1.120 44.058 45.100 0.131 0.000 0.850 13 G HN -0.013 nan 8.290 nan 0.000 0.557 14 P HA 0.423 nan 4.420 nan 0.000 0.270 14 P C 0.214 177.675 177.300 0.270 0.000 1.223 14 P CA 0.505 63.739 63.100 0.223 0.000 0.785 14 P CB 1.543 33.325 31.700 0.136 0.000 0.923 15 T N -0.566 114.124 114.554 0.227 0.000 2.693 15 T HA 0.313 4.663 4.350 -0.000 0.000 0.278 15 T C -0.536 174.231 174.700 0.112 0.000 0.994 15 T CA -0.754 61.459 62.100 0.189 0.000 1.033 15 T CB 0.561 69.533 68.868 0.173 0.000 1.342 15 T HN 0.086 nan 8.240 nan 0.000 0.538 16 V N 2.110 122.086 119.914 0.104 0.000 2.584 16 V HA 0.361 4.481 4.120 -0.000 0.000 0.303 16 V C 1.944 178.066 176.094 0.046 0.000 1.035 16 V CA 1.481 63.825 62.300 0.072 0.000 1.172 16 V CB -0.149 31.708 31.823 0.058 0.000 0.896 16 V HN 1.353 nan 8.190 nan 0.000 0.486 17 G N 3.582 112.409 108.800 0.045 0.000 2.268 17 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.240 17 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.240 17 G C -0.012 174.907 174.900 0.032 0.000 1.010 17 G CA 0.098 45.215 45.100 0.029 0.000 0.618 17 G HN 0.693 nan 8.290 nan 0.000 0.516 18 D N 1.774 122.203 120.400 0.049 0.000 2.399 18 D HA 0.488 5.128 4.640 -0.000 0.000 0.241 18 D C 0.684 177.033 176.300 0.081 0.000 1.133 18 D CA 0.503 54.541 54.000 0.062 0.000 0.890 18 D CB 0.773 41.624 40.800 0.085 0.000 1.201 18 D HN 0.602 nan 8.370 nan 0.000 0.432 19 E N -0.113 120.153 120.200 0.110 0.000 2.263 19 E HA 0.615 4.965 4.350 -0.000 0.000 0.264 19 E C -0.947 175.821 176.600 0.279 0.000 0.923 19 E CA -1.036 55.483 56.400 0.199 0.000 0.802 19 E CB 2.275 32.107 29.700 0.220 0.000 1.228 19 E HN 0.051 nan 8.360 nan 0.000 0.417 20 V N 1.698 121.752 119.914 0.232 0.000 2.686 20 V HA 0.342 4.461 4.120 -0.000 0.000 0.306 20 V C -0.303 175.614 176.094 -0.296 0.000 1.065 20 V CA -0.919 61.391 62.300 0.017 0.000 0.894 20 V CB 1.828 33.597 31.823 -0.089 0.000 1.004 20 V HN 0.580 nan 8.190 nan 0.000 0.424 21 R N 3.875 123.943 120.500 -0.720 0.000 2.390 21 R HA 0.488 4.828 4.340 -0.000 0.000 0.291 21 R C -0.896 175.003 176.300 -0.667 0.000 1.070 21 R CA -0.539 54.855 56.100 -1.178 0.000 1.014 21 R CB 0.626 30.106 30.300 -1.367 0.000 1.007 21 R HN 0.716 nan 8.270 nan 0.000 0.466 22 L N 6.129 126.965 121.223 -0.643 0.000 2.342 22 L HA 0.213 4.553 4.340 -0.000 0.000 0.285 22 L C 1.215 177.898 176.870 -0.311 0.000 1.095 22 L CA 0.211 54.725 54.840 -0.542 0.000 0.843 22 L CB 0.482 42.120 42.059 -0.703 0.000 1.201 22 L HN 1.079 nan 8.230 nan 0.000 0.445 23 A N 4.083 126.787 122.820 -0.194 0.000 5.481 23 A HA -0.325 3.995 4.320 -0.000 0.000 0.318 23 A C 0.925 178.463 177.584 -0.076 0.000 1.837 23 A CA 1.480 53.468 52.037 -0.083 0.000 0.717 23 A CB -1.082 17.858 19.000 -0.099 0.000 1.349 23 A HN 0.972 nan 8.150 nan 0.000 0.388 24 D N 0.144 120.568 120.400 0.040 0.000 2.427 24 D HA 0.302 4.942 4.640 -0.000 0.000 0.224 24 D C 0.777 177.065 176.300 -0.021 0.000 1.157 24 D CA 1.036 55.043 54.000 0.012 0.000 0.828 24 D CB -1.210 39.644 40.800 0.090 0.000 0.974 24 D HN 1.093 nan 8.370 nan 0.000 0.498 25 T N -4.009 110.501 114.554 -0.073 0.000 2.754 25 T HA 0.383 4.733 4.350 -0.000 0.000 0.286 25 T C 0.934 175.562 174.700 -0.119 0.000 0.997 25 T CA 0.157 62.215 62.100 -0.070 0.000 0.982 25 T CB 0.746 69.568 68.868 -0.076 0.000 1.027 25 T HN 0.087 nan 8.240 nan 0.000 0.529 26 D N 0.182 120.556 120.400 -0.043 0.000 2.336 26 D HA 0.417 5.057 4.640 -0.000 0.000 0.228 26 D C 0.599 176.916 176.300 0.029 0.000 1.120 26 D CA -0.225 53.796 54.000 0.034 0.000 0.839 26 D CB -0.507 40.363 40.800 0.117 0.000 0.932 26 D HN 0.576 nan 8.370 nan 0.000 0.509 27 L N -0.108 121.023 121.223 -0.152 0.000 2.292 27 L HA 0.592 4.932 4.340 -0.000 0.000 0.284 27 L C -0.800 175.852 176.870 -0.363 0.000 1.065 27 L CA -0.927 53.844 54.840 -0.116 0.000 0.806 27 L CB 1.233 43.222 42.059 -0.117 0.000 1.175 27 L HN 0.311 nan 8.230 nan 0.000 0.431 28 W N 4.793 126.041 121.300 -0.086 0.000 2.532 28 W HA 0.601 5.261 4.660 -0.000 0.000 0.321 28 W C -0.167 176.288 176.519 -0.107 0.000 1.037 28 W CA -0.531 56.754 57.345 -0.100 0.000 1.220 28 W CB 1.332 30.755 29.460 -0.061 0.000 1.361 28 W HN 0.235 nan 8.180 nan 0.000 0.468 29 I N -0.358 120.224 120.570 0.020 0.000 2.498 29 I HA 0.652 4.822 4.170 -0.000 0.000 0.301 29 I C -0.395 175.754 176.117 0.053 0.000 0.984 29 I CA -1.008 60.284 61.300 -0.014 0.000 1.204 29 I CB 2.033 39.939 38.000 -0.157 0.000 1.362 29 I HN 0.426 nan 8.210 nan 0.000 0.471 30 E N 4.290 124.522 120.200 0.053 0.000 2.187 30 E HA 0.439 4.789 4.350 -0.000 0.000 0.268 30 E C -1.290 175.347 176.600 0.061 0.000 0.896 30 E CA -0.958 55.481 56.400 0.065 0.000 0.766 30 E CB 2.234 31.971 29.700 0.062 0.000 1.142 30 E HN 0.618 nan 8.360 nan 0.000 0.408 31 V N 4.963 124.919 119.914 0.070 0.000 2.485 31 V HA -0.036 4.083 4.120 -0.000 0.000 0.287 31 V C 0.889 177.040 176.094 0.095 0.000 1.022 31 V CA 0.713 63.067 62.300 0.091 0.000 1.067 31 V CB 0.732 32.617 31.823 0.102 0.000 0.967 31 V HN 0.860 nan 8.190 nan 0.000 0.479 32 E N 3.659 123.932 120.200 0.122 0.000 2.216 32 E HA 0.070 4.420 4.350 -0.000 0.000 0.192 32 E C 0.509 177.149 176.600 0.066 0.000 0.973 32 E CA 0.493 56.951 56.400 0.097 0.000 0.851 32 E CB 0.379 30.147 29.700 0.114 0.000 0.804 32 E HN 0.837 nan 8.360 nan 0.000 0.477 33 K N -0.320 120.137 120.400 0.096 0.000 2.578 33 K HA 0.400 4.720 4.320 -0.000 0.000 0.287 33 K C -1.803 174.843 176.600 0.076 0.000 1.010 33 K CA -0.919 55.373 56.287 0.009 0.000 0.889 33 K CB 1.842 34.262 32.500 -0.133 0.000 1.514 33 K HN -0.255 nan 8.250 nan 0.000 0.424 34 D N 0.381 120.761 120.400 -0.034 0.000 2.855 34 D HA 0.259 4.899 4.640 -0.000 0.000 0.241 34 D C -0.907 175.345 176.300 -0.080 0.000 1.277 34 D CA -0.471 53.559 54.000 0.049 0.000 0.918 34 D CB 1.107 41.940 40.800 0.055 0.000 1.462 34 D HN 0.608 nan 8.370 nan 0.000 0.559 35 Y N 1.346 121.672 120.300 0.043 0.000 2.529 35 Y HA 0.085 4.635 4.550 -0.000 0.000 0.290 35 Y C 1.660 177.537 175.900 -0.039 0.000 1.177 35 Y CA 0.301 58.403 58.100 0.004 0.000 1.305 35 Y CB 0.453 38.945 38.460 0.052 0.000 1.047 35 Y HN 0.248 nan 8.280 nan 0.000 0.522 36 T N -0.170 114.407 114.554 0.039 0.000 2.754 36 T HA 0.175 4.525 4.350 -0.000 0.000 0.286 36 T C 0.202 174.803 174.700 -0.165 0.000 0.997 36 T CA -0.124 61.959 62.100 -0.028 0.000 0.982 36 T CB 0.565 69.435 68.868 0.004 0.000 1.027 36 T HN -0.028 nan 8.240 nan 0.000 0.529 37 T N 3.332 117.816 114.554 -0.118 0.000 2.772 37 T HA 0.369 4.719 4.350 -0.000 0.000 0.288 37 T C -1.057 173.600 174.700 -0.071 0.000 0.994 37 T CA -0.267 61.748 62.100 -0.141 0.000 0.951 37 T CB -0.005 68.834 68.868 -0.048 0.000 0.933 37 T HN 0.424 nan 8.240 nan 0.000 0.447 38 Y N 2.141 122.441 120.300 0.001 0.000 2.729 38 Y HA 0.334 4.884 4.550 -0.000 0.000 0.331 38 Y C 1.659 177.561 175.900 0.004 0.000 1.208 38 Y CA 0.955 59.060 58.100 0.008 0.000 1.521 38 Y CB -0.180 38.273 38.460 -0.013 0.000 1.233 38 Y HN 1.004 nan 8.280 nan 0.000 0.539 39 G N 2.457 111.348 108.800 0.152 0.000 2.259 39 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 39 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 39 G C 0.507 175.422 174.900 0.026 0.000 1.001 39 G CA 0.127 45.270 45.100 0.073 0.000 0.627 39 G HN 0.537 nan 8.290 nan 0.000 0.501 40 D N 1.486 121.896 120.400 0.016 0.000 2.593 40 D HA 0.362 5.002 4.640 -0.000 0.000 0.241 40 D C 0.444 176.740 176.300 -0.007 0.000 1.257 40 D CA -0.111 53.895 54.000 0.010 0.000 0.828 40 D CB 0.394 41.205 40.800 0.019 0.000 1.049 40 D HN 0.506 nan 8.370 nan 0.000 0.490 41 E N 0.368 120.528 120.200 -0.065 0.000 2.414 41 E HA 0.241 4.591 4.350 -0.000 0.000 0.263 41 E C 0.520 177.124 176.600 0.005 0.000 1.000 41 E CA -0.027 56.324 56.400 -0.081 0.000 0.914 41 E CB 0.729 30.223 29.700 -0.345 0.000 0.948 41 E HN 0.153 nan 8.360 nan 0.000 0.444 42 V N 2.825 122.768 119.914 0.049 0.000 2.686 42 V HA 0.423 4.543 4.120 -0.000 0.000 0.295 42 V C 0.043 176.209 176.094 0.120 0.000 1.055 42 V CA -0.251 62.099 62.300 0.083 0.000 1.050 42 V CB 0.446 32.319 31.823 0.083 0.000 0.984 42 V HN 0.879 nan 8.190 nan 0.000 0.482 43 N N 2.897 121.679 118.700 0.136 0.000 2.961 43 N HA 0.721 5.461 4.740 -0.000 0.000 0.245 43 N C -1.255 174.366 175.510 0.185 0.000 1.404 43 N CA -0.615 52.532 53.050 0.163 0.000 0.880 43 N CB 1.774 40.355 38.487 0.157 0.000 1.461 43 N HN 0.713 nan 8.380 nan 0.000 0.510 44 F N -0.187 119.787 119.950 0.040 0.000 2.551 44 F HA 0.905 5.432 4.527 -0.000 0.000 0.316 44 F C 0.256 176.069 175.800 0.021 0.000 1.089 44 F CA 0.470 58.487 58.000 0.028 0.000 0.915 44 F CB 1.623 40.637 39.000 0.023 0.000 1.186 44 F HN 1.025 nan 8.300 nan 0.000 0.456 45 G N 2.275 110.392 108.800 -1.137 0.000 2.362 45 G HA2 0.358 4.317 3.960 -0.000 0.000 0.288 45 G HA3 0.358 4.317 3.960 -0.000 0.000 0.288 45 G C -0.836 173.765 174.900 -0.498 0.000 1.305 45 G CA -0.444 44.208 45.100 -0.746 0.000 0.910 45 G HN 1.115 nan 8.290 nan 0.000 0.518 46 G N -0.777 107.855 108.800 -0.281 0.000 2.334 46 G HA2 0.556 4.516 3.960 -0.000 0.000 0.261 46 G HA3 0.556 4.516 3.960 -0.000 0.000 0.261 46 G C 1.426 176.248 174.900 -0.131 0.000 1.257 46 G CA 1.734 46.729 45.100 -0.176 0.000 0.935 46 G HN 2.448 nan 8.290 nan 0.000 0.480 47 G N 1.507 110.242 108.800 -0.107 0.000 2.155 47 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.257 47 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.257 47 G C 0.722 175.586 174.900 -0.059 0.000 0.983 47 G CA 0.818 45.878 45.100 -0.067 0.000 0.676 47 G HN 0.733 nan 8.290 nan 0.000 0.528 48 K N -0.720 119.624 120.400 -0.093 0.000 2.520 48 K HA 0.611 4.931 4.320 -0.000 0.000 0.256 48 K C 1.661 178.245 176.600 -0.026 0.000 1.033 48 K CA -0.147 56.105 56.287 -0.059 0.000 1.007 48 K CB 0.555 32.996 32.500 -0.097 0.000 1.330 48 K HN 0.004 nan 8.250 nan 0.000 0.507 49 V N 0.591 120.515 119.914 0.016 0.000 2.535 49 V HA -0.062 4.058 4.120 -0.000 0.000 0.246 49 V C 1.371 177.496 176.094 0.052 0.000 1.045 49 V CA 1.066 63.389 62.300 0.039 0.000 1.058 49 V CB -0.180 31.678 31.823 0.058 0.000 0.689 49 V HN 0.388 nan 8.190 nan 0.000 0.461 50 L N 2.407 123.679 121.223 0.083 0.000 2.437 50 L HA 0.271 4.611 4.340 -0.000 0.000 0.243 50 L C 0.283 177.225 176.870 0.121 0.000 1.346 50 L CA 0.384 55.302 54.840 0.131 0.000 1.233 50 L CB -0.623 41.570 42.059 0.223 0.000 1.436 50 L HN 0.258 nan 8.230 nan 0.000 0.416 51 R N 0.627 121.165 120.500 0.065 0.000 2.750 51 R HA 0.283 4.623 4.340 -0.000 0.000 0.281 51 R C -0.224 176.101 176.300 0.041 0.000 0.972 51 R CA -0.980 55.148 56.100 0.046 0.000 0.912 51 R CB 2.261 32.565 30.300 0.006 0.000 1.187 51 R HN 0.168 nan 8.270 nan 0.000 0.464 52 E N 0.993 121.215 120.200 0.037 0.000 2.465 52 E HA -0.062 4.288 4.350 -0.000 0.000 0.260 52 E C 0.570 177.179 176.600 0.014 0.000 0.980 52 E CA 1.633 58.048 56.400 0.025 0.000 0.927 52 E CB 0.658 30.369 29.700 0.020 0.000 0.934 52 E HN 0.804 nan 8.360 nan 0.000 0.459 53 G N 3.581 112.387 108.800 0.009 0.000 2.241 53 G HA2 -0.298 3.661 3.960 -0.000 0.000 0.244 53 G HA3 -0.298 3.661 3.960 -0.000 0.000 0.244 53 G C 0.676 175.583 174.900 0.011 0.000 0.998 53 G CA 0.745 45.846 45.100 0.003 0.000 0.621 53 G HN 0.526 nan 8.290 nan 0.000 0.519 54 M N -1.040 118.572 119.600 0.020 0.000 2.315 54 M HA 0.522 5.002 4.480 -0.000 0.000 0.212 54 M C 2.379 178.700 176.300 0.036 0.000 1.408 54 M CA 0.582 55.897 55.300 0.025 0.000 1.875 54 M CB -0.444 32.169 32.600 0.022 0.000 1.110 54 M HN 0.120 nan 8.290 nan 0.000 0.905 55 G N 0.256 109.082 108.800 0.044 0.000 2.509 55 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.218 55 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.218 55 G C 0.360 175.299 174.900 0.065 0.000 1.124 55 G CA 0.298 45.432 45.100 0.056 0.000 0.776 55 G HN 0.564 nan 8.290 nan 0.000 0.547 56 E N 0.999 121.238 120.200 0.064 0.000 2.134 56 E HA 0.133 4.483 4.350 -0.000 0.000 0.278 56 E C -0.430 176.200 176.600 0.051 0.000 0.959 56 E CA -0.819 55.621 56.400 0.067 0.000 0.783 56 E CB 0.348 30.093 29.700 0.076 0.000 1.095 56 E HN 0.115 nan 8.360 nan 0.000 0.399 57 N N 3.170 121.907 118.700 0.060 0.000 2.468 57 N HA 0.010 4.750 4.740 -0.000 0.000 0.265 57 N C 0.268 175.786 175.510 0.013 0.000 1.199 57 N CA 0.395 53.470 53.050 0.042 0.000 0.928 57 N CB 1.258 39.811 38.487 0.109 0.000 1.059 57 N HN 0.706 nan 8.380 nan 0.000 0.467 58 G N 1.989 110.769 108.800 -0.033 0.000 3.233 58 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.234 58 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.234 58 G C 0.964 175.813 174.900 -0.086 0.000 1.137 58 G CA 0.073 45.150 45.100 -0.038 0.000 0.763 58 G HN 0.581 nan 8.290 nan 0.000 0.549 59 T N -0.118 114.324 114.554 -0.187 0.000 3.004 59 T HA 0.162 4.512 4.350 -0.000 0.000 0.243 59 T C 0.243 174.788 174.700 -0.258 0.000 1.020 59 T CA 0.383 62.291 62.100 -0.320 0.000 1.145 59 T CB 0.018 68.508 68.868 -0.629 0.000 0.876 59 T HN 0.119 nan 8.240 nan 0.000 0.449 60 Y N 2.990 123.298 120.300 0.013 0.000 2.304 60 Y HA 0.387 4.937 4.550 -0.000 0.000 0.328 60 Y C 1.338 177.244 175.900 0.011 0.000 1.123 60 Y CA -1.585 56.522 58.100 0.012 0.000 1.218 60 Y CB 0.176 38.644 38.460 0.012 0.000 1.207 60 Y HN 0.091 nan 8.280 nan 0.000 0.495 61 T N -0.767 113.902 114.554 0.193 0.000 2.766 61 T HA 0.170 4.520 4.350 -0.000 0.000 0.295 61 T C 1.413 176.169 174.700 0.093 0.000 1.024 61 T CA -0.654 61.510 62.100 0.106 0.000 1.018 61 T CB 0.846 69.761 68.868 0.078 0.000 1.002 61 T HN 0.796 nan 8.240 nan 0.000 0.532 62 R N 0.098 120.633 120.500 0.059 0.000 2.091 62 R HA -0.138 4.202 4.340 -0.000 0.000 0.238 62 R C 2.387 178.705 176.300 0.030 0.000 1.136 62 R CA 2.126 58.252 56.100 0.043 0.000 0.959 62 R CB -1.174 29.145 30.300 0.031 0.000 0.856 62 R HN 0.924 nan 8.270 nan 0.000 0.437 63 T N -1.866 112.704 114.554 0.026 0.000 3.007 63 T HA -0.056 4.294 4.350 -0.000 0.000 0.270 63 T C 0.541 175.234 174.700 -0.012 0.000 1.107 63 T CA 0.824 62.929 62.100 0.009 0.000 1.118 63 T CB -0.085 68.789 68.868 0.010 0.000 0.889 63 T HN 0.364 nan 8.240 nan 0.000 0.506 64 E N 2.249 122.441 120.200 -0.013 0.000 2.122 64 E HA 0.251 4.601 4.350 -0.000 0.000 0.288 64 E C -0.138 176.361 176.600 -0.169 0.000 1.260 64 E CA -0.478 55.861 56.400 -0.102 0.000 1.344 64 E CB -0.236 29.404 29.700 -0.101 0.000 1.337 64 E HN 0.270 nan 8.360 nan 0.000 0.484 65 N N -0.251 118.385 118.700 -0.107 0.000 2.850 65 N HA -0.156 4.584 4.740 -0.000 0.000 0.249 65 N C -0.624 174.860 175.510 -0.044 0.000 1.060 65 N CA 0.532 53.525 53.050 -0.095 0.000 0.825 65 N CB -0.999 37.391 38.487 -0.162 0.000 1.132 65 N HN 0.149 nan 8.380 nan 0.000 0.564 66 V N 1.577 121.486 119.914 -0.009 0.000 2.539 66 V HA 0.403 4.523 4.120 -0.000 0.000 0.292 66 V C 0.979 177.085 176.094 0.021 0.000 1.045 66 V CA -0.583 61.734 62.300 0.028 0.000 0.945 66 V CB 1.891 33.753 31.823 0.064 0.000 0.993 66 V HN 0.062 nan 8.190 nan 0.000 0.464 67 L N 2.913 124.150 121.223 0.023 0.000 2.375 67 L HA 0.388 4.728 4.340 -0.000 0.000 0.271 67 L C 1.014 177.891 176.870 0.012 0.000 1.107 67 L CA -0.512 54.338 54.840 0.016 0.000 0.806 67 L CB 0.753 42.820 42.059 0.013 0.000 1.146 67 L HN 0.601 nan 8.230 nan 0.000 0.447 68 D N 1.049 121.454 120.400 0.008 0.000 2.183 68 D HA 0.059 4.699 4.640 -0.000 0.000 0.203 68 D C -0.030 176.259 176.300 -0.019 0.000 0.969 68 D CA 1.275 55.273 54.000 -0.003 0.000 0.842 68 D CB 0.389 41.190 40.800 0.000 0.000 0.957 68 D HN 0.120 nan 8.370 nan 0.000 0.484 69 L N 0.159 121.371 121.223 -0.019 0.000 2.526 69 L HA 0.418 4.758 4.340 -0.000 0.000 0.263 69 L C -2.128 174.730 176.870 -0.021 0.000 0.943 69 L CA -0.885 53.935 54.840 -0.032 0.000 0.859 69 L CB 2.100 44.134 42.059 -0.042 0.000 1.313 69 L HN -0.237 nan 8.230 nan 0.000 0.406 70 L N 5.054 126.263 121.223 -0.023 0.000 2.349 70 L HA 0.647 4.987 4.340 -0.000 0.000 0.278 70 L C -1.476 175.389 176.870 -0.008 0.000 0.996 70 L CA -0.254 54.583 54.840 -0.006 0.000 0.825 70 L CB 1.518 43.583 42.059 0.010 0.000 1.243 70 L HN 0.615 nan 8.230 nan 0.000 0.412 71 L N 4.617 125.840 121.223 0.000 0.000 2.283 71 L HA 0.453 4.793 4.340 -0.000 0.000 0.287 71 L C 0.522 177.410 176.870 0.030 0.000 1.073 71 L CA 0.086 54.931 54.840 0.009 0.000 0.822 71 L CB 1.131 43.194 42.059 0.007 0.000 1.186 71 L HN 0.745 nan 8.230 nan 0.000 0.436 72 T N 0.000 114.582 114.554 0.046 0.000 2.856 72 T HA 0.320 4.669 4.350 -0.000 0.000 0.292 72 T C 0.512 175.261 174.700 0.082 0.000 0.980 72 T CA -0.730 61.412 62.100 0.070 0.000 1.091 72 T CB 0.671 69.594 68.868 0.091 0.000 0.936 72 T HN 0.598 nan 8.240 nan 0.000 0.503 73 N N -0.227 118.529 118.700 0.095 0.000 2.758 73 N HA -0.145 4.595 4.740 -0.000 0.000 0.248 73 N C 0.025 175.591 175.510 0.094 0.000 1.076 73 N CA 0.788 53.908 53.050 0.117 0.000 0.696 73 N CB -1.703 36.871 38.487 0.145 0.000 0.979 73 N HN 1.137 nan 8.380 nan 0.000 0.550 74 A N 0.274 123.132 122.820 0.065 0.000 2.401 74 A HA 0.466 4.786 4.320 -0.000 0.000 0.259 74 A C 0.556 178.146 177.584 0.010 0.000 1.103 74 A CA -0.406 51.653 52.037 0.037 0.000 0.789 74 A CB 0.583 19.591 19.000 0.013 0.000 1.035 74 A HN 0.318 nan 8.150 nan 0.000 0.491 75 L N 4.510 125.739 121.223 0.010 0.000 2.282 75 L HA 0.440 4.779 4.340 -0.000 0.000 0.287 75 L C -0.416 176.401 176.870 -0.088 0.000 1.075 75 L CA -0.105 54.715 54.840 -0.033 0.000 0.839 75 L CB -0.296 41.759 42.059 -0.006 0.000 1.219 75 L HN 0.549 nan 8.230 nan 0.000 0.434 76 I N 5.730 126.157 120.570 -0.237 0.000 2.416 76 I HA 0.187 4.357 4.170 -0.000 0.000 0.288 76 I C -0.226 175.776 176.117 -0.192 0.000 1.051 76 I CA -0.030 61.102 61.300 -0.280 0.000 1.375 76 I CB 1.005 38.618 38.000 -0.644 0.000 1.407 76 I HN 0.476 nan 8.210 nan 0.000 0.516 77 L N 6.914 128.108 121.223 -0.048 0.000 2.342 77 L HA 0.544 4.884 4.340 -0.000 0.000 0.276 77 L C -1.499 175.425 176.870 0.090 0.000 0.997 77 L CA -0.077 54.765 54.840 0.004 0.000 0.838 77 L CB 1.324 43.368 42.059 -0.025 0.000 1.224 77 L HN 0.661 nan 8.230 nan 0.000 0.416 78 D N 1.060 121.515 120.400 0.091 0.000 2.599 78 D HA 0.149 4.788 4.640 -0.000 0.000 0.252 78 D C 0.274 176.661 176.300 0.145 0.000 1.232 78 D CA -0.413 53.665 54.000 0.130 0.000 0.819 78 D CB 1.117 41.976 40.800 0.099 0.000 1.401 78 D HN 0.413 nan 8.370 nan 0.000 0.429 79 Y N -0.116 120.285 120.300 0.170 0.000 2.333 79 Y HA -0.038 4.512 4.550 -0.000 0.000 0.290 79 Y C 1.756 177.908 175.900 0.420 0.000 1.144 79 Y CA 1.770 60.052 58.100 0.304 0.000 1.228 79 Y CB -1.055 37.607 38.460 0.338 0.000 0.985 79 Y HN 0.299 nan 8.280 nan 0.000 0.542 80 T N -2.397 111.843 114.554 -0.524 0.000 3.118 80 T HA 0.480 4.830 4.350 -0.000 0.000 0.260 80 T C 0.901 175.633 174.700 0.053 0.000 1.139 80 T CA 0.392 62.289 62.100 -0.338 0.000 1.085 80 T CB -0.569 68.069 68.868 -0.383 0.000 0.934 80 T HN 0.908 nan 8.240 nan 0.000 0.518 81 G N 0.223 109.123 108.800 0.166 0.000 2.361 81 G HA2 0.352 4.312 3.960 -0.000 0.000 0.305 81 G HA3 0.352 4.312 3.960 -0.000 0.000 0.305 81 G C -1.853 173.230 174.900 0.305 0.000 1.367 81 G CA -1.097 44.163 45.100 0.265 0.000 0.951 81 G HN 0.335 nan 8.290 nan 0.000 0.615 82 I N 2.023 122.760 120.570 0.279 0.000 2.420 82 I HA 0.572 4.741 4.170 -0.000 0.000 0.282 82 I C -0.382 175.879 176.117 0.240 0.000 1.019 82 I CA -0.710 60.676 61.300 0.143 0.000 1.130 82 I CB 1.108 39.139 38.000 0.052 0.000 1.262 82 I HN 0.724 nan 8.210 nan 0.000 0.454 83 Y N 3.764 124.107 120.300 0.073 0.000 2.689 83 Y HA 0.673 5.223 4.550 -0.000 0.000 0.333 83 Y C -1.354 174.623 175.900 0.129 0.000 1.208 83 Y CA -1.704 56.459 58.100 0.105 0.000 1.055 83 Y CB 0.938 39.485 38.460 0.146 0.000 1.304 83 Y HN 0.214 nan 8.280 nan 0.000 0.455 84 K N 1.705 122.270 120.400 0.274 0.000 2.213 84 K HA 0.882 5.202 4.320 -0.000 0.000 0.270 84 K C -1.233 175.573 176.600 0.342 0.000 1.002 84 K CA -0.011 56.398 56.287 0.205 0.000 0.868 84 K CB 1.113 33.740 32.500 0.211 0.000 1.093 84 K HN 1.104 nan 8.250 nan 0.000 0.454 85 A N 3.332 126.270 122.820 0.196 0.000 2.612 85 A HA 0.436 4.756 4.320 -0.000 0.000 0.293 85 A C -1.605 176.032 177.584 0.089 0.000 1.075 85 A CA -0.974 51.180 52.037 0.195 0.000 0.680 85 A CB 0.852 19.967 19.000 0.192 0.000 1.279 85 A HN 0.676 nan 8.150 nan 0.000 0.411 86 D N 0.476 120.919 120.400 0.071 0.000 2.304 86 D HA 0.534 5.173 4.640 -0.000 0.000 0.247 86 D C -0.432 175.876 176.300 0.013 0.000 1.089 86 D CA 0.589 54.615 54.000 0.043 0.000 0.910 86 D CB 1.121 41.948 40.800 0.045 0.000 1.199 86 D HN 0.410 nan 8.370 nan 0.000 0.426 87 I N 0.650 121.227 120.570 0.011 0.000 2.436 87 I HA 0.377 4.547 4.170 -0.000 0.000 0.289 87 I C 0.631 176.749 176.117 0.003 0.000 1.010 87 I CA -0.724 60.578 61.300 0.002 0.000 1.098 87 I CB 2.143 40.145 38.000 0.003 0.000 1.266 87 I HN 0.199 nan 8.210 nan 0.000 0.434 88 G N 5.443 114.245 108.800 0.003 0.000 2.372 88 G HA2 0.648 4.608 3.960 -0.000 0.000 0.323 88 G HA3 0.648 4.608 3.960 -0.000 0.000 0.323 88 G C -0.992 173.915 174.900 0.012 0.000 1.152 88 G CA -0.363 44.741 45.100 0.006 0.000 0.906 88 G HN 0.334 nan 8.290 nan 0.000 0.460 89 V N 1.835 121.752 119.914 0.006 0.000 2.735 89 V HA 0.723 4.843 4.120 -0.000 0.000 0.310 89 V C -0.125 175.980 176.094 0.019 0.000 1.061 89 V CA -0.846 61.459 62.300 0.008 0.000 0.913 89 V CB 2.049 33.855 31.823 -0.029 0.000 1.005 89 V HN 0.816 nan 8.190 nan 0.000 0.428 90 K N 2.200 122.629 120.400 0.049 0.000 2.557 90 K HA 0.324 4.644 4.320 -0.000 0.000 0.257 90 K C -0.936 175.726 176.600 0.103 0.000 0.933 90 K CA -0.519 55.801 56.287 0.055 0.000 0.820 90 K CB 1.628 34.155 32.500 0.045 0.000 1.330 90 K HN 0.756 nan 8.250 nan 0.000 0.432 91 D N 2.550 123.006 120.400 0.094 0.000 2.811 91 D HA -0.204 4.435 4.640 -0.000 0.000 0.231 91 D C 0.597 177.045 176.300 0.246 0.000 1.157 91 D CA 1.842 55.928 54.000 0.144 0.000 0.716 91 D CB -1.004 39.876 40.800 0.133 0.000 1.077 91 D HN 1.101 nan 8.370 nan 0.000 0.428 92 G N -1.274 107.597 108.800 0.118 0.000 2.184 92 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.264 92 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.264 92 G C -0.009 174.768 174.900 -0.205 0.000 0.975 92 G CA 0.680 45.753 45.100 -0.045 0.000 0.642 92 G HN 0.456 nan 8.290 nan 0.000 0.536 93 Y N -0.407 119.877 120.300 -0.027 0.000 2.509 93 Y HA 0.662 5.212 4.550 -0.000 0.000 0.341 93 Y C 1.033 176.932 175.900 -0.002 0.000 1.038 93 Y CA -1.341 56.772 58.100 0.022 0.000 1.089 93 Y CB 1.131 39.655 38.460 0.106 0.000 1.241 93 Y HN 0.093 nan 8.280 nan 0.000 0.468 94 I N 3.347 123.999 120.570 0.137 0.000 2.581 94 I HA -0.011 4.159 4.170 -0.000 0.000 0.285 94 I C 0.968 177.160 176.117 0.125 0.000 1.129 94 I CA 0.207 61.564 61.300 0.096 0.000 1.397 94 I CB 0.293 38.341 38.000 0.080 0.000 1.399 94 I HN 0.614 nan 8.210 nan 0.000 0.537 95 V N 2.882 122.846 119.914 0.083 0.000 3.621 95 V HA 0.511 4.631 4.120 -0.000 0.000 0.263 95 V C 0.732 176.846 176.094 0.034 0.000 1.272 95 V CA 0.418 62.757 62.300 0.064 0.000 1.080 95 V CB 0.197 32.052 31.823 0.052 0.000 0.816 95 V HN 0.737 nan 8.190 nan 0.000 0.451 96 G N 0.329 109.141 108.800 0.021 0.000 2.753 96 G HA2 0.700 4.660 3.960 -0.000 0.000 0.295 96 G HA3 0.700 4.660 3.960 -0.000 0.000 0.295 96 G C -1.545 173.340 174.900 -0.024 0.000 1.437 96 G CA -0.604 44.492 45.100 -0.006 0.000 1.094 96 G HN 0.186 nan 8.290 nan 0.000 0.540 97 I N 2.346 122.875 120.570 -0.068 0.000 2.410 97 I HA 0.742 4.911 4.170 -0.000 0.000 0.286 97 I C 0.762 176.704 176.117 -0.291 0.000 1.009 97 I CA -0.058 61.170 61.300 -0.120 0.000 1.111 97 I CB 1.858 39.814 38.000 -0.073 0.000 1.262 97 I HN 0.875 nan 8.210 nan 0.000 0.443 98 G N 5.516 114.166 108.800 -0.250 0.000 2.401 98 G HA2 0.115 4.074 3.960 -0.000 0.000 0.068 98 G HA3 0.115 4.074 3.960 -0.000 0.000 0.068 98 G C -1.293 173.600 174.900 -0.011 0.000 0.911 98 G CA -0.367 44.576 45.100 -0.261 0.000 1.242 98 G HN 0.340 nan 8.290 nan 0.000 0.504 99 K N 1.230 121.648 120.400 0.030 0.000 2.613 99 K HA 0.580 4.900 4.320 -0.000 0.000 0.248 99 K C -0.362 176.263 176.600 0.041 0.000 0.959 99 K CA -0.029 56.294 56.287 0.059 0.000 0.855 99 K CB 1.165 33.712 32.500 0.078 0.000 1.143 99 K HN 0.787 nan 8.250 nan 0.000 0.437 100 G N 1.001 109.826 108.800 0.042 0.000 2.462 100 G HA2 0.758 4.718 3.960 -0.000 0.000 0.319 100 G HA3 0.758 4.718 3.960 -0.000 0.000 0.319 100 G C 0.004 174.934 174.900 0.049 0.000 1.171 100 G CA 0.129 45.253 45.100 0.041 0.000 0.920 100 G HN 0.784 nan 8.290 nan 0.000 0.499 101 G N 0.132 108.964 108.800 0.053 0.000 2.384 101 G HA2 0.230 4.190 3.960 -0.000 0.000 0.150 101 G HA3 0.230 4.190 3.960 -0.000 0.000 0.150 101 G C -1.440 173.499 174.900 0.066 0.000 1.269 101 G CA -0.247 44.889 45.100 0.060 0.000 1.094 101 G HN 1.051 nan 8.290 nan 0.000 0.467 102 N N 1.357 120.096 118.700 0.065 0.000 2.461 102 N HA 0.601 5.341 4.740 -0.000 0.000 0.284 102 N C -1.908 173.644 175.510 0.071 0.000 1.049 102 N CA -2.085 51.011 53.050 0.076 0.000 0.889 102 N CB 2.801 41.327 38.487 0.065 0.000 1.365 102 N HN 0.093 nan 8.380 nan 0.000 0.499 103 P HA 0.056 nan 4.420 nan 0.000 0.237 103 P C 0.275 177.617 177.300 0.070 0.000 1.178 103 P CA 0.460 63.604 63.100 0.074 0.000 0.766 103 P CB 0.562 32.309 31.700 0.079 0.000 0.876 104 D N 0.619 121.062 120.400 0.072 0.000 2.133 104 D HA -0.170 4.470 4.640 -0.000 0.000 0.192 104 D C 1.739 178.061 176.300 0.036 0.000 1.001 104 D CA 1.562 55.590 54.000 0.047 0.000 0.844 104 D CB -0.223 40.594 40.800 0.029 0.000 0.944 104 D HN 0.395 nan 8.370 nan 0.000 0.447 105 I N -4.999 115.592 120.570 0.036 0.000 4.557 105 I HA 0.260 4.430 4.170 -0.000 0.000 0.333 105 I C 0.079 176.215 176.117 0.031 0.000 1.332 105 I CA -0.256 61.062 61.300 0.030 0.000 1.240 105 I CB 0.401 38.417 38.000 0.026 0.000 1.312 105 I HN -0.258 nan 8.210 nan 0.000 0.457 106 M N 1.850 121.471 119.600 0.035 0.000 2.383 106 M HA 0.439 4.918 4.480 -0.000 0.000 0.325 106 M C -1.122 175.197 176.300 0.030 0.000 1.092 106 M CA -0.555 54.765 55.300 0.033 0.000 0.961 106 M CB 1.798 34.420 32.600 0.037 0.000 1.672 106 M HN -0.057 nan 8.290 nan 0.000 0.438 107 D N 1.054 121.469 120.400 0.024 0.000 2.339 107 D HA 0.382 5.021 4.640 -0.000 0.000 0.245 107 D C 1.020 177.331 176.300 0.019 0.000 1.115 107 D CA 0.866 54.878 54.000 0.020 0.000 0.917 107 D CB 1.075 41.883 40.800 0.013 0.000 1.192 107 D HN 0.902 nan 8.370 nan 0.000 0.428 108 G N 0.552 109.364 108.800 0.019 0.000 2.179 108 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.257 108 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.257 108 G C 0.187 175.108 174.900 0.035 0.000 1.010 108 G CA 0.159 45.273 45.100 0.023 0.000 0.736 108 G HN 0.442 nan 8.290 nan 0.000 0.513 109 V N 1.702 121.636 119.914 0.034 0.000 2.470 109 V HA 0.314 4.433 4.120 -0.000 0.000 0.276 109 V C 1.314 177.426 176.094 0.031 0.000 1.040 109 V CA 0.327 62.649 62.300 0.037 0.000 1.008 109 V CB 0.961 32.808 31.823 0.040 0.000 0.990 109 V HN 0.381 nan 8.190 nan 0.000 0.477 110 T N 9.565 124.137 114.554 0.030 0.000 2.866 110 T HA 0.029 4.378 4.350 -0.000 0.000 0.293 110 T C -1.331 173.374 174.700 0.008 0.000 1.005 110 T CA -0.312 61.799 62.100 0.018 0.000 1.162 110 T CB 0.734 69.605 68.868 0.005 0.000 0.968 110 T HN 0.569 nan 8.240 nan 0.000 0.530 111 P HA -0.119 nan 4.420 nan 0.000 0.216 111 P C 1.152 178.434 177.300 -0.030 0.000 1.150 111 P CA 0.919 64.010 63.100 -0.015 0.000 0.843 111 P CB 0.076 31.765 31.700 -0.018 0.000 0.787 112 N N -1.545 117.142 118.700 -0.022 0.000 2.295 112 N HA 0.057 4.797 4.740 -0.000 0.000 0.221 112 N C 0.316 175.821 175.510 -0.010 0.000 1.129 112 N CA 0.122 53.157 53.050 -0.024 0.000 0.836 112 N CB -0.561 37.915 38.487 -0.019 0.000 1.040 112 N HN 0.194 nan 8.380 nan 0.000 0.494 113 M N 0.947 120.546 119.600 -0.001 0.000 3.036 113 M HA 0.375 4.855 4.480 -0.000 0.000 0.323 113 M C -0.597 175.718 176.300 0.024 0.000 1.248 113 M CA -0.294 55.013 55.300 0.010 0.000 0.819 113 M CB 0.633 33.239 32.600 0.009 0.000 1.361 113 M HN -0.056 nan 8.290 nan 0.000 0.510 114 I N 0.911 121.497 120.570 0.026 0.000 2.416 114 I HA 0.147 4.317 4.170 -0.000 0.000 0.288 114 I C 0.180 176.332 176.117 0.059 0.000 1.051 114 I CA -0.639 60.694 61.300 0.055 0.000 1.375 114 I CB 1.098 39.145 38.000 0.078 0.000 1.407 114 I HN -0.067 nan 8.210 nan 0.000 0.516 115 V N 6.755 126.708 119.914 0.065 0.000 2.427 115 V HA 0.404 4.524 4.120 -0.000 0.000 0.268 115 V C 0.818 176.957 176.094 0.075 0.000 1.046 115 V CA 0.087 62.424 62.300 0.062 0.000 0.970 115 V CB 0.418 32.281 31.823 0.066 0.000 1.001 115 V HN 0.994 nan 8.190 nan 0.000 0.476 116 G N 2.954 111.794 108.800 0.068 0.000 3.211 116 G HA2 0.389 4.349 3.960 -0.000 0.000 0.262 116 G HA3 0.389 4.349 3.960 -0.000 0.000 0.262 116 G C 0.757 175.688 174.900 0.052 0.000 1.352 116 G CA 0.225 45.368 45.100 0.073 0.000 1.004 116 G HN 0.441 nan 8.290 nan 0.000 0.559 117 T N 0.970 115.552 114.554 0.046 0.000 2.759 117 T HA -0.081 4.269 4.350 -0.000 0.000 0.269 117 T C 2.406 177.121 174.700 0.024 0.000 1.042 117 T CA 1.967 64.087 62.100 0.033 0.000 1.140 117 T CB -0.271 68.613 68.868 0.028 0.000 0.864 117 T HN 0.647 nan 8.240 nan 0.000 0.455 118 A N 0.964 123.800 122.820 0.026 0.000 2.235 118 A HA 0.178 4.498 4.320 -0.000 0.000 0.208 118 A C 1.131 178.717 177.584 0.003 0.000 1.172 118 A CA 0.251 52.297 52.037 0.015 0.000 0.786 118 A CB -0.248 18.765 19.000 0.021 0.000 0.804 118 A HN 0.376 nan 8.150 nan 0.000 0.479 119 T N 1.073 115.629 114.554 0.003 0.000 2.743 119 T HA 0.400 4.749 4.350 -0.000 0.000 0.293 119 T C -0.240 174.431 174.700 -0.048 0.000 0.945 119 T CA -0.276 61.816 62.100 -0.012 0.000 1.030 119 T CB 1.338 70.210 68.868 0.007 0.000 0.912 119 T HN 0.431 nan 8.240 nan 0.000 0.483 120 E N 2.522 122.680 120.200 -0.069 0.000 2.319 120 E HA 0.470 4.820 4.350 -0.000 0.000 0.268 120 E C -1.122 175.392 176.600 -0.143 0.000 1.050 120 E CA -0.581 55.745 56.400 -0.123 0.000 0.878 120 E CB 0.825 30.463 29.700 -0.103 0.000 1.066 120 E HN 0.317 nan 8.360 nan 0.000 0.406 121 V N 5.008 124.775 119.914 -0.245 0.000 2.540 121 V HA 0.434 4.554 4.120 -0.000 0.000 0.302 121 V C -0.181 175.799 176.094 -0.190 0.000 1.035 121 V CA -0.664 61.507 62.300 -0.215 0.000 0.873 121 V CB 1.509 33.158 31.823 -0.291 0.000 0.992 121 V HN 0.650 nan 8.190 nan 0.000 0.428 122 I N 3.668 124.183 120.570 -0.092 0.000 2.362 122 I HA 0.573 4.743 4.170 -0.000 0.000 0.289 122 I C 0.559 176.674 176.117 -0.004 0.000 0.994 122 I CA -0.600 60.668 61.300 -0.052 0.000 1.158 122 I CB 1.795 39.770 38.000 -0.040 0.000 1.315 122 I HN 0.716 nan 8.210 nan 0.000 0.451 123 A N 5.114 127.948 122.820 0.023 0.000 2.395 123 A HA 0.541 4.861 4.320 -0.000 0.000 0.286 123 A C 0.829 178.443 177.584 0.051 0.000 1.193 123 A CA -0.032 52.041 52.037 0.060 0.000 0.852 123 A CB 0.264 19.315 19.000 0.085 0.000 1.118 123 A HN 0.901 nan 8.150 nan 0.000 0.524 124 A N 2.925 125.779 122.820 0.057 0.000 2.430 124 A HA 0.269 4.589 4.320 -0.000 0.000 0.243 124 A C 0.698 178.325 177.584 0.071 0.000 1.254 124 A CA -0.229 51.843 52.037 0.059 0.000 0.914 124 A CB -0.116 18.916 19.000 0.052 0.000 0.998 124 A HN 0.827 nan 8.150 nan 0.000 0.515 125 E N 0.114 120.360 120.200 0.076 0.000 2.480 125 E HA 0.273 4.623 4.350 -0.000 0.000 0.258 125 E C 0.867 177.502 176.600 0.059 0.000 0.984 125 E CA 0.572 57.019 56.400 0.078 0.000 0.930 125 E CB 0.084 29.828 29.700 0.074 0.000 0.936 125 E HN 0.933 nan 8.360 nan 0.000 0.466 126 G N 2.819 111.656 108.800 0.062 0.000 2.179 126 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.260 126 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.260 126 G C -0.050 174.890 174.900 0.067 0.000 0.977 126 G CA 0.343 45.474 45.100 0.052 0.000 0.641 126 G HN 0.471 nan 8.290 nan 0.000 0.533 127 K N 0.103 120.552 120.400 0.082 0.000 2.156 127 K HA 0.682 5.001 4.320 -0.000 0.000 0.254 127 K C 0.327 176.996 176.600 0.115 0.000 0.950 127 K CA -0.888 55.470 56.287 0.118 0.000 0.849 127 K CB 1.871 34.442 32.500 0.119 0.000 1.100 127 K HN 0.244 nan 8.250 nan 0.000 0.434 128 I N 1.766 122.438 120.570 0.170 0.000 2.365 128 I HA 0.173 4.342 4.170 -0.000 0.000 0.291 128 I C -0.183 176.133 176.117 0.331 0.000 1.004 128 I CA -0.907 60.493 61.300 0.167 0.000 1.311 128 I CB 1.286 39.324 38.000 0.063 0.000 1.401 128 I HN 0.001 nan 8.210 nan 0.000 0.491 129 V N 4.982 125.031 119.914 0.225 0.000 2.448 129 V HA 0.518 4.637 4.120 -0.000 0.000 0.295 129 V C 0.188 176.443 176.094 0.268 0.000 1.025 129 V CA -0.436 62.010 62.300 0.242 0.000 0.859 129 V CB 1.774 33.662 31.823 0.109 0.000 0.988 129 V HN 0.905 nan 8.190 nan 0.000 0.431 130 T N 1.711 116.500 114.554 0.391 0.000 2.907 130 T HA 0.856 5.206 4.350 -0.000 0.000 0.290 130 T C 0.052 174.925 174.700 0.289 0.000 1.066 130 T CA -0.353 61.968 62.100 0.368 0.000 1.012 130 T CB 1.900 71.100 68.868 0.554 0.000 1.184 130 T HN 1.027 nan 8.240 nan 0.000 0.522 131 A N 0.576 123.547 122.820 0.251 0.000 2.466 131 A HA 0.586 4.906 4.320 -0.000 0.000 0.238 131 A C 1.067 178.810 177.584 0.266 0.000 1.074 131 A CA -0.029 52.139 52.037 0.218 0.000 0.774 131 A CB -0.832 18.287 19.000 0.198 0.000 1.015 131 A HN 1.402 nan 8.150 nan 0.000 0.498 132 G N 0.341 109.267 108.800 0.210 0.000 2.432 132 G HA2 0.465 4.425 3.960 -0.000 0.000 0.239 132 G HA3 0.465 4.425 3.960 -0.000 0.000 0.239 132 G C 0.598 175.659 174.900 0.269 0.000 1.291 132 G CA 0.202 45.432 45.100 0.217 0.000 0.863 132 G HN 1.220 nan 8.290 nan 0.000 0.560 133 G N 0.110 109.098 108.800 0.313 0.000 2.491 133 G HA2 0.415 4.375 3.960 -0.000 0.000 0.242 133 G HA3 0.415 4.375 3.960 -0.000 0.000 0.242 133 G C -0.090 174.953 174.900 0.238 0.000 1.266 133 G CA -0.476 44.840 45.100 0.360 0.000 0.844 133 G HN 0.501 nan 8.290 nan 0.000 0.571 134 I N 2.168 122.871 120.570 0.222 0.000 2.437 134 I HA 0.203 4.373 4.170 -0.000 0.000 0.279 134 I C -0.844 175.362 176.117 0.149 0.000 1.028 134 I CA -1.025 60.370 61.300 0.158 0.000 1.142 134 I CB 1.256 39.307 38.000 0.086 0.000 1.266 134 I HN 0.345 nan 8.210 nan 0.000 0.461 135 D N 4.639 125.129 120.400 0.151 0.000 2.359 135 D HA 0.266 4.906 4.640 -0.000 0.000 0.230 135 D C 1.006 177.403 176.300 0.162 0.000 1.118 135 D CA -0.117 53.957 54.000 0.124 0.000 0.844 135 D CB 1.343 42.191 40.800 0.080 0.000 1.059 135 D HN 0.592 nan 8.370 nan 0.000 0.493 136 T N 0.210 114.863 114.554 0.164 0.000 3.105 136 T HA 0.108 4.458 4.350 -0.000 0.000 0.253 136 T C 0.629 175.420 174.700 0.151 0.000 1.047 136 T CA -0.077 62.166 62.100 0.238 0.000 0.944 136 T CB -0.397 68.641 68.868 0.283 0.000 1.016 136 T HN 0.502 nan 8.240 nan 0.000 0.544 137 H N 0.675 119.648 119.070 -0.162 0.000 2.336 137 H HA 0.593 5.149 4.556 -0.000 0.000 0.230 137 H C -1.389 173.802 175.328 -0.229 0.000 1.426 137 H CA -0.559 55.225 56.048 -0.440 0.000 1.359 137 H CB 0.232 29.469 29.762 -0.875 0.000 1.555 137 H HN 0.088 nan 8.280 nan 0.000 0.512 138 V N 3.490 123.378 119.914 -0.043 0.000 2.398 138 V HA 0.160 4.280 4.120 -0.000 0.000 0.286 138 V C 0.082 175.960 176.094 -0.361 0.000 1.026 138 V CA -0.751 61.421 62.300 -0.212 0.000 0.868 138 V CB 1.253 32.816 31.823 -0.434 0.000 0.982 138 V HN 0.694 nan 8.190 nan 0.000 0.443 139 H N 4.657 123.600 119.070 -0.212 0.000 2.604 139 H HA 0.295 4.850 4.556 -0.000 0.000 0.306 139 H C -0.897 174.287 175.328 -0.241 0.000 1.075 139 H CA -0.311 55.646 56.048 -0.151 0.000 1.357 139 H CB 0.989 30.743 29.762 -0.013 0.000 1.426 139 H HN 0.487 nan 8.280 nan 0.000 0.470 140 F N 4.089 124.116 119.950 0.129 0.000 2.509 140 F HA 0.111 4.637 4.527 -0.000 0.000 0.350 140 F C 1.129 176.978 175.800 0.081 0.000 1.220 140 F CA -0.013 58.034 58.000 0.078 0.000 1.151 140 F CB -0.115 38.907 39.000 0.037 0.000 1.379 140 F HN 0.487 nan 8.300 nan 0.000 0.610 141 I N 0.795 121.481 120.570 0.193 0.000 4.124 141 I HA 0.092 4.262 4.170 -0.000 0.000 0.311 141 I C 0.184 176.357 176.117 0.094 0.000 1.259 141 I CA 0.196 61.572 61.300 0.126 0.000 1.315 141 I CB 0.466 38.513 38.000 0.078 0.000 1.223 141 I HN 0.327 nan 8.210 nan 0.000 0.441 142 N N 0.630 119.385 118.700 0.091 0.000 2.519 142 N HA 0.227 4.966 4.740 -0.000 0.000 0.291 142 N C -2.390 173.165 175.510 0.075 0.000 1.107 142 N CA -1.810 51.278 53.050 0.063 0.000 0.904 142 N CB 2.065 40.572 38.487 0.033 0.000 1.500 142 N HN -0.273 nan 8.380 nan 0.000 0.510 143 P HA -0.037 nan 4.420 nan 0.000 0.221 143 P C 0.259 177.589 177.300 0.049 0.000 1.145 143 P CA 0.922 64.063 63.100 0.069 0.000 0.795 143 P CB 0.408 32.134 31.700 0.043 0.000 0.775 144 D N -0.034 120.387 120.400 0.034 0.000 2.311 144 D HA -0.174 4.465 4.640 -0.000 0.000 0.212 144 D C 2.026 178.335 176.300 0.015 0.000 0.972 144 D CA 0.823 54.836 54.000 0.022 0.000 0.887 144 D CB -0.473 40.336 40.800 0.014 0.000 0.915 144 D HN 0.492 nan 8.370 nan 0.000 0.497 145 Q N 0.217 120.031 119.800 0.023 0.000 2.297 145 Q HA -0.057 4.283 4.340 -0.000 0.000 0.204 145 Q C 1.810 177.810 176.000 0.000 0.000 0.962 145 Q CA 0.746 56.554 55.803 0.009 0.000 0.879 145 Q CB -0.150 28.598 28.738 0.017 0.000 0.947 145 Q HN 0.100 nan 8.270 nan 0.000 0.462 146 V N 2.134 122.058 119.914 0.018 0.000 2.295 146 V HA -0.238 3.881 4.120 -0.000 0.000 0.246 146 V C 1.590 177.632 176.094 -0.087 0.000 1.049 146 V CA 2.237 64.537 62.300 0.001 0.000 1.024 146 V CB -0.545 31.298 31.823 0.033 0.000 0.648 146 V HN 0.360 nan 8.190 nan 0.000 0.447 147 D N -0.147 120.197 120.400 -0.094 0.000 2.144 147 D HA -0.118 4.522 4.640 -0.000 0.000 0.200 147 D C 2.149 178.305 176.300 -0.241 0.000 0.978 147 D CA 1.045 54.917 54.000 -0.212 0.000 0.833 147 D CB -0.344 40.442 40.800 -0.023 0.000 0.961 147 D HN 0.265 nan 8.370 nan 0.000 0.470 148 V N 1.298 121.150 119.914 -0.104 0.000 2.282 148 V HA -0.301 3.819 4.120 -0.000 0.000 0.249 148 V C 2.493 178.527 176.094 -0.100 0.000 1.057 148 V CA 2.029 64.286 62.300 -0.072 0.000 1.032 148 V CB -0.862 30.939 31.823 -0.038 0.000 0.645 148 V HN 0.216 nan 8.190 nan 0.000 0.447 149 A N -0.386 122.373 122.820 -0.100 0.000 1.877 149 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 149 A C 2.209 179.707 177.584 -0.145 0.000 1.186 149 A CA 1.904 53.890 52.037 -0.086 0.000 0.620 149 A CB -0.607 18.366 19.000 -0.044 0.000 0.822 149 A HN 0.501 nan 8.150 nan 0.000 0.443 150 L N -0.723 120.339 121.223 -0.269 0.000 2.079 150 L HA -0.216 4.123 4.340 -0.000 0.000 0.210 150 L C 2.993 179.603 176.870 -0.432 0.000 1.081 150 L CA 1.063 55.666 54.840 -0.395 0.000 0.752 150 L CB -0.481 41.178 42.059 -0.667 0.000 0.896 150 L HN 0.448 nan 8.230 nan 0.000 0.433 151 A N -0.846 121.698 122.820 -0.460 0.000 2.067 151 A HA -0.188 4.131 4.320 -0.000 0.000 0.219 151 A C 1.875 179.425 177.584 -0.057 0.000 1.158 151 A CA 1.341 53.278 52.037 -0.167 0.000 0.661 151 A CB -0.523 18.474 19.000 -0.005 0.000 0.801 151 A HN 0.506 nan 8.150 nan 0.000 0.452 152 N N -0.719 117.958 118.700 -0.039 0.000 2.279 152 N HA 0.209 4.949 4.740 -0.000 0.000 0.226 152 N C 0.745 176.325 175.510 0.116 0.000 1.126 152 N CA 0.614 53.710 53.050 0.077 0.000 0.846 152 N CB 0.027 38.558 38.487 0.074 0.000 1.050 152 N HN 0.466 nan 8.380 nan 0.000 0.502 153 G N 1.365 110.137 108.800 -0.047 0.000 2.137 153 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.237 153 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.237 153 G C -0.076 174.875 174.900 0.085 0.000 1.002 153 G CA -0.145 44.941 45.100 -0.024 0.000 0.702 153 G HN 0.341 nan 8.290 nan 0.000 0.515 154 I N 1.070 121.660 120.570 0.034 0.000 2.365 154 I HA 0.447 4.617 4.170 -0.000 0.000 0.291 154 I C 1.531 177.685 176.117 0.062 0.000 1.004 154 I CA 0.301 61.643 61.300 0.070 0.000 1.311 154 I CB 1.655 39.680 38.000 0.042 0.000 1.401 154 I HN 0.236 nan 8.210 nan 0.000 0.491 155 T N -0.913 113.711 114.554 0.116 0.000 3.004 155 T HA 0.197 4.547 4.350 -0.000 0.000 0.266 155 T C 0.451 175.258 174.700 0.180 0.000 0.986 155 T CA -0.076 62.100 62.100 0.126 0.000 0.902 155 T CB 0.263 69.212 68.868 0.136 0.000 1.118 155 T HN 0.484 nan 8.240 nan 0.000 0.522 156 T N 2.435 117.111 114.554 0.203 0.000 2.928 156 T HA 0.627 4.977 4.350 -0.000 0.000 0.296 156 T C -1.189 173.671 174.700 0.267 0.000 1.000 156 T CA -0.612 61.653 62.100 0.275 0.000 0.989 156 T CB 1.620 70.675 68.868 0.311 0.000 1.005 156 T HN 0.211 nan 8.240 nan 0.000 0.442 157 L N 3.587 124.989 121.223 0.299 0.000 2.319 157 L HA 0.600 4.940 4.340 -0.000 0.000 0.281 157 L C -1.090 175.995 176.870 0.358 0.000 1.005 157 L CA -0.762 54.243 54.840 0.275 0.000 0.828 157 L CB 0.986 43.199 42.059 0.256 0.000 1.227 157 L HN 0.521 nan 8.230 nan 0.000 0.415 158 F N 1.814 121.855 119.950 0.151 0.000 2.458 158 F HA 0.823 5.349 4.527 -0.000 0.000 0.336 158 F C 0.752 176.613 175.800 0.102 0.000 1.114 158 F CA 0.122 58.223 58.000 0.168 0.000 0.987 158 F CB 2.000 41.071 39.000 0.119 0.000 1.130 158 F HN 0.550 nan 8.300 nan 0.000 0.458 159 G N 1.572 110.496 108.800 0.207 0.000 2.455 159 G HA2 0.474 4.434 3.960 -0.000 0.000 0.223 159 G HA3 0.474 4.434 3.960 -0.000 0.000 0.223 159 G C -1.093 173.936 174.900 0.215 0.000 1.226 159 G CA -0.041 45.123 45.100 0.106 0.000 0.948 159 G HN 1.056 nan 8.290 nan 0.000 0.478 160 G N -1.923 106.965 108.800 0.147 0.000 2.646 160 G HA2 0.935 4.895 3.960 -0.000 0.000 0.291 160 G HA3 0.935 4.895 3.960 -0.000 0.000 0.291 160 G C -0.254 174.836 174.900 0.317 0.000 1.445 160 G CA 0.775 46.055 45.100 0.299 0.000 0.814 160 G HN 2.431 nan 8.290 nan 0.000 0.495 161 G N -1.723 107.266 108.800 0.317 0.000 2.353 161 G HA2 0.520 4.480 3.960 -0.000 0.000 0.308 161 G HA3 0.520 4.480 3.960 -0.000 0.000 0.308 161 G C 0.077 175.093 174.900 0.192 0.000 1.418 161 G CA 0.855 46.111 45.100 0.260 0.000 0.966 161 G HN 1.779 nan 8.290 nan 0.000 0.638 162 T N -2.318 112.326 114.554 0.150 0.000 3.231 162 T HA 0.642 4.992 4.350 -0.000 0.000 0.292 162 T C 1.302 176.056 174.700 0.090 0.000 1.001 162 T CA 1.104 63.259 62.100 0.092 0.000 0.920 162 T CB 0.295 69.220 68.868 0.094 0.000 1.140 162 T HN 2.733 nan 8.240 nan 0.000 0.525 163 G N 2.591 111.464 108.800 0.122 0.000 2.447 163 G HA2 0.035 3.995 3.960 -0.000 0.000 0.220 163 G HA3 0.035 3.995 3.960 -0.000 0.000 0.220 163 G C -2.824 172.131 174.900 0.093 0.000 1.261 163 G CA -0.462 44.698 45.100 0.100 0.000 1.000 163 G HN 0.137 nan 8.290 nan 0.000 0.515 164 P HA 0.484 nan 4.420 nan 0.000 0.220 164 P C 0.301 177.627 177.300 0.044 0.000 1.778 164 P CA 0.892 64.022 63.100 0.049 0.000 0.912 164 P CB 0.006 31.726 31.700 0.033 0.000 1.861 165 A N 0.743 123.599 122.820 0.060 0.000 2.316 165 A HA 0.254 4.574 4.320 -0.000 0.000 0.284 165 A C 1.405 179.011 177.584 0.038 0.000 1.115 165 A CA -0.263 51.807 52.037 0.055 0.000 0.812 165 A CB 0.539 19.590 19.000 0.084 0.000 1.064 165 A HN 0.005 nan 8.150 nan 0.000 0.489 166 E N 1.757 121.959 120.200 0.004 0.000 2.118 166 E HA -0.108 4.241 4.350 -0.000 0.000 0.195 166 E C 2.106 178.661 176.600 -0.075 0.000 0.992 166 E CA 2.055 58.427 56.400 -0.047 0.000 0.804 166 E CB -0.360 29.290 29.700 -0.084 0.000 0.741 166 E HN 0.852 nan 8.360 nan 0.000 0.458 167 G N -0.284 108.502 108.800 -0.023 0.000 2.440 167 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.218 167 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.218 167 G C 1.743 176.708 174.900 0.107 0.000 1.154 167 G CA 1.172 46.285 45.100 0.022 0.000 0.767 167 G HN 0.272 nan 8.290 nan 0.000 0.552 168 S N 0.164 115.952 115.700 0.147 0.000 2.414 168 S HA 0.017 4.487 4.470 -0.000 0.000 0.227 168 S C 2.148 176.873 174.600 0.207 0.000 1.022 168 S CA 0.872 59.191 58.200 0.197 0.000 0.958 168 S CB -0.067 63.243 63.200 0.183 0.000 0.797 168 S HN 0.394 nan 8.310 nan 0.000 0.493 169 K N 1.209 121.654 120.400 0.075 0.000 2.283 169 K HA 0.059 4.378 4.320 -0.000 0.000 0.202 169 K C 2.010 178.555 176.600 -0.092 0.000 1.048 169 K CA 1.070 57.350 56.287 -0.012 0.000 0.948 169 K CB -0.124 32.357 32.500 -0.032 0.000 0.742 169 K HN 0.343 nan 8.250 nan 0.000 0.458 170 A N 0.876 123.652 122.820 -0.074 0.000 2.014 170 A HA 0.012 4.332 4.320 -0.000 0.000 0.210 170 A C 1.044 178.583 177.584 -0.076 0.000 1.188 170 A CA 0.790 52.733 52.037 -0.157 0.000 0.731 170 A CB 0.296 19.103 19.000 -0.321 0.000 0.858 170 A HN 0.317 nan 8.150 nan 0.000 0.464 171 T N -2.252 112.344 114.554 0.070 0.000 2.909 171 T HA 0.449 4.799 4.350 -0.000 0.000 0.299 171 T C -0.263 174.500 174.700 0.105 0.000 1.073 171 T CA 0.204 62.342 62.100 0.064 0.000 0.999 171 T CB 1.230 70.011 68.868 -0.145 0.000 1.098 171 T HN 0.334 nan 8.240 nan 0.000 0.477 172 T N 0.648 115.116 114.554 -0.143 0.000 4.104 172 T HA 0.511 4.861 4.350 -0.000 0.000 0.285 172 T C -0.134 174.584 174.700 0.030 0.000 1.346 172 T CA -0.515 61.442 62.100 -0.239 0.000 1.158 172 T CB -1.129 67.593 68.868 -0.244 0.000 1.290 172 T HN 0.604 nan 8.240 nan 0.000 0.975 173 V N 2.139 122.115 119.914 0.103 0.000 2.686 173 V HA 0.451 4.570 4.120 -0.000 0.000 0.306 173 V C -0.067 176.085 176.094 0.098 0.000 1.065 173 V CA -0.820 61.541 62.300 0.101 0.000 0.894 173 V CB 2.481 34.382 31.823 0.130 0.000 1.004 173 V HN 0.717 nan 8.190 nan 0.000 0.424 174 T N 6.949 121.534 114.554 0.052 0.000 2.874 174 T HA 0.400 4.750 4.350 -0.000 0.000 0.321 174 T C -2.749 171.942 174.700 -0.015 0.000 1.075 174 T CA -1.224 60.896 62.100 0.034 0.000 0.966 174 T CB 1.315 70.193 68.868 0.016 0.000 1.001 174 T HN 0.416 nan 8.240 nan 0.000 0.476 175 P HA 0.464 nan 4.420 nan 0.000 0.287 175 P C 0.506 177.786 177.300 -0.033 0.000 1.294 175 P CA 0.404 63.440 63.100 -0.107 0.000 0.776 175 P CB 0.709 32.281 31.700 -0.214 0.000 0.889 176 G N 5.341 114.116 108.800 -0.041 0.000 2.781 176 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.683 176 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.683 176 G C -2.251 172.672 174.900 0.039 0.000 1.390 176 G CA -0.680 44.421 45.100 0.001 0.000 0.850 176 G HN 0.242 nan 8.290 nan 0.000 0.557 177 P HA -0.085 nan 4.420 nan 0.000 0.215 177 P C 1.621 178.979 177.300 0.096 0.000 1.153 177 P CA 2.131 65.265 63.100 0.057 0.000 0.853 177 P CB 0.024 31.760 31.700 0.061 0.000 0.788 178 W N 0.539 121.817 121.300 -0.036 0.000 2.408 178 W HA -0.091 4.568 4.660 -0.000 0.000 0.311 178 W C 2.065 178.564 176.519 -0.034 0.000 1.190 178 W CA 1.328 58.654 57.345 -0.032 0.000 1.321 178 W CB -0.843 28.601 29.460 -0.027 0.000 1.143 178 W HN -0.185 nan 8.180 nan 0.000 0.501 179 N N 0.661 119.498 118.700 0.228 0.000 2.149 179 N HA -0.215 4.525 4.740 -0.000 0.000 0.188 179 N C 1.761 177.195 175.510 -0.126 0.000 1.019 179 N CA 2.163 55.225 53.050 0.020 0.000 0.857 179 N CB -0.746 37.824 38.487 0.138 0.000 0.997 179 N HN 0.289 nan 8.380 nan 0.000 0.426 180 I N 1.641 122.165 120.570 -0.077 0.000 2.226 180 I HA -0.232 3.937 4.170 -0.000 0.000 0.245 180 I C 2.155 178.174 176.117 -0.164 0.000 1.100 180 I CA 1.174 62.413 61.300 -0.102 0.000 1.374 180 I CB -0.174 37.790 38.000 -0.059 0.000 1.057 180 I HN 0.139 nan 8.210 nan 0.000 0.413 181 E N 0.580 120.665 120.200 -0.192 0.000 2.077 181 E HA -0.223 4.126 4.350 -0.000 0.000 0.193 181 E C 2.165 178.578 176.600 -0.312 0.000 0.989 181 E CA 0.976 57.237 56.400 -0.231 0.000 0.800 181 E CB 0.058 29.619 29.700 -0.232 0.000 0.746 181 E HN 0.271 nan 8.360 nan 0.000 0.452 182 K N 0.247 120.365 120.400 -0.471 0.000 2.032 182 K HA -0.106 4.214 4.320 -0.000 0.000 0.209 182 K C 1.948 178.364 176.600 -0.306 0.000 1.048 182 K CA 1.162 57.159 56.287 -0.484 0.000 0.927 182 K CB -0.256 31.820 32.500 -0.706 0.000 0.712 182 K HN 0.196 nan 8.250 nan 0.000 0.441 183 M N 0.437 119.877 119.600 -0.266 0.000 2.319 183 M HA 0.008 4.488 4.480 -0.000 0.000 0.265 183 M C 2.231 178.385 176.300 -0.243 0.000 1.068 183 M CA 0.949 56.103 55.300 -0.244 0.000 1.118 183 M CB -0.773 31.684 32.600 -0.238 0.000 1.395 183 M HN 0.036 nan 8.290 nan 0.000 0.435 184 L N -0.216 120.879 121.223 -0.214 0.000 2.056 184 L HA -0.214 4.126 4.340 -0.000 0.000 0.207 184 L C 2.466 179.237 176.870 -0.165 0.000 1.078 184 L CA 1.179 55.909 54.840 -0.183 0.000 0.749 184 L CB -0.487 41.480 42.059 -0.153 0.000 0.901 184 L HN 0.279 nan 8.230 nan 0.000 0.433 185 K N -0.801 119.497 120.400 -0.170 0.000 2.057 185 K HA -0.148 4.171 4.320 -0.000 0.000 0.206 185 K C 2.400 178.925 176.600 -0.125 0.000 1.050 185 K CA 1.425 57.627 56.287 -0.142 0.000 0.935 185 K CB -0.228 32.181 32.500 -0.151 0.000 0.715 185 K HN 0.097 nan 8.250 nan 0.000 0.439 186 S N 0.520 116.131 115.700 -0.149 0.000 2.370 186 S HA -0.156 4.314 4.470 -0.000 0.000 0.226 186 S C 1.857 176.384 174.600 -0.122 0.000 1.033 186 S CA 1.805 59.927 58.200 -0.130 0.000 1.011 186 S CB -0.347 62.759 63.200 -0.156 0.000 0.852 186 S HN 0.280 nan 8.310 nan 0.000 0.457 187 T N 2.218 116.676 114.554 -0.161 0.000 2.849 187 T HA -0.070 4.279 4.350 -0.000 0.000 0.270 187 T C 1.577 176.234 174.700 -0.072 0.000 1.066 187 T CA 1.133 63.144 62.100 -0.149 0.000 1.130 187 T CB -0.346 68.408 68.868 -0.191 0.000 0.864 187 T HN 0.424 nan 8.240 nan 0.000 0.481 188 E N 0.671 120.840 120.200 -0.053 0.000 2.219 188 E HA -0.082 4.268 4.350 -0.000 0.000 0.198 188 E C 2.128 178.765 176.600 0.061 0.000 0.998 188 E CA 1.058 57.470 56.400 0.021 0.000 0.818 188 E CB -0.394 29.311 29.700 0.008 0.000 0.741 188 E HN 0.586 nan 8.360 nan 0.000 0.477 189 G N 0.038 108.844 108.800 0.010 0.000 3.393 189 G HA2 0.255 4.214 3.960 -0.000 0.000 0.255 189 G HA3 0.255 4.214 3.960 -0.000 0.000 0.255 189 G C 0.336 175.233 174.900 -0.003 0.000 1.097 189 G CA -0.335 44.768 45.100 0.005 0.000 0.780 189 G HN 0.005 nan 8.290 nan 0.000 0.540 190 L N 2.145 123.364 121.223 -0.007 0.000 2.265 190 L HA 0.334 4.674 4.340 -0.000 0.000 0.289 190 L C -1.959 174.924 176.870 0.020 0.000 1.033 190 L CA -1.998 52.845 54.840 0.004 0.000 0.814 190 L CB 2.143 44.197 42.059 -0.008 0.000 1.203 190 L HN -0.103 nan 8.230 nan 0.000 0.423 191 P HA 0.252 nan 4.420 nan 0.000 0.220 191 P C -0.530 176.798 177.300 0.047 0.000 1.806 191 P CA 0.273 63.394 63.100 0.034 0.000 0.976 191 P CB 0.485 32.204 31.700 0.032 0.000 1.952 192 I N 0.384 120.991 120.570 0.062 0.000 2.882 192 I HA 0.272 4.441 4.170 -0.000 0.000 0.298 192 I C -1.111 175.072 176.117 0.110 0.000 1.462 192 I CA -0.922 60.432 61.300 0.090 0.000 1.000 192 I CB 2.177 40.231 38.000 0.090 0.000 1.340 192 I HN -0.191 nan 8.210 nan 0.000 0.462 193 N N 3.817 122.612 118.700 0.158 0.000 2.479 193 N HA 0.405 5.145 4.740 -0.000 0.000 0.257 193 N C -1.082 174.560 175.510 0.220 0.000 1.232 193 N CA -0.038 53.120 53.050 0.181 0.000 0.920 193 N CB 1.410 40.090 38.487 0.322 0.000 1.105 193 N HN 0.275 nan 8.380 nan 0.000 0.444 194 V N -0.460 119.555 119.914 0.169 0.000 2.888 194 V HA 0.769 4.889 4.120 -0.000 0.000 0.309 194 V C 0.283 176.364 176.094 -0.021 0.000 1.114 194 V CA -0.939 61.421 62.300 0.100 0.000 0.940 194 V CB 2.203 34.003 31.823 -0.037 0.000 1.021 194 V HN 0.786 nan 8.190 nan 0.000 0.426 195 G N 3.205 111.749 108.800 -0.427 0.000 2.638 195 G HA2 0.790 4.750 3.960 -0.000 0.000 0.302 195 G HA3 0.790 4.750 3.960 -0.000 0.000 0.302 195 G C -1.465 173.035 174.900 -0.667 0.000 1.365 195 G CA -0.542 43.978 45.100 -0.967 0.000 0.987 195 G HN 0.577 nan 8.290 nan 0.000 0.495 196 I N 1.520 121.886 120.570 -0.340 0.000 2.404 196 I HA 0.368 4.538 4.170 -0.000 0.000 0.293 196 I C -0.339 175.757 176.117 -0.035 0.000 0.992 196 I CA -0.691 60.540 61.300 -0.114 0.000 1.149 196 I CB 2.015 39.945 38.000 -0.117 0.000 1.315 196 I HN 0.101 nan 8.210 nan 0.000 0.446 197 L N 5.492 126.742 121.223 0.045 0.000 2.295 197 L HA 0.567 4.907 4.340 -0.000 0.000 0.285 197 L C 0.767 177.656 176.870 0.032 0.000 1.035 197 L CA -0.505 54.372 54.840 0.062 0.000 0.806 197 L CB 1.343 43.460 42.059 0.096 0.000 1.214 197 L HN 0.651 nan 8.230 nan 0.000 0.426 198 G N 1.658 110.465 108.800 0.012 0.000 2.580 198 G HA2 0.183 4.142 3.960 -0.000 0.000 0.278 198 G HA3 0.183 4.142 3.960 -0.000 0.000 0.278 198 G C -0.568 174.311 174.900 -0.035 0.000 1.212 198 G CA -0.591 44.497 45.100 -0.020 0.000 0.939 198 G HN 0.577 nan 8.290 nan 0.000 0.513 199 K N 0.089 120.425 120.400 -0.106 0.000 2.378 199 K HA 0.222 4.542 4.320 -0.000 0.000 0.288 199 K C 0.812 177.409 176.600 -0.005 0.000 1.057 199 K CA -0.009 56.180 56.287 -0.164 0.000 0.971 199 K CB 0.236 32.466 32.500 -0.450 0.000 0.975 199 K HN 0.416 nan 8.250 nan 0.000 0.475 200 G N 4.787 113.679 108.800 0.154 0.000 3.541 200 G HA2 0.090 4.049 3.960 -0.000 0.000 0.253 200 G HA3 0.090 4.049 3.960 -0.000 0.000 0.253 200 G C -0.948 173.918 174.900 -0.058 0.000 1.017 200 G CA -0.119 45.020 45.100 0.066 0.000 1.832 200 G HN 0.670 nan 8.290 nan 0.000 0.649 201 H N -0.890 118.135 119.070 -0.074 0.000 2.856 201 H HA 0.682 5.238 4.556 -0.000 0.000 0.355 201 H C 0.288 175.583 175.328 -0.054 0.000 1.079 201 H CA 0.183 56.205 56.048 -0.044 0.000 1.240 201 H CB 2.210 31.946 29.762 -0.043 0.000 1.701 201 H HN 0.628 nan 8.280 nan 0.000 0.527 202 G N -0.207 108.614 108.800 0.035 0.000 2.350 202 G HA2 0.311 4.271 3.960 -0.000 0.000 0.305 202 G HA3 0.311 4.271 3.960 -0.000 0.000 0.305 202 G C -0.123 174.776 174.900 -0.003 0.000 1.479 202 G CA -0.194 44.916 45.100 0.016 0.000 0.949 202 G HN 0.722 nan 8.290 nan 0.000 0.651 203 S N -1.447 114.254 115.700 0.001 0.000 2.603 203 S HA 0.544 5.013 4.470 -0.000 0.000 0.232 203 S C 0.770 175.366 174.600 -0.007 0.000 1.016 203 S CA 0.681 58.879 58.200 -0.003 0.000 0.976 203 S CB 0.589 63.792 63.200 0.004 0.000 0.921 203 S HN 0.825 nan 8.310 nan 0.000 0.516 204 S N 1.165 116.860 115.700 -0.007 0.000 2.621 204 S HA 0.552 5.022 4.470 -0.000 0.000 0.302 204 S C 0.836 175.429 174.600 -0.012 0.000 1.093 204 S CA -0.816 57.378 58.200 -0.009 0.000 1.017 204 S CB 1.137 64.332 63.200 -0.007 0.000 1.077 204 S HN 0.088 nan 8.310 nan 0.000 0.517 205 I N 1.373 121.935 120.570 -0.012 0.000 2.333 205 I HA -0.070 4.100 4.170 -0.000 0.000 0.246 205 I C 2.565 178.674 176.117 -0.013 0.000 1.106 205 I CA 1.165 62.457 61.300 -0.014 0.000 1.411 205 I CB -1.680 36.313 38.000 -0.012 0.000 1.082 205 I HN 0.755 nan 8.210 nan 0.000 0.420 206 A N 2.066 124.879 122.820 -0.011 0.000 1.883 206 A HA -0.138 4.181 4.320 -0.000 0.000 0.217 206 A C 0.045 177.621 177.584 -0.012 0.000 1.186 206 A CA 1.862 53.893 52.037 -0.010 0.000 0.624 206 A CB -2.125 16.870 19.000 -0.008 0.000 0.822 206 A HN 0.297 nan 8.150 nan 0.000 0.444 207 P HA -0.102 nan 4.420 nan 0.000 0.220 207 P C 1.323 178.608 177.300 -0.025 0.000 1.148 207 P CA 0.927 64.015 63.100 -0.020 0.000 0.803 207 P CB -0.135 31.552 31.700 -0.022 0.000 0.782 208 I N -1.925 118.632 120.570 -0.023 0.000 2.277 208 I HA -0.150 4.020 4.170 -0.000 0.000 0.243 208 I C 2.350 178.456 176.117 -0.019 0.000 1.094 208 I CA 1.101 62.386 61.300 -0.025 0.000 1.393 208 I CB -0.565 37.419 38.000 -0.025 0.000 1.078 208 I HN -0.088 nan 8.210 nan 0.000 0.417 209 M N 1.683 121.275 119.600 -0.014 0.000 2.149 209 M HA -0.235 4.245 4.480 -0.000 0.000 0.261 209 M C 2.162 178.458 176.300 -0.007 0.000 1.064 209 M CA 1.874 57.168 55.300 -0.009 0.000 1.102 209 M CB -0.626 31.969 32.600 -0.008 0.000 1.369 209 M HN 0.334 nan 8.290 nan 0.000 0.408 210 E N -1.166 119.029 120.200 -0.008 0.000 2.265 210 E HA -0.246 4.104 4.350 -0.000 0.000 0.196 210 E C 1.725 178.322 176.600 -0.005 0.000 0.996 210 E CA 1.226 57.623 56.400 -0.005 0.000 0.832 210 E CB -0.614 29.084 29.700 -0.003 0.000 0.756 210 E HN 0.706 nan 8.360 nan 0.000 0.491 211 Q N 0.291 120.085 119.800 -0.010 0.000 2.119 211 Q HA -0.098 4.242 4.340 -0.000 0.000 0.201 211 Q C 2.215 178.211 176.000 -0.007 0.000 0.972 211 Q CA 1.037 56.833 55.803 -0.011 0.000 0.847 211 Q CB 0.017 28.743 28.738 -0.021 0.000 0.903 211 Q HN 0.367 nan 8.270 nan 0.000 0.433 212 I N 1.557 122.126 120.570 -0.002 0.000 2.179 212 I HA -0.231 3.939 4.170 -0.000 0.000 0.242 212 I C 1.576 177.696 176.117 0.005 0.000 1.088 212 I CA 1.371 62.675 61.300 0.006 0.000 1.357 212 I CB -1.153 36.853 38.000 0.009 0.000 1.051 212 I HN 0.181 nan 8.210 nan 0.000 0.409 213 D N 1.176 121.577 120.400 0.001 0.000 2.178 213 D HA -0.100 4.540 4.640 -0.000 0.000 0.201 213 D C 2.181 178.478 176.300 -0.004 0.000 0.980 213 D CA 1.385 55.385 54.000 0.000 0.000 0.842 213 D CB -0.014 40.785 40.800 -0.000 0.000 0.948 213 D HN 0.329 nan 8.370 nan 0.000 0.472 214 A N -0.443 122.373 122.820 -0.006 0.000 2.066 214 A HA 0.324 4.643 4.320 -0.000 0.000 0.218 214 A C 1.854 179.423 177.584 -0.025 0.000 1.157 214 A CA 1.608 53.636 52.037 -0.014 0.000 0.670 214 A CB 0.066 19.059 19.000 -0.011 0.000 0.804 214 A HN 0.315 nan 8.150 nan 0.000 0.453 215 G N -2.846 105.943 108.800 -0.019 0.000 2.370 215 G HA2 0.275 4.235 3.960 -0.000 0.000 0.174 215 G HA3 0.275 4.235 3.960 -0.000 0.000 0.174 215 G C 0.382 175.271 174.900 -0.019 0.000 1.002 215 G CA 0.037 45.123 45.100 -0.023 0.000 0.730 215 G HN 1.318 nan 8.290 nan 0.000 0.497 216 A N 0.371 123.183 122.820 -0.013 0.000 2.507 216 A HA 0.671 4.991 4.320 -0.000 0.000 0.235 216 A C 1.463 179.067 177.584 0.033 0.000 1.070 216 A CA 1.353 53.388 52.037 -0.003 0.000 0.768 216 A CB 0.620 19.621 19.000 0.003 0.000 1.011 216 A HN 1.736 nan 8.150 nan 0.000 0.502 217 A N 0.958 123.810 122.820 0.054 0.000 2.430 217 A HA 0.589 4.909 4.320 -0.000 0.000 0.243 217 A C 0.895 178.612 177.584 0.221 0.000 1.254 217 A CA 0.907 53.036 52.037 0.153 0.000 0.914 217 A CB -0.467 18.628 19.000 0.158 0.000 0.998 217 A HN 2.359 nan 8.150 nan 0.000 0.515 218 G N -1.455 107.431 108.800 0.143 0.000 2.315 218 G HA2 0.462 4.421 3.960 -0.000 0.000 0.294 218 G HA3 0.462 4.421 3.960 -0.000 0.000 0.294 218 G C -1.464 173.477 174.900 0.068 0.000 1.300 218 G CA -0.640 44.537 45.100 0.128 0.000 0.843 218 G HN 0.300 nan 8.290 nan 0.000 0.527 222 H N 5.909 125.289 119.070 0.517 0.000 2.600 222 H HA 0.279 4.834 4.556 -0.000 0.000 0.357 222 H C 0.461 175.935 175.328 0.243 0.000 1.106 222 H CA -0.381 55.823 56.048 0.260 0.000 1.193 222 H CB 2.558 32.412 29.762 0.153 0.000 1.594 222 H HN 0.874 nan 8.280 nan 0.000 0.526 223 E N 2.339 122.580 120.200 0.069 0.000 2.219 223 E HA -0.216 4.134 4.350 -0.000 0.000 0.198 223 E C 0.118 176.818 176.600 0.167 0.000 0.998 223 E CA 1.669 58.165 56.400 0.161 0.000 0.818 223 E CB 0.165 29.945 29.700 0.134 0.000 0.741 223 E HN 0.459 nan 8.360 nan 0.000 0.477 224 D N 0.096 120.632 120.400 0.227 0.000 2.264 224 D HA -0.111 4.528 4.640 -0.000 0.000 0.208 224 D C 0.625 176.740 176.300 -0.308 0.000 0.966 224 D CA 0.913 54.837 54.000 -0.127 0.000 0.864 224 D CB -0.219 40.335 40.800 -0.409 0.000 0.933 224 D HN 0.481 nan 8.370 nan 0.000 0.499 225 W N 0.302 121.540 121.300 -0.103 0.000 3.278 225 W HA 0.378 5.038 4.660 -0.000 0.000 0.308 225 W C 0.646 177.157 176.519 -0.013 0.000 1.253 225 W CA 0.004 57.176 57.345 -0.288 0.000 1.759 225 W CB 0.782 29.682 29.460 -0.934 0.000 1.093 225 W HN -0.073 nan 8.180 nan 0.000 0.648 226 G N 1.231 110.230 108.800 0.333 0.000 2.858 226 G HA2 0.053 4.013 3.960 -0.000 0.000 0.272 226 G HA3 0.053 4.013 3.960 -0.000 0.000 0.272 226 G C -0.158 174.974 174.900 0.387 0.000 1.003 226 G CA -0.617 44.678 45.100 0.325 0.000 1.241 226 G HN 0.399 nan 8.290 nan 0.000 0.569 227 A N 2.150 125.139 122.820 0.283 0.000 3.077 227 A HA 0.634 4.954 4.320 -0.000 0.000 0.255 227 A C 1.340 178.966 177.584 0.069 0.000 1.728 227 A CA 0.987 53.121 52.037 0.162 0.000 1.383 227 A CB -0.608 18.479 19.000 0.145 0.000 1.097 227 A HN 2.058 nan 8.150 nan 0.000 0.634 228 T N -2.505 112.076 114.554 0.045 0.000 2.902 228 T HA 0.450 4.800 4.350 -0.000 0.000 0.280 228 T C -1.749 172.953 174.700 0.005 0.000 0.992 228 T CA -1.703 60.416 62.100 0.032 0.000 1.015 228 T CB 1.010 69.900 68.868 0.037 0.000 1.044 228 T HN 0.086 nan 8.240 nan 0.000 0.520 229 P HA -0.085 nan 4.420 nan 0.000 0.216 229 P C 1.575 178.865 177.300 -0.017 0.000 1.150 229 P CA 1.591 64.691 63.100 -0.000 0.000 0.843 229 P CB -0.260 31.442 31.700 0.003 0.000 0.787 230 A N -0.979 121.831 122.820 -0.016 0.000 1.873 230 A HA -0.140 4.180 4.320 -0.000 0.000 0.215 230 A C 2.390 179.944 177.584 -0.049 0.000 1.186 230 A CA 2.030 54.053 52.037 -0.023 0.000 0.616 230 A CB -1.453 17.541 19.000 -0.009 0.000 0.823 230 A HN 0.098 nan 8.150 nan 0.000 0.442 231 S N -0.253 115.402 115.700 -0.076 0.000 2.382 231 S HA -0.089 4.380 4.470 -0.000 0.000 0.228 231 S C 1.776 176.271 174.600 -0.176 0.000 1.027 231 S CA 1.384 59.483 58.200 -0.168 0.000 0.991 231 S CB -0.481 62.516 63.200 -0.338 0.000 0.823 231 S HN 0.516 nan 8.310 nan 0.000 0.469 232 I N 1.368 121.864 120.570 -0.124 0.000 2.202 232 I HA -0.197 3.972 4.170 -0.000 0.000 0.242 232 I C 2.367 178.443 176.117 -0.068 0.000 1.091 232 I CA 1.506 62.751 61.300 -0.092 0.000 1.368 232 I CB -0.323 37.647 38.000 -0.049 0.000 1.058 232 I HN 0.246 nan 8.210 nan 0.000 0.410 233 D N 0.617 120.985 120.400 -0.053 0.000 2.117 233 D HA -0.174 4.465 4.640 -0.000 0.000 0.198 233 D C 2.309 178.584 176.300 -0.040 0.000 0.982 233 D CA 1.265 55.242 54.000 -0.039 0.000 0.828 233 D CB 0.133 40.916 40.800 -0.028 0.000 0.967 233 D HN -0.010 nan 8.370 nan 0.000 0.464 234 R N 0.290 120.762 120.500 -0.047 0.000 2.092 234 R HA 0.066 4.406 4.340 -0.000 0.000 0.231 234 R C 2.508 178.782 176.300 -0.044 0.000 1.119 234 R CA 0.690 56.765 56.100 -0.041 0.000 0.970 234 R CB -1.074 29.203 30.300 -0.039 0.000 0.864 234 R HN 0.179 nan 8.270 nan 0.000 0.440 235 S N 1.457 117.121 115.700 -0.061 0.000 2.368 235 S HA -0.020 4.449 4.470 -0.000 0.000 0.225 235 S C 2.071 176.645 174.600 -0.043 0.000 1.030 235 S CA 0.936 59.102 58.200 -0.058 0.000 0.999 235 S CB -0.155 62.996 63.200 -0.083 0.000 0.844 235 S HN 0.190 nan 8.310 nan 0.000 0.459 236 L N 0.807 122.004 121.223 -0.044 0.000 2.156 236 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 236 L C 2.564 179.418 176.870 -0.026 0.000 1.095 236 L CA 0.945 55.764 54.840 -0.034 0.000 0.770 236 L CB -0.848 41.190 42.059 -0.035 0.000 0.914 236 L HN 0.289 nan 8.230 nan 0.000 0.439 237 T N -0.623 113.916 114.554 -0.025 0.000 2.777 237 T HA -0.147 4.203 4.350 -0.000 0.000 0.266 237 T C 2.016 176.706 174.700 -0.017 0.000 1.040 237 T CA 1.247 63.336 62.100 -0.019 0.000 1.141 237 T CB -0.134 68.723 68.868 -0.019 0.000 0.868 237 T HN 0.037 nan 8.240 nan 0.000 0.444 238 V N 1.686 121.589 119.914 -0.018 0.000 2.295 238 V HA -0.168 3.952 4.120 -0.000 0.000 0.246 238 V C 2.878 178.967 176.094 -0.010 0.000 1.049 238 V CA 1.745 64.037 62.300 -0.014 0.000 1.024 238 V CB -1.153 30.660 31.823 -0.016 0.000 0.648 238 V HN 0.528 nan 8.190 nan 0.000 0.447 239 A N -0.409 122.404 122.820 -0.012 0.000 1.933 239 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 239 A C 1.996 179.576 177.584 -0.007 0.000 1.175 239 A CA 1.998 54.030 52.037 -0.007 0.000 0.628 239 A CB -0.582 18.410 19.000 -0.013 0.000 0.814 239 A HN 0.535 nan 8.150 nan 0.000 0.444 240 D N -0.831 119.562 120.400 -0.011 0.000 2.144 240 D HA -0.124 4.516 4.640 -0.000 0.000 0.200 240 D C 1.897 178.192 176.300 -0.007 0.000 0.978 240 D CA 1.385 55.379 54.000 -0.010 0.000 0.833 240 D CB -0.199 40.593 40.800 -0.012 0.000 0.961 240 D HN 0.740 nan 8.370 nan 0.000 0.470 241 E N -0.058 120.138 120.200 -0.006 0.000 2.107 241 E HA -0.034 4.316 4.350 -0.000 0.000 0.191 241 E C 1.637 178.237 176.600 -0.001 0.000 0.982 241 E CA 0.762 57.159 56.400 -0.005 0.000 0.809 241 E CB 0.144 29.841 29.700 -0.005 0.000 0.756 241 E HN 0.143 nan 8.360 nan 0.000 0.459 242 A N 0.416 123.237 122.820 0.002 0.000 2.195 242 A HA 0.024 4.344 4.320 -0.000 0.000 0.210 242 A C 0.458 178.051 177.584 0.014 0.000 1.165 242 A CA 0.631 52.674 52.037 0.009 0.000 0.806 242 A CB 0.290 19.297 19.000 0.012 0.000 0.847 242 A HN 0.360 nan 8.150 nan 0.000 0.482 243 D N -0.667 119.739 120.400 0.009 0.000 2.718 243 D HA -0.126 4.514 4.640 -0.000 0.000 0.242 243 D C -0.075 176.240 176.300 0.025 0.000 1.123 243 D CA 1.066 55.073 54.000 0.011 0.000 0.690 243 D CB -1.749 39.055 40.800 0.007 0.000 1.059 243 D HN 0.953 nan 8.370 nan 0.000 0.429 244 V N -2.398 117.532 119.914 0.027 0.000 3.126 244 V HA 0.839 4.959 4.120 -0.000 0.000 0.314 244 V C 0.154 176.263 176.094 0.026 0.000 1.138 244 V CA -0.987 61.340 62.300 0.044 0.000 1.034 244 V CB 2.011 33.873 31.823 0.065 0.000 1.075 244 V HN 0.065 nan 8.190 nan 0.000 0.442 245 Q N 0.698 120.518 119.800 0.033 0.000 2.260 245 Q HA 0.671 5.011 4.340 -0.000 0.000 0.242 245 Q C -0.980 175.021 176.000 0.002 0.000 0.932 245 Q CA -0.310 55.501 55.803 0.012 0.000 0.891 245 Q CB 1.733 30.476 28.738 0.009 0.000 1.222 245 Q HN 0.809 nan 8.270 nan 0.000 0.453 246 V N 2.317 122.213 119.914 -0.031 0.000 2.448 246 V HA 0.827 4.946 4.120 -0.000 0.000 0.295 246 V C -0.510 175.486 176.094 -0.163 0.000 1.025 246 V CA -0.754 61.498 62.300 -0.080 0.000 0.859 246 V CB 1.297 33.078 31.823 -0.070 0.000 0.988 246 V HN 0.874 nan 8.190 nan 0.000 0.431 247 A N 5.373 127.993 122.820 -0.332 0.000 2.312 247 A HA 0.907 5.227 4.320 -0.000 0.000 0.328 247 A C -0.770 176.476 177.584 -0.563 0.000 1.158 247 A CA -0.560 51.034 52.037 -0.739 0.000 0.821 247 A CB 1.036 19.087 19.000 -1.580 0.000 1.170 247 A HN 0.880 nan 8.150 nan 0.000 0.490 248 I N 1.072 121.325 120.570 -0.529 0.000 2.533 248 I HA 0.376 4.546 4.170 -0.000 0.000 0.290 248 I C -0.908 175.139 176.117 -0.117 0.000 1.056 248 I CA -0.529 60.639 61.300 -0.221 0.000 1.057 248 I CB 1.634 39.574 38.000 -0.100 0.000 1.240 248 I HN 0.905 nan 8.210 nan 0.000 0.423 249 H N 6.398 125.420 119.070 -0.079 0.000 2.638 249 H HA 0.480 5.035 4.556 -0.000 0.000 0.303 249 H C -0.199 175.108 175.328 -0.036 0.000 1.034 249 H CA -0.546 55.523 56.048 0.034 0.000 1.225 249 H CB 0.943 30.681 29.762 -0.040 0.000 1.394 249 H HN 0.665 nan 8.280 nan 0.000 0.477 250 S N 2.686 118.424 115.700 0.063 0.000 2.652 250 S HA -0.003 4.466 4.470 -0.000 0.000 0.267 250 S C 0.347 174.872 174.600 -0.126 0.000 1.201 250 S CA -0.914 57.266 58.200 -0.034 0.000 0.996 250 S CB 0.992 64.156 63.200 -0.060 0.000 1.054 250 S HN 0.760 nan 8.310 nan 0.000 0.561 251 D N 0.340 120.505 120.400 -0.391 0.000 2.470 251 D HA 0.227 4.866 4.640 -0.000 0.000 0.226 251 D C 1.018 177.118 176.300 -0.333 0.000 1.196 251 D CA -0.033 53.805 54.000 -0.269 0.000 0.979 251 D CB -0.145 40.550 40.800 -0.174 0.000 1.059 251 D HN 0.528 nan 8.370 nan 0.000 0.515 252 T N 3.208 117.711 114.554 -0.084 0.000 2.699 252 T HA -0.161 4.189 4.350 -0.000 0.000 0.268 252 T C 1.633 176.405 174.700 0.120 0.000 1.036 252 T CA 0.614 62.729 62.100 0.025 0.000 1.147 252 T CB 0.062 69.022 68.868 0.154 0.000 0.862 252 T HN 0.301 nan 8.240 nan 0.000 0.446 253 L N 1.478 122.780 121.223 0.132 0.000 2.549 253 L HA 0.132 4.472 4.340 -0.000 0.000 0.229 253 L C 0.870 177.816 176.870 0.127 0.000 1.158 253 L CA 0.680 55.606 54.840 0.143 0.000 0.842 253 L CB -1.416 40.697 42.059 0.089 0.000 0.952 253 L HN 0.319 nan 8.230 nan 0.000 0.452 254 N N -0.094 118.687 118.700 0.136 0.000 2.725 254 N HA -0.290 4.450 4.740 -0.000 0.000 0.249 254 N C 1.400 176.876 175.510 -0.057 0.000 1.103 254 N CA 1.145 54.272 53.050 0.129 0.000 0.707 254 N CB -0.992 37.651 38.487 0.260 0.000 1.043 254 N HN 0.602 nan 8.380 nan 0.000 0.553 255 E N 0.201 120.396 120.200 -0.009 0.000 2.028 255 E HA -0.032 4.318 4.350 -0.000 0.000 0.191 255 E C 1.495 178.060 176.600 -0.058 0.000 0.988 255 E CA 1.456 57.839 56.400 -0.028 0.000 0.799 255 E CB 0.014 29.716 29.700 0.004 0.000 0.755 255 E HN 0.454 nan 8.360 nan 0.000 0.447 256 A N 0.115 122.915 122.820 -0.033 0.000 2.348 256 A HA 0.441 4.761 4.320 -0.000 0.000 0.224 256 A C 0.579 178.126 177.584 -0.062 0.000 1.227 256 A CA 0.593 52.609 52.037 -0.036 0.000 0.885 256 A CB 0.669 19.670 19.000 0.002 0.000 0.933 256 A HN 0.347 nan 8.150 nan 0.000 0.506 257 G N -1.705 107.036 108.800 -0.097 0.000 2.355 257 G HA2 0.444 4.403 3.960 -0.000 0.000 0.296 257 G HA3 0.444 4.403 3.960 -0.000 0.000 0.296 257 G C -1.087 173.750 174.900 -0.105 0.000 1.507 257 G CA -0.774 44.251 45.100 -0.125 0.000 0.823 257 G HN -0.014 nan 8.290 nan 0.000 0.569 258 F N -0.495 119.448 119.950 -0.012 0.000 2.377 258 F HA 0.566 5.093 4.527 -0.000 0.000 0.335 258 F C 1.726 177.128 175.800 -0.664 0.000 1.099 258 F CA -0.781 57.105 58.000 -0.189 0.000 1.072 258 F CB 0.672 39.607 39.000 -0.107 0.000 1.417 258 F HN 0.417 nan 8.300 nan 0.000 0.495 259 L N 1.367 122.229 121.223 -0.603 0.000 2.013 259 L HA -0.211 4.128 4.340 -0.000 0.000 0.212 259 L C 2.450 179.166 176.870 -0.256 0.000 1.073 259 L CA 1.992 56.454 54.840 -0.629 0.000 0.753 259 L CB -1.050 40.850 42.059 -0.265 0.000 0.890 259 L HN 0.692 nan 8.230 nan 0.000 0.432 260 E N -1.038 119.097 120.200 -0.108 0.000 2.118 260 E HA -0.277 4.073 4.350 -0.000 0.000 0.195 260 E C 1.611 178.192 176.600 -0.032 0.000 0.992 260 E CA 1.830 58.204 56.400 -0.042 0.000 0.804 260 E CB -0.964 28.741 29.700 0.008 0.000 0.741 260 E HN 0.641 nan 8.360 nan 0.000 0.458 261 D N 0.838 121.227 120.400 -0.019 0.000 2.117 261 D HA -0.095 4.545 4.640 -0.000 0.000 0.197 261 D C 1.850 178.150 176.300 -0.001 0.000 0.987 261 D CA 1.860 55.857 54.000 -0.004 0.000 0.829 261 D CB -0.179 40.624 40.800 0.004 0.000 0.961 261 D HN 0.236 nan 8.370 nan 0.000 0.460 262 T N 1.625 116.182 114.554 0.004 0.000 2.746 262 T HA -0.088 4.262 4.350 -0.000 0.000 0.267 262 T C 2.273 176.965 174.700 -0.013 0.000 1.039 262 T CA 0.510 62.642 62.100 0.053 0.000 1.142 262 T CB -0.236 68.754 68.868 0.202 0.000 0.866 262 T HN 0.095 nan 8.240 nan 0.000 0.444 263 L N 0.221 121.406 121.223 -0.063 0.000 2.083 263 L HA -0.090 4.250 4.340 -0.000 0.000 0.209 263 L C 2.888 179.722 176.870 -0.061 0.000 1.083 263 L CA 1.350 56.129 54.840 -0.102 0.000 0.752 263 L CB -0.405 41.552 42.059 -0.170 0.000 0.899 263 L HN 0.146 nan 8.230 nan 0.000 0.433 264 R N -0.355 120.123 120.500 -0.036 0.000 2.091 264 R HA -0.180 4.160 4.340 -0.000 0.000 0.238 264 R C 2.415 178.704 176.300 -0.017 0.000 1.136 264 R CA 1.481 57.569 56.100 -0.019 0.000 0.959 264 R CB -0.434 29.861 30.300 -0.008 0.000 0.856 264 R HN 0.383 nan 8.270 nan 0.000 0.437 265 A N 0.818 123.629 122.820 -0.015 0.000 1.902 265 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 265 A C 2.104 179.675 177.584 -0.023 0.000 1.181 265 A CA 1.287 53.316 52.037 -0.015 0.000 0.623 265 A CB -0.461 18.534 19.000 -0.008 0.000 0.818 265 A HN 0.229 nan 8.150 nan 0.000 0.443 266 I N -0.823 119.729 120.570 -0.030 0.000 2.286 266 I HA -0.231 3.939 4.170 -0.000 0.000 0.248 266 I C 1.138 177.237 176.117 -0.031 0.000 1.115 266 I CA 1.162 62.441 61.300 -0.036 0.000 1.392 266 I CB -0.421 37.549 38.000 -0.050 0.000 1.065 266 I HN 0.596 nan 8.210 nan 0.000 0.418 267 N N 0.771 119.454 118.700 -0.029 0.000 2.738 267 N HA -0.230 4.509 4.740 -0.000 0.000 0.249 267 N C 0.850 176.351 175.510 -0.015 0.000 1.047 267 N CA 0.214 53.252 53.050 -0.019 0.000 0.707 267 N CB -0.789 37.689 38.487 -0.015 0.000 0.937 267 N HN 0.696 nan 8.380 nan 0.000 0.545 268 G N -0.511 108.279 108.800 -0.017 0.000 2.205 268 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.261 268 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.261 268 G C 0.257 175.150 174.900 -0.012 0.000 0.980 268 G CA 0.732 45.828 45.100 -0.008 0.000 0.632 268 G HN 0.606 nan 8.290 nan 0.000 0.533 269 R N -0.217 120.271 120.500 -0.019 0.000 2.679 269 R HA 0.476 4.816 4.340 -0.000 0.000 0.269 269 R C 0.656 176.942 176.300 -0.022 0.000 1.076 269 R CA -0.337 55.751 56.100 -0.020 0.000 1.160 269 R CB 0.881 31.168 30.300 -0.022 0.000 1.054 269 R HN 0.089 nan 8.270 nan 0.000 0.507 270 V N 3.444 123.345 119.914 -0.022 0.000 2.637 270 V HA 0.224 4.343 4.120 -0.000 0.000 0.296 270 V C 0.385 176.464 176.094 -0.025 0.000 1.046 270 V CA 0.261 62.547 62.300 -0.023 0.000 1.066 270 V CB 0.557 32.364 31.823 -0.026 0.000 0.968 270 V HN 0.579 nan 8.190 nan 0.000 0.483 271 I N 2.710 123.267 120.570 -0.021 0.000 2.841 271 I HA 0.393 4.563 4.170 -0.000 0.000 0.298 271 I C -0.675 175.455 176.117 0.022 0.000 1.304 271 I CA -0.637 60.653 61.300 -0.018 0.000 1.019 271 I CB 2.274 40.252 38.000 -0.036 0.000 1.282 271 I HN 0.808 nan 8.210 nan 0.000 0.432 272 H N 5.360 124.359 119.070 -0.118 0.000 2.705 272 H HA 0.330 4.886 4.556 -0.000 0.000 0.291 272 H C -0.781 174.456 175.328 -0.153 0.000 1.085 272 H CA -0.398 55.584 56.048 -0.109 0.000 1.357 272 H CB 1.082 30.775 29.762 -0.116 0.000 1.419 272 H HN 0.466 nan 8.280 nan 0.000 0.462 273 S N 6.151 121.988 115.700 0.228 0.000 2.416 273 S HA 0.144 4.614 4.470 -0.000 0.000 0.287 273 S C -0.332 174.413 174.600 0.242 0.000 1.139 273 S CA -0.736 57.535 58.200 0.118 0.000 1.058 273 S CB -0.301 62.956 63.200 0.095 0.000 0.967 273 S HN 0.401 nan 8.310 nan 0.000 0.495 274 F N 4.115 123.964 119.950 -0.169 0.000 2.444 274 F HA 0.221 4.748 4.527 -0.000 0.000 0.331 274 F C 1.363 176.946 175.800 -0.363 0.000 1.167 274 F CA -0.781 57.014 58.000 -0.342 0.000 1.262 274 F CB -0.188 38.414 39.000 -0.664 0.000 1.196 274 F HN 0.785 nan 8.300 nan 0.000 0.583 275 H N -0.910 118.344 119.070 0.306 0.000 2.000 275 H HA -0.150 4.405 4.556 -0.000 0.000 0.321 275 H C 0.780 176.167 175.328 0.098 0.000 0.878 275 H CA 0.414 56.553 56.048 0.152 0.000 1.061 275 H CB -1.870 27.955 29.762 0.104 0.000 1.579 275 H HN 0.340 nan 8.280 nan 0.000 0.316 276 V N 0.185 120.224 119.914 0.207 0.000 2.594 276 V HA -0.250 3.870 4.120 -0.000 0.000 0.253 276 V C 2.481 178.627 176.094 0.087 0.000 1.069 276 V CA 2.346 64.728 62.300 0.136 0.000 1.082 276 V CB -0.141 31.736 31.823 0.091 0.000 0.680 276 V HN 0.811 nan 8.190 nan 0.000 0.469 277 E N 0.147 120.393 120.200 0.076 0.000 2.110 277 E HA -0.114 4.235 4.350 -0.000 0.000 0.193 277 E C 1.750 178.337 176.600 -0.022 0.000 0.988 277 E CA 1.429 57.837 56.400 0.014 0.000 0.804 277 E CB -0.101 29.604 29.700 0.008 0.000 0.745 277 E HN 0.738 nan 8.360 nan 0.000 0.458 278 G N -0.571 108.225 108.800 -0.006 0.000 2.218 278 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.216 278 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.216 278 G C 1.246 176.046 174.900 -0.167 0.000 0.994 278 G CA 0.709 45.758 45.100 -0.086 0.000 0.637 278 G HN 0.565 nan 8.290 nan 0.000 0.505 279 A N 0.633 123.377 122.820 -0.126 0.000 1.940 279 A HA 0.319 4.639 4.320 -0.000 0.000 0.219 279 A C 2.644 180.135 177.584 -0.155 0.000 1.176 279 A CA 2.426 54.398 52.037 -0.109 0.000 0.631 279 A CB -0.843 18.147 19.000 -0.017 0.000 0.814 279 A HN 1.592 nan 8.150 nan 0.000 0.446 280 G N -1.578 107.065 108.800 -0.263 0.000 2.650 280 G HA2 0.420 4.380 3.960 -0.000 0.000 0.214 280 G HA3 0.420 4.380 3.960 -0.000 0.000 0.214 280 G C 0.718 175.055 174.900 -0.938 0.000 1.136 280 G CA 0.833 45.621 45.100 -0.520 0.000 0.789 280 G HN 1.649 nan 8.290 nan 0.000 0.536 281 G N -2.418 105.891 108.800 -0.818 0.000 2.326 281 G HA2 0.575 4.534 3.960 -0.000 0.000 0.478 281 G HA3 0.575 4.534 3.960 -0.000 0.000 0.478 281 G C -0.342 174.214 174.900 -0.573 0.000 1.551 281 G CA -0.043 44.616 45.100 -0.734 0.000 0.946 281 G HN 1.781 nan 8.290 nan 0.000 0.671 282 G N 0.143 108.738 108.800 -0.342 0.000 2.317 282 G HA2 0.486 4.446 3.960 -0.000 0.000 0.445 282 G HA3 0.486 4.446 3.960 -0.000 0.000 0.445 282 G C -0.451 174.402 174.900 -0.079 0.000 1.486 282 G CA -0.335 44.655 45.100 -0.183 0.000 0.991 282 G HN 1.535 nan 8.290 nan 0.000 0.660 283 H N -0.058 119.022 119.070 0.017 0.000 3.188 283 H HA 0.161 4.716 4.556 -0.000 0.000 0.255 283 H C 1.143 176.470 175.328 -0.002 0.000 0.815 283 H CA 1.535 57.614 56.048 0.051 0.000 1.436 283 H CB 0.102 29.909 29.762 0.075 0.000 1.378 283 H HN 1.032 nan 8.280 nan 0.000 0.510 284 A N 7.022 129.906 122.820 0.107 0.000 2.328 284 A HA 0.289 4.609 4.320 -0.000 0.000 0.284 284 A C -1.376 176.198 177.584 -0.016 0.000 1.160 284 A CA -1.248 50.774 52.037 -0.025 0.000 0.818 284 A CB 0.682 19.650 19.000 -0.053 0.000 1.087 284 A HN 0.500 nan 8.150 nan 0.000 0.504 285 P HA 0.132 nan 4.420 nan 0.000 0.272 285 P C -0.406 176.770 177.300 -0.206 0.000 1.408 285 P CA 0.246 63.147 63.100 -0.331 0.000 0.996 285 P CB 0.504 31.765 31.700 -0.731 0.000 1.481 286 D N -0.945 119.403 120.400 -0.087 0.000 2.462 286 D HA 0.011 4.651 4.640 -0.000 0.000 0.221 286 D C 1.417 177.714 176.300 -0.005 0.000 1.173 286 D CA -0.607 53.361 54.000 -0.054 0.000 0.831 286 D CB -0.538 40.228 40.800 -0.056 0.000 1.001 286 D HN -0.039 nan 8.370 nan 0.000 0.499 287 I N 0.738 121.323 120.570 0.026 0.000 2.248 287 I HA -0.216 3.953 4.170 -0.000 0.000 0.248 287 I C 2.088 178.231 176.117 0.043 0.000 1.107 287 I CA 1.300 62.641 61.300 0.068 0.000 1.373 287 I CB -0.194 37.851 38.000 0.074 0.000 1.055 287 I HN 0.062 nan 8.210 nan 0.000 0.418 288 M N -0.186 119.421 119.600 0.013 0.000 2.446 288 M HA -0.155 4.324 4.480 -0.000 0.000 0.263 288 M C 2.052 178.366 176.300 0.023 0.000 1.066 288 M CA 1.570 56.877 55.300 0.012 0.000 1.087 288 M CB -0.181 32.410 32.600 -0.016 0.000 1.406 288 M HN 0.385 nan 8.290 nan 0.000 0.459 289 A N 0.326 123.165 122.820 0.031 0.000 2.024 289 A HA -0.197 4.123 4.320 -0.000 0.000 0.220 289 A C 1.969 179.641 177.584 0.147 0.000 1.164 289 A CA 1.348 53.422 52.037 0.062 0.000 0.643 289 A CB -0.581 18.453 19.000 0.056 0.000 0.806 289 A HN 0.539 nan 8.150 nan 0.000 0.451 290 M N -0.376 119.291 119.600 0.112 0.000 2.146 290 M HA -0.271 4.208 4.480 -0.000 0.000 0.256 290 M C 2.281 178.676 176.300 0.158 0.000 1.075 290 M CA 1.799 57.167 55.300 0.113 0.000 1.082 290 M CB -1.351 31.281 32.600 0.052 0.000 1.355 290 M HN 0.519 nan 8.290 nan 0.000 0.402 291 A N -0.539 122.335 122.820 0.089 0.000 2.248 291 A HA 0.148 4.468 4.320 -0.000 0.000 0.210 291 A C 2.214 179.816 177.584 0.030 0.000 1.174 291 A CA 1.408 53.469 52.037 0.041 0.000 0.750 291 A CB -1.045 17.950 19.000 -0.008 0.000 0.780 291 A HN 0.578 nan 8.150 nan 0.000 0.478 292 G N -1.747 107.083 108.800 0.050 0.000 2.744 292 G HA2 0.113 4.073 3.960 -0.000 0.000 0.211 292 G HA3 0.113 4.073 3.960 -0.000 0.000 0.211 292 G C 0.607 175.442 174.900 -0.108 0.000 1.146 292 G CA -0.201 44.865 45.100 -0.056 0.000 0.787 292 G HN 0.660 nan 8.290 nan 0.000 0.534 293 H N 0.582 119.639 119.070 -0.021 0.000 2.511 293 H HA 0.126 4.681 4.556 -0.000 0.000 0.346 293 H C -1.363 173.950 175.328 -0.024 0.000 1.128 293 H CA -1.399 54.637 56.048 -0.020 0.000 1.342 293 H CB 2.320 32.073 29.762 -0.015 0.000 1.470 293 H HN 0.031 nan 8.280 nan 0.000 0.546 294 P HA -0.115 nan 4.420 nan 0.000 0.225 294 P C 0.784 178.099 177.300 0.026 0.000 1.156 294 P CA 0.959 64.076 63.100 0.028 0.000 0.787 294 P CB 0.336 32.043 31.700 0.012 0.000 0.802 295 N N -0.238 118.491 118.700 0.047 0.000 2.336 295 N HA 0.031 4.771 4.740 -0.000 0.000 0.189 295 N C -0.082 175.431 175.510 0.004 0.000 1.113 295 N CA 0.039 53.098 53.050 0.015 0.000 0.858 295 N CB -0.141 38.351 38.487 0.009 0.000 0.970 295 N HN -0.032 nan 8.380 nan 0.000 0.471 296 V N 1.851 121.778 119.914 0.022 0.000 2.435 296 V HA 0.336 4.455 4.120 -0.000 0.000 0.290 296 V C 0.099 176.187 176.094 -0.010 0.000 1.030 296 V CA -0.775 61.532 62.300 0.012 0.000 0.881 296 V CB 1.855 33.699 31.823 0.034 0.000 0.983 296 V HN 0.105 nan 8.190 nan 0.000 0.445 297 L N 7.920 129.123 121.223 -0.034 0.000 2.272 297 L HA 0.432 4.771 4.340 -0.000 0.000 0.284 297 L C -2.407 174.419 176.870 -0.074 0.000 1.045 297 L CA -1.495 53.283 54.840 -0.103 0.000 0.842 297 L CB 1.306 43.248 42.059 -0.195 0.000 1.224 297 L HN 0.424 nan 8.230 nan 0.000 0.430 298 P HA 0.256 nan 4.420 nan 0.000 0.296 298 P C -0.863 176.474 177.300 0.061 0.000 1.306 298 P CA -0.406 62.720 63.100 0.044 0.000 0.818 298 P CB 1.816 33.520 31.700 0.006 0.000 0.969 299 S N 1.521 117.349 115.700 0.213 0.000 2.566 299 S HA 0.674 5.144 4.470 -0.000 0.000 0.298 299 S C -0.272 174.461 174.600 0.222 0.000 1.083 299 S CA -0.656 57.692 58.200 0.247 0.000 0.978 299 S CB 1.087 64.558 63.200 0.452 0.000 1.073 299 S HN 0.266 nan 8.310 nan 0.000 0.491 300 S N 1.767 117.606 115.700 0.232 0.000 2.617 300 S HA 0.727 5.197 4.470 -0.000 0.000 0.283 300 S C 0.437 175.120 174.600 0.138 0.000 1.189 300 S CA -0.713 57.620 58.200 0.222 0.000 1.036 300 S CB 1.324 64.730 63.200 0.343 0.000 1.014 300 S HN 0.987 nan 8.310 nan 0.000 0.522 301 T N -0.161 114.456 114.554 0.105 0.000 2.862 301 T HA 0.309 4.658 4.350 -0.000 0.000 0.276 301 T C 0.902 175.613 174.700 0.018 0.000 0.974 301 T CA -0.738 61.363 62.100 0.002 0.000 0.966 301 T CB 0.445 69.278 68.868 -0.057 0.000 1.072 301 T HN 0.579 nan 8.240 nan 0.000 0.538 302 N N -0.151 118.537 118.700 -0.021 0.000 2.373 302 N HA 0.086 4.826 4.740 -0.000 0.000 0.181 302 N C -1.116 174.409 175.510 0.025 0.000 1.082 302 N CA -0.426 52.617 53.050 -0.012 0.000 0.885 302 N CB -1.126 37.334 38.487 -0.044 0.000 0.977 302 N HN 0.425 nan 8.380 nan 0.000 0.462 303 P HA -0.039 nan 4.420 nan 0.000 0.221 303 P C 0.908 178.358 177.300 0.250 0.000 1.150 303 P CA 1.412 64.605 63.100 0.156 0.000 0.800 303 P CB -0.245 31.530 31.700 0.126 0.000 0.787 304 T N -3.430 111.215 114.554 0.153 0.000 3.148 304 T HA 0.080 4.429 4.350 -0.000 0.000 0.253 304 T C 0.923 175.648 174.700 0.041 0.000 1.134 304 T CA -0.069 62.029 62.100 -0.003 0.000 1.051 304 T CB -0.378 68.464 68.868 -0.044 0.000 0.959 304 T HN -0.044 nan 8.240 nan 0.000 0.525 305 R N 2.698 123.227 120.500 0.049 0.000 2.229 305 R HA 0.449 4.788 4.340 -0.000 0.000 0.332 305 R C -2.705 173.615 176.300 0.034 0.000 0.989 305 R CA -2.283 53.834 56.100 0.029 0.000 0.842 305 R CB 1.158 31.442 30.300 -0.026 0.000 1.119 305 R HN 0.311 nan 8.270 nan 0.000 0.456 306 P HA 0.219 nan 4.420 nan 0.000 0.321 306 P C -0.603 176.791 177.300 0.157 0.000 1.304 306 P CA -0.729 62.427 63.100 0.094 0.000 0.759 306 P CB 0.548 32.299 31.700 0.084 0.000 1.385 307 F N 1.559 121.508 119.950 -0.002 0.000 2.466 307 F HA 0.335 4.862 4.527 -0.000 0.000 0.363 307 F C 0.262 176.058 175.800 -0.007 0.000 1.109 307 F CA 0.118 58.108 58.000 -0.017 0.000 1.161 307 F CB -0.732 38.263 39.000 -0.008 0.000 1.117 307 F HN 0.258 nan 8.300 nan 0.000 0.539 308 T N 2.255 116.716 114.554 -0.155 0.000 2.888 308 T HA 0.441 4.791 4.350 -0.000 0.000 0.288 308 T C 1.025 175.528 174.700 -0.329 0.000 1.063 308 T CA -0.176 61.771 62.100 -0.255 0.000 1.010 308 T CB 1.113 69.934 68.868 -0.078 0.000 1.214 308 T HN 0.556 nan 8.240 nan 0.000 0.533 309 V N -0.316 119.456 119.914 -0.236 0.000 2.626 309 V HA -0.013 4.107 4.120 -0.000 0.000 0.252 309 V C 1.734 177.781 176.094 -0.078 0.000 1.067 309 V CA 1.416 63.610 62.300 -0.176 0.000 1.081 309 V CB -1.109 30.644 31.823 -0.117 0.000 0.686 309 V HN 0.802 nan 8.190 nan 0.000 0.468 310 N N 0.248 118.925 118.700 -0.039 0.000 2.353 310 N HA 0.012 4.752 4.740 -0.000 0.000 0.185 310 N C 1.691 177.237 175.510 0.059 0.000 1.098 310 N CA 1.150 54.207 53.050 0.012 0.000 0.872 310 N CB 0.174 38.672 38.487 0.019 0.000 0.970 310 N HN 0.539 nan 8.380 nan 0.000 0.467 311 T N 2.079 116.669 114.554 0.060 0.000 2.652 311 T HA -0.064 4.285 4.350 -0.000 0.000 0.267 311 T C 1.952 176.724 174.700 0.120 0.000 1.039 311 T CA 0.741 62.903 62.100 0.103 0.000 1.153 311 T CB 0.087 69.018 68.868 0.106 0.000 0.863 311 T HN 0.091 nan 8.240 nan 0.000 0.428 312 I N 1.710 122.348 120.570 0.113 0.000 2.163 312 I HA -0.108 4.061 4.170 -0.000 0.000 0.240 312 I C 2.260 178.441 176.117 0.106 0.000 1.081 312 I CA 1.344 62.704 61.300 0.100 0.000 1.353 312 I CB -1.293 36.778 38.000 0.118 0.000 1.054 312 I HN 0.193 nan 8.210 nan 0.000 0.407 313 D N 0.636 121.087 120.400 0.086 0.000 2.123 313 D HA -0.239 4.401 4.640 -0.000 0.000 0.196 313 D C 2.100 178.445 176.300 0.075 0.000 0.992 313 D CA 1.335 55.374 54.000 0.066 0.000 0.833 313 D CB -0.155 40.672 40.800 0.045 0.000 0.954 313 D HN 0.494 nan 8.370 nan 0.000 0.455 314 E N -0.134 120.130 120.200 0.107 0.000 2.051 314 E HA -0.213 4.137 4.350 -0.000 0.000 0.192 314 E C 1.824 178.471 176.600 0.077 0.000 0.991 314 E CA 1.055 57.511 56.400 0.093 0.000 0.799 314 E CB -0.005 29.772 29.700 0.128 0.000 0.748 314 E HN 0.334 nan 8.360 nan 0.000 0.449 315 H N 0.307 119.377 119.070 -0.000 0.000 2.395 315 H HA 0.024 4.580 4.556 -0.000 0.000 0.299 315 H C 2.104 177.416 175.328 -0.025 0.000 1.070 315 H CA 1.259 57.298 56.048 -0.016 0.000 1.356 315 H CB -0.098 29.653 29.762 -0.017 0.000 1.401 315 H HN 0.135 nan 8.280 nan 0.000 0.524 316 L N -0.197 121.086 121.223 0.101 0.000 2.017 316 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 316 L C 2.061 178.943 176.870 0.021 0.000 1.073 316 L CA 1.785 56.649 54.840 0.040 0.000 0.745 316 L CB -0.224 41.857 42.059 0.037 0.000 0.894 316 L HN 0.277 nan 8.230 nan 0.000 0.432 317 D N -0.580 119.832 120.400 0.019 0.000 2.123 317 D HA -0.229 4.411 4.640 -0.000 0.000 0.200 317 D C 2.298 178.586 176.300 -0.020 0.000 0.976 317 D CA 0.847 54.848 54.000 0.002 0.000 0.831 317 D CB 0.080 40.881 40.800 0.002 0.000 0.974 317 D HN 0.134 nan 8.370 nan 0.000 0.469 318 M N -0.246 119.327 119.600 -0.045 0.000 2.082 318 M HA -0.188 4.292 4.480 -0.000 0.000 0.258 318 M C 1.860 178.130 176.300 -0.050 0.000 1.069 318 M CA 1.254 56.504 55.300 -0.082 0.000 1.102 318 M CB -0.097 32.400 32.600 -0.173 0.000 1.336 318 M HN 0.194 nan 8.290 nan 0.000 0.404 319 L N 0.776 121.982 121.223 -0.029 0.000 2.046 319 L HA -0.208 4.131 4.340 -0.000 0.000 0.208 319 L C 2.226 179.134 176.870 0.064 0.000 1.077 319 L CA 1.748 56.596 54.840 0.013 0.000 0.747 319 L CB -0.550 41.490 42.059 -0.031 0.000 0.896 319 L HN 0.361 nan 8.230 nan 0.000 0.432 320 M N -1.696 117.928 119.600 0.040 0.000 2.159 320 M HA -0.145 4.334 4.480 -0.000 0.000 0.263 320 M C 2.253 178.556 176.300 0.005 0.000 1.063 320 M CA 1.341 56.672 55.300 0.052 0.000 1.110 320 M CB -1.283 31.337 32.600 0.033 0.000 1.374 320 M HN 0.142 nan 8.290 nan 0.000 0.411 321 V N 0.672 120.561 119.914 -0.042 0.000 2.255 321 V HA -0.260 3.860 4.120 -0.000 0.000 0.243 321 V C 2.742 178.700 176.094 -0.226 0.000 1.038 321 V CA 2.014 64.239 62.300 -0.126 0.000 1.008 321 V CB -0.846 30.918 31.823 -0.100 0.000 0.645 321 V HN 0.709 nan 8.190 nan 0.000 0.449 322 C N -0.868 118.364 119.300 -0.113 0.000 2.432 322 C HA -0.101 4.359 4.460 -0.000 0.000 0.280 322 C C 2.329 177.302 174.990 -0.028 0.000 1.353 322 C CA 0.562 59.519 59.018 -0.101 0.000 1.766 322 C CB -1.749 25.979 27.740 -0.021 0.000 1.924 322 C HN 0.657 nan 8.230 nan 0.000 0.509 323 H N -0.563 118.486 119.070 -0.035 0.000 2.551 323 H HA 0.063 4.619 4.556 -0.000 0.000 0.271 323 H C 0.114 175.527 175.328 0.141 0.000 0.984 323 H CA 0.602 56.700 56.048 0.084 0.000 1.164 323 H CB -0.182 29.658 29.762 0.130 0.000 1.437 323 H HN 0.698 nan 8.280 nan 0.000 0.550 324 H N -0.819 118.295 119.070 0.074 0.000 2.741 324 H HA -0.155 4.401 4.556 -0.000 0.000 0.305 324 H C -0.106 175.253 175.328 0.051 0.000 1.169 324 H CA 0.368 56.436 56.048 0.033 0.000 1.144 324 H CB -2.126 27.628 29.762 -0.013 0.000 1.397 324 H HN 0.302 nan 8.280 nan 0.000 0.409 325 L N -0.006 121.304 121.223 0.145 0.000 2.417 325 L HA 0.216 4.556 4.340 -0.000 0.000 0.268 325 L C 0.739 177.660 176.870 0.085 0.000 1.158 325 L CA -0.078 54.836 54.840 0.124 0.000 0.819 325 L CB 0.746 42.897 42.059 0.153 0.000 1.112 325 L HN -0.007 nan 8.230 nan 0.000 0.458 326 K N 0.999 121.443 120.400 0.073 0.000 2.182 326 K HA 0.206 4.525 4.320 -0.000 0.000 0.262 326 K C 0.509 177.140 176.600 0.052 0.000 0.957 326 K CA -0.763 55.556 56.287 0.055 0.000 0.842 326 K CB 1.830 34.357 32.500 0.045 0.000 1.099 326 K HN 0.532 nan 8.250 nan 0.000 0.438 327 Q N 1.169 120.995 119.800 0.042 0.000 2.291 327 Q HA -0.156 4.184 4.340 -0.000 0.000 0.206 327 Q C 1.211 177.232 176.000 0.036 0.000 0.976 327 Q CA 1.710 57.536 55.803 0.039 0.000 0.875 327 Q CB -0.175 28.581 28.738 0.030 0.000 0.927 327 Q HN 0.747 nan 8.270 nan 0.000 0.450 328 N N -0.228 118.491 118.700 0.032 0.000 2.398 328 N HA 0.011 4.751 4.740 -0.000 0.000 0.188 328 N C 0.247 175.774 175.510 0.030 0.000 1.122 328 N CA 0.183 53.250 53.050 0.028 0.000 0.866 328 N CB 0.068 38.568 38.487 0.023 0.000 0.970 328 N HN 0.130 nan 8.380 nan 0.000 0.462 329 I N 1.920 122.511 120.570 0.036 0.000 2.337 329 I HA 0.222 4.391 4.170 -0.000 0.000 0.285 329 I C -1.389 174.757 176.117 0.047 0.000 1.041 329 I CA -2.209 59.114 61.300 0.037 0.000 1.199 329 I CB 1.824 39.845 38.000 0.036 0.000 1.370 329 I HN -0.153 nan 8.210 nan 0.000 0.470 330 P HA -0.197 nan 4.420 nan 0.000 0.219 330 P C 1.004 178.344 177.300 0.066 0.000 1.146 330 P CA 1.354 64.484 63.100 0.050 0.000 0.808 330 P CB 0.124 31.848 31.700 0.040 0.000 0.779 331 E N 0.160 120.398 120.200 0.064 0.000 2.152 331 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 331 E C 1.280 177.952 176.600 0.121 0.000 0.983 331 E CA 0.947 57.397 56.400 0.082 0.000 0.818 331 E CB -1.065 28.670 29.700 0.058 0.000 0.758 331 E HN 0.211 nan 8.360 nan 0.000 0.467 332 D N 1.459 121.921 120.400 0.104 0.000 2.097 332 D HA -0.097 4.542 4.640 -0.000 0.000 0.195 332 D C 2.234 178.649 176.300 0.192 0.000 0.989 332 D CA 1.034 55.123 54.000 0.149 0.000 0.827 332 D CB -0.240 40.623 40.800 0.105 0.000 0.966 332 D HN 0.041 nan 8.370 nan 0.000 0.456 333 V N 1.297 121.284 119.914 0.122 0.000 2.295 333 V HA -0.254 3.865 4.120 -0.000 0.000 0.246 333 V C 2.487 178.638 176.094 0.096 0.000 1.049 333 V CA 1.886 64.243 62.300 0.095 0.000 1.024 333 V CB -0.830 31.032 31.823 0.065 0.000 0.648 333 V HN 0.199 nan 8.190 nan 0.000 0.447 334 A N -0.327 122.559 122.820 0.110 0.000 1.908 334 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 334 A C 2.121 179.781 177.584 0.127 0.000 1.181 334 A CA 2.154 54.256 52.037 0.108 0.000 0.627 334 A CB -0.756 18.311 19.000 0.111 0.000 0.818 334 A HN 0.575 nan 8.150 nan 0.000 0.445 335 F N 1.179 121.144 119.950 0.025 0.000 2.095 335 F HA -0.091 4.436 4.527 -0.000 0.000 0.298 335 F C 2.449 178.237 175.800 -0.019 0.000 1.104 335 F CA 1.365 59.367 58.000 0.005 0.000 1.232 335 F CB -0.593 38.403 39.000 -0.007 0.000 0.987 335 F HN 0.242 nan 8.300 nan 0.000 0.475 336 A N 0.159 122.866 122.820 -0.189 0.000 1.902 336 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 336 A C 1.948 179.411 177.584 -0.203 0.000 1.181 336 A CA 2.027 53.895 52.037 -0.282 0.000 0.623 336 A CB -1.083 17.888 19.000 -0.048 0.000 0.818 336 A HN 0.486 nan 8.150 nan 0.000 0.443 337 D N -0.138 120.218 120.400 -0.074 0.000 2.178 337 D HA -0.095 4.544 4.640 -0.000 0.000 0.202 337 D C 2.348 178.667 176.300 0.032 0.000 0.974 337 D CA 1.594 55.593 54.000 -0.001 0.000 0.841 337 D CB -0.255 40.571 40.800 0.044 0.000 0.953 337 D HN 0.596 nan 8.370 nan 0.000 0.478 338 S N -0.386 115.294 115.700 -0.033 0.000 2.489 338 S HA -0.030 4.439 4.470 -0.000 0.000 0.228 338 S C 1.856 176.299 174.600 -0.262 0.000 0.995 338 S CA 0.307 58.476 58.200 -0.052 0.000 0.934 338 S CB 0.294 63.488 63.200 -0.010 0.000 0.771 338 S HN 0.120 nan 8.310 nan 0.000 0.522 339 R N 0.059 120.359 120.500 -0.334 0.000 2.167 339 R HA 0.327 4.666 4.340 -0.000 0.000 0.201 339 R C -0.232 175.913 176.300 -0.258 0.000 1.024 339 R CA 0.264 56.139 56.100 -0.375 0.000 1.053 339 R CB 0.234 30.167 30.300 -0.611 0.000 0.987 339 R HN 0.302 nan 8.270 nan 0.000 0.493 340 I N 3.232 123.686 120.570 -0.192 0.000 2.287 340 I HA 0.282 4.451 4.170 -0.000 0.000 0.290 340 I C -0.762 175.310 176.117 -0.076 0.000 1.069 340 I CA -0.145 61.088 61.300 -0.112 0.000 1.237 340 I CB 0.967 38.937 38.000 -0.051 0.000 1.418 340 I HN 0.157 nan 8.210 nan 0.000 0.481 341 R N 7.813 128.252 120.500 -0.102 0.000 2.451 341 R HA 0.367 4.707 4.340 -0.000 0.000 0.307 341 R C -1.776 174.452 176.300 -0.120 0.000 0.965 341 R CA -1.402 54.670 56.100 -0.046 0.000 0.865 341 R CB 2.013 32.271 30.300 -0.070 0.000 1.174 341 R HN 0.242 nan 8.270 nan 0.000 0.455 342 P HA -0.156 nan 4.420 nan 0.000 0.220 342 P C 0.217 177.317 177.300 -0.333 0.000 1.148 342 P CA 1.225 64.168 63.100 -0.262 0.000 0.803 342 P CB 0.517 32.206 31.700 -0.019 0.000 0.782 343 E N -0.128 119.995 120.200 -0.128 0.000 2.072 343 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 343 E C 2.155 178.679 176.600 -0.127 0.000 0.985 343 E CA 2.160 58.510 56.400 -0.083 0.000 0.801 343 E CB -1.284 28.437 29.700 0.035 0.000 0.750 343 E HN 0.408 nan 8.360 nan 0.000 0.452 344 T N -1.452 113.021 114.554 -0.135 0.000 2.978 344 T HA 0.057 4.407 4.350 -0.000 0.000 0.262 344 T C 1.991 176.580 174.700 -0.184 0.000 1.063 344 T CA 0.397 62.416 62.100 -0.136 0.000 1.140 344 T CB -0.243 68.547 68.868 -0.130 0.000 0.886 344 T HN 0.023 nan 8.240 nan 0.000 0.470 345 I N 1.848 122.242 120.570 -0.294 0.000 2.252 345 I HA -0.029 4.141 4.170 -0.000 0.000 0.245 345 I C 3.180 179.056 176.117 -0.401 0.000 1.102 345 I CA 1.074 62.165 61.300 -0.348 0.000 1.385 345 I CB -0.524 37.199 38.000 -0.462 0.000 1.064 345 I HN 0.323 nan 8.210 nan 0.000 0.414 346 A N 0.814 123.259 122.820 -0.625 0.000 1.902 346 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 346 A C 2.531 180.056 177.584 -0.098 0.000 1.181 346 A CA 1.876 53.697 52.037 -0.361 0.000 0.623 346 A CB -0.828 17.994 19.000 -0.296 0.000 0.818 346 A HN 0.425 nan 8.150 nan 0.000 0.443 347 A N -0.475 122.283 122.820 -0.104 0.000 1.972 347 A HA -0.165 4.154 4.320 -0.000 0.000 0.219 347 A C 2.009 179.588 177.584 -0.008 0.000 1.169 347 A CA 1.718 53.733 52.037 -0.036 0.000 0.635 347 A CB -0.511 18.463 19.000 -0.042 0.000 0.810 347 A HN 0.688 nan 8.150 nan 0.000 0.446 348 E N -0.043 120.148 120.200 -0.016 0.000 2.085 348 E HA -0.262 4.088 4.350 -0.000 0.000 0.194 348 E C 1.239 177.933 176.600 0.157 0.000 0.994 348 E CA 1.405 57.831 56.400 0.044 0.000 0.801 348 E CB -0.165 29.564 29.700 0.047 0.000 0.743 348 E HN 0.528 nan 8.360 nan 0.000 0.453 349 D N 0.500 120.985 120.400 0.143 0.000 2.106 349 D HA -0.197 4.443 4.640 -0.000 0.000 0.191 349 D C 2.005 178.423 176.300 0.196 0.000 0.997 349 D CA 1.328 55.444 54.000 0.193 0.000 0.834 349 D CB -0.275 40.627 40.800 0.170 0.000 0.956 349 D HN 0.320 nan 8.370 nan 0.000 0.448 350 I N 0.304 120.951 120.570 0.129 0.000 2.252 350 I HA -0.202 3.968 4.170 -0.000 0.000 0.245 350 I C 2.368 178.534 176.117 0.082 0.000 1.102 350 I CA 0.543 61.908 61.300 0.109 0.000 1.385 350 I CB -0.136 37.908 38.000 0.074 0.000 1.064 350 I HN -0.020 nan 8.210 nan 0.000 0.414 351 L N -0.332 120.912 121.223 0.035 0.000 2.131 351 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 351 L C 2.505 179.323 176.870 -0.086 0.000 1.092 351 L CA 1.457 56.275 54.840 -0.037 0.000 0.759 351 L CB -0.880 41.124 42.059 -0.090 0.000 0.903 351 L HN 0.305 nan 8.230 nan 0.000 0.435 352 H N -0.859 118.203 119.070 -0.014 0.000 2.357 352 H HA -0.191 4.364 4.556 -0.000 0.000 0.301 352 H C 1.935 177.160 175.328 -0.172 0.000 1.082 352 H CA 1.758 57.742 56.048 -0.107 0.000 1.342 352 H CB 0.104 29.824 29.762 -0.070 0.000 1.389 352 H HN 0.214 nan 8.280 nan 0.000 0.511 353 D N -0.217 120.269 120.400 0.144 0.000 2.219 353 D HA -0.078 4.562 4.640 -0.000 0.000 0.205 353 D C 1.398 177.782 176.300 0.139 0.000 0.970 353 D CA 0.614 54.734 54.000 0.200 0.000 0.851 353 D CB 0.073 41.035 40.800 0.270 0.000 0.943 353 D HN 0.313 nan 8.370 nan 0.000 0.488 354 L N -1.314 119.959 121.223 0.084 0.000 2.592 354 L HA 0.264 4.604 4.340 -0.000 0.000 0.227 354 L C 1.405 178.312 176.870 0.062 0.000 1.127 354 L CA 0.345 55.234 54.840 0.081 0.000 0.884 354 L CB 0.130 42.219 42.059 0.051 0.000 1.065 354 L HN 0.179 nan 8.230 nan 0.000 0.457 355 G N 0.445 109.251 108.800 0.009 0.000 2.147 355 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.244 355 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.244 355 G C 0.648 175.525 174.900 -0.038 0.000 1.005 355 G CA 0.450 45.545 45.100 -0.007 0.000 0.713 355 G HN 0.392 nan 8.290 nan 0.000 0.515 356 I N -0.380 120.146 120.570 -0.072 0.000 3.081 356 I HA 0.290 4.459 4.170 -0.000 0.000 0.274 356 I C 1.237 177.273 176.117 -0.135 0.000 1.178 356 I CA 0.424 61.675 61.300 -0.081 0.000 1.460 356 I CB 0.151 38.114 38.000 -0.063 0.000 1.137 356 I HN 0.160 nan 8.210 nan 0.000 0.443 357 I N 0.325 120.742 120.570 -0.254 0.000 2.336 357 I HA 0.128 4.297 4.170 -0.000 0.000 0.292 357 I C 0.828 176.802 176.117 -0.238 0.000 0.991 357 I CA 0.033 61.134 61.300 -0.332 0.000 1.227 357 I CB 1.676 39.252 38.000 -0.707 0.000 1.366 357 I HN -0.066 nan 8.210 nan 0.000 0.466 358 S N 5.583 121.211 115.700 -0.119 0.000 2.503 358 S HA 0.331 4.800 4.470 -0.000 0.000 0.215 358 S C 0.397 174.978 174.600 -0.031 0.000 1.003 358 S CA 0.313 58.467 58.200 -0.077 0.000 0.910 358 S CB 0.170 63.317 63.200 -0.089 0.000 0.790 358 S HN 0.549 nan 8.310 nan 0.000 0.514 359 M N 0.936 120.554 119.600 0.030 0.000 2.531 359 M HA 0.485 4.965 4.480 -0.000 0.000 0.286 359 M C -1.254 175.154 176.300 0.180 0.000 1.232 359 M CA -0.324 55.020 55.300 0.073 0.000 0.877 359 M CB 2.157 34.772 32.600 0.025 0.000 1.726 359 M HN 0.016 nan 8.290 nan 0.000 0.463 360 M N 1.109 120.796 119.600 0.144 0.000 2.762 360 M HA 0.773 5.253 4.480 -0.000 0.000 0.306 360 M C -0.340 176.025 176.300 0.108 0.000 1.223 360 M CA -0.403 54.968 55.300 0.119 0.000 0.896 360 M CB 2.079 34.716 32.600 0.061 0.000 1.684 360 M HN 0.888 nan 8.290 nan 0.000 0.491 361 S N -1.057 114.676 115.700 0.055 0.000 2.636 361 S HA 0.501 4.970 4.470 -0.000 0.000 0.266 361 S C 0.135 174.705 174.600 -0.050 0.000 1.147 361 S CA -0.037 58.174 58.200 0.019 0.000 0.815 361 S CB 1.235 64.439 63.200 0.007 0.000 1.119 361 S HN 0.763 nan 8.310 nan 0.000 0.470 362 T N -2.631 111.872 114.554 -0.084 0.000 2.988 362 T HA 0.251 4.601 4.350 -0.000 0.000 0.240 362 T C 0.405 174.984 174.700 -0.202 0.000 1.014 362 T CA 1.145 63.178 62.100 -0.111 0.000 1.155 362 T CB -0.740 68.081 68.868 -0.080 0.000 0.872 362 T HN 0.937 nan 8.240 nan 0.000 0.440 363 D N 1.614 121.815 120.400 -0.332 0.000 2.873 363 D HA -0.117 4.523 4.640 -0.000 0.000 0.228 363 D C 0.135 176.368 176.300 -0.112 0.000 1.122 363 D CA 0.718 54.462 54.000 -0.426 0.000 0.758 363 D CB -1.600 38.895 40.800 -0.508 0.000 1.094 363 D HN 0.914 nan 8.370 nan 0.000 0.434 364 A N 0.426 123.221 122.820 -0.042 0.000 2.561 364 A HA 0.314 4.634 4.320 -0.000 0.000 0.251 364 A C 1.867 179.420 177.584 -0.052 0.000 1.062 364 A CA 1.026 53.033 52.037 -0.050 0.000 0.761 364 A CB -0.116 18.852 19.000 -0.053 0.000 0.986 364 A HN 0.890 nan 8.150 nan 0.000 0.510 365 L N -0.368 120.799 121.223 -0.093 0.000 5.051 365 L HA -0.379 3.961 4.340 -0.000 0.000 0.432 365 L C 1.657 178.413 176.870 -0.191 0.000 1.055 365 L CA 1.031 55.806 54.840 -0.108 0.000 1.095 365 L CB -1.832 40.192 42.059 -0.058 0.000 1.957 365 L HN 0.881 nan 8.230 nan 0.000 0.727 366 A N -0.947 121.688 122.820 -0.307 0.000 1.970 366 A HA 0.441 4.761 4.320 -0.000 0.000 0.204 366 A C 1.228 178.686 177.584 -0.210 0.000 1.325 366 A CA 1.014 52.801 52.037 -0.416 0.000 0.767 366 A CB 0.446 18.829 19.000 -1.028 0.000 0.949 366 A HN 0.337 nan 8.150 nan 0.000 0.481 367 M N -0.552 118.945 119.600 -0.172 0.000 5.177 367 M HA 0.419 4.899 4.480 -0.000 0.000 0.606 367 M C -0.568 175.656 176.300 -0.127 0.000 2.347 367 M CA 0.266 55.491 55.300 -0.125 0.000 0.353 367 M CB 0.930 33.486 32.600 -0.073 0.000 1.530 367 M HN 0.560 nan 8.290 nan 0.000 0.654 368 G N 1.020 109.742 108.800 -0.131 0.000 2.368 368 G HA2 0.496 4.456 3.960 -0.000 0.000 0.293 368 G HA3 0.496 4.456 3.960 -0.000 0.000 0.293 368 G C -2.045 172.794 174.900 -0.102 0.000 1.467 368 G CA -0.994 44.038 45.100 -0.114 0.000 0.804 368 G HN 0.329 nan 8.290 nan 0.000 0.535 369 R N 0.438 120.885 120.500 -0.088 0.000 2.360 369 R HA 0.556 4.896 4.340 -0.000 0.000 0.318 369 R C 1.156 177.413 176.300 -0.072 0.000 0.950 369 R CA -0.067 55.984 56.100 -0.081 0.000 0.837 369 R CB 1.789 32.039 30.300 -0.083 0.000 1.165 369 R HN 0.692 nan 8.270 nan 0.000 0.458 370 A N 2.632 125.413 122.820 -0.064 0.000 1.986 370 A HA -0.125 4.195 4.320 -0.000 0.000 0.220 370 A C 1.546 179.100 177.584 -0.049 0.000 1.171 370 A CA 1.948 53.952 52.037 -0.054 0.000 0.640 370 A CB -0.210 18.762 19.000 -0.047 0.000 0.811 370 A HN 0.800 nan 8.150 nan 0.000 0.451 371 G N -1.428 107.343 108.800 -0.049 0.000 3.605 371 G HA2 0.412 4.372 3.960 -0.000 0.000 0.277 371 G HA3 0.412 4.372 3.960 -0.000 0.000 0.277 371 G C 0.403 175.285 174.900 -0.030 0.000 1.093 371 G CA 0.156 45.235 45.100 -0.034 0.000 0.821 371 G HN 0.555 nan 8.290 nan 0.000 0.532 372 E N -0.390 119.778 120.200 -0.054 0.000 2.759 372 E HA 0.142 4.492 4.350 -0.000 0.000 0.220 372 E C 1.651 178.201 176.600 -0.084 0.000 0.974 372 E CA -0.324 56.039 56.400 -0.061 0.000 1.148 372 E CB 0.453 30.109 29.700 -0.074 0.000 1.059 372 E HN 0.382 nan 8.360 nan 0.000 0.493 373 M N 0.748 120.288 119.600 -0.100 0.000 2.067 373 M HA -0.161 4.319 4.480 -0.000 0.000 0.260 373 M C 1.862 178.005 176.300 -0.261 0.000 1.069 373 M CA 1.714 56.933 55.300 -0.136 0.000 1.117 373 M CB 0.103 32.642 32.600 -0.101 0.000 1.334 373 M HN 0.023 nan 8.290 nan 0.000 0.407 374 V N 0.731 120.430 119.914 -0.359 0.000 2.307 374 V HA -0.268 3.851 4.120 -0.000 0.000 0.245 374 V C 2.382 178.315 176.094 -0.268 0.000 1.045 374 V CA 1.749 63.687 62.300 -0.604 0.000 1.024 374 V CB -0.966 30.556 31.823 -0.502 0.000 0.651 374 V HN 0.585 nan 8.190 nan 0.000 0.449 375 L N 0.271 121.420 121.223 -0.124 0.000 1.997 375 L HA -0.248 4.091 4.340 -0.000 0.000 0.216 375 L C 2.614 179.477 176.870 -0.011 0.000 1.074 375 L CA 2.156 56.983 54.840 -0.022 0.000 0.763 375 L CB -0.442 41.629 42.059 0.021 0.000 0.890 375 L HN 0.176 nan 8.230 nan 0.000 0.434 376 R N -1.787 118.676 120.500 -0.062 0.000 2.193 376 R HA -0.036 4.304 4.340 -0.000 0.000 0.213 376 R C 2.005 178.247 176.300 -0.097 0.000 1.055 376 R CA 1.194 57.262 56.100 -0.053 0.000 0.995 376 R CB -0.340 29.930 30.300 -0.051 0.000 0.893 376 R HN 0.421 nan 8.270 nan 0.000 0.459 377 T N -0.166 114.276 114.554 -0.187 0.000 2.708 377 T HA -0.167 4.183 4.350 -0.000 0.000 0.266 377 T C 1.178 175.662 174.700 -0.361 0.000 1.037 377 T CA 1.335 63.271 62.100 -0.273 0.000 1.146 377 T CB -0.174 68.470 68.868 -0.373 0.000 0.865 377 T HN 0.437 nan 8.240 nan 0.000 0.435 378 W N 1.421 122.701 121.300 -0.034 0.000 2.476 378 W HA 0.051 4.711 4.660 -0.000 0.000 0.281 378 W C 2.672 179.123 176.519 -0.112 0.000 1.230 378 W CA -0.012 57.283 57.345 -0.083 0.000 1.287 378 W CB -0.269 29.168 29.460 -0.038 0.000 1.108 378 W HN 0.274 nan 8.180 nan 0.000 0.567 379 Q N -0.248 119.614 119.800 0.102 0.000 2.124 379 Q HA -0.164 4.176 4.340 -0.000 0.000 0.202 379 Q C 2.010 178.015 176.000 0.009 0.000 0.977 379 Q CA 2.127 57.962 55.803 0.054 0.000 0.850 379 Q CB -0.488 28.278 28.738 0.047 0.000 0.901 379 Q HN 0.216 nan 8.270 nan 0.000 0.429 380 T N 0.661 115.198 114.554 -0.028 0.000 2.737 380 T HA -0.134 4.215 4.350 -0.000 0.000 0.265 380 T C 1.920 176.553 174.700 -0.112 0.000 1.038 380 T CA 1.186 63.280 62.100 -0.010 0.000 1.144 380 T CB -0.338 68.553 68.868 0.039 0.000 0.866 380 T HN 0.396 nan 8.240 nan 0.000 0.434 381 A N 1.539 124.082 122.820 -0.462 0.000 1.940 381 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 381 A C 2.061 179.510 177.584 -0.226 0.000 1.176 381 A CA 2.282 53.839 52.037 -0.800 0.000 0.631 381 A CB -0.886 17.440 19.000 -1.124 0.000 0.814 381 A HN 0.596 nan 8.150 nan 0.000 0.446 382 D N -0.911 119.439 120.400 -0.083 0.000 2.117 382 D HA -0.162 4.478 4.640 -0.000 0.000 0.198 382 D C 1.981 178.290 176.300 0.014 0.000 0.982 382 D CA 1.571 55.569 54.000 -0.004 0.000 0.828 382 D CB -0.110 40.706 40.800 0.026 0.000 0.967 382 D HN 0.467 nan 8.370 nan 0.000 0.464 383 K N -0.573 119.838 120.400 0.018 0.000 2.057 383 K HA -0.132 4.187 4.320 -0.000 0.000 0.207 383 K C 1.976 178.610 176.600 0.058 0.000 1.049 383 K CA 0.997 57.309 56.287 0.041 0.000 0.931 383 K CB 0.009 32.540 32.500 0.053 0.000 0.714 383 K HN 0.154 nan 8.250 nan 0.000 0.440 384 M N 1.089 120.728 119.600 0.065 0.000 2.175 384 M HA -0.140 4.340 4.480 -0.000 0.000 0.264 384 M C 2.128 178.479 176.300 0.085 0.000 1.063 384 M CA 1.515 56.874 55.300 0.098 0.000 1.119 384 M CB -0.733 31.960 32.600 0.156 0.000 1.377 384 M HN 0.151 nan 8.290 nan 0.000 0.415 385 K N 0.505 120.944 120.400 0.065 0.000 2.057 385 K HA -0.154 4.166 4.320 -0.000 0.000 0.207 385 K C 2.272 178.911 176.600 0.065 0.000 1.049 385 K CA 1.544 57.873 56.287 0.071 0.000 0.931 385 K CB 0.121 32.663 32.500 0.070 0.000 0.714 385 K HN -0.005 nan 8.250 nan 0.000 0.440 386 K N 0.492 120.926 120.400 0.057 0.000 2.063 386 K HA -0.130 4.190 4.320 -0.000 0.000 0.208 386 K C 2.259 178.889 176.600 0.050 0.000 1.048 386 K CA 2.058 58.375 56.287 0.051 0.000 0.928 386 K CB -0.331 32.195 32.500 0.044 0.000 0.713 386 K HN 0.507 nan 8.250 nan 0.000 0.442 387 Q N -1.212 118.622 119.800 0.057 0.000 2.297 387 Q HA 0.155 4.495 4.340 -0.000 0.000 0.203 387 Q C 2.097 178.133 176.000 0.059 0.000 0.931 387 Q CA 0.753 56.591 55.803 0.057 0.000 0.885 387 Q CB 0.303 29.081 28.738 0.067 0.000 0.991 387 Q HN 0.307 nan 8.270 nan 0.000 0.498 388 R N -0.367 120.173 120.500 0.068 0.000 2.335 388 R HA 0.246 4.586 4.340 -0.000 0.000 0.210 388 R C 0.454 176.790 176.300 0.060 0.000 0.892 388 R CA 0.473 56.613 56.100 0.067 0.000 1.048 388 R CB 1.256 31.607 30.300 0.085 0.000 1.067 388 R HN 0.172 nan 8.270 nan 0.000 0.524 389 G N 2.261 111.097 108.800 0.061 0.000 2.795 389 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.664 389 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.664 389 G C -2.657 172.282 174.900 0.065 0.000 1.381 389 G CA -1.256 43.877 45.100 0.055 0.000 0.853 389 G HN -0.068 nan 8.290 nan 0.000 0.545 390 P HA 0.243 nan 4.420 nan 0.000 0.263 390 P C 0.787 178.120 177.300 0.055 0.000 1.175 390 P CA -0.003 63.135 63.100 0.064 0.000 0.761 390 P CB 0.270 31.997 31.700 0.045 0.000 0.794 391 L N 1.989 123.254 121.223 0.070 0.000 2.473 391 L HA 0.082 4.422 4.340 -0.000 0.000 0.268 391 L C 1.896 178.741 176.870 -0.043 0.000 1.215 391 L CA -0.151 54.708 54.840 0.031 0.000 0.823 391 L CB 0.073 42.171 42.059 0.064 0.000 1.099 391 L HN 0.431 nan 8.230 nan 0.000 0.483 392 A N 1.541 124.315 122.820 -0.076 0.000 1.978 392 A HA -0.182 4.138 4.320 -0.000 0.000 0.220 392 A C 1.892 179.393 177.584 -0.139 0.000 1.170 392 A CA 1.638 53.623 52.037 -0.086 0.000 0.636 392 A CB -0.433 18.522 19.000 -0.076 0.000 0.810 392 A HN 0.886 nan 8.150 nan 0.000 0.448 393 E N 0.658 120.686 120.200 -0.287 0.000 2.427 393 E HA -0.005 4.345 4.350 -0.000 0.000 0.196 393 E C 0.335 176.825 176.600 -0.183 0.000 1.028 393 E CA 0.242 56.414 56.400 -0.380 0.000 0.864 393 E CB 0.055 29.118 29.700 -1.061 0.000 0.813 393 E HN 0.564 nan 8.360 nan 0.000 0.514 394 E N 0.068 120.214 120.200 -0.090 0.000 2.408 394 E HA 0.156 4.505 4.350 -0.000 0.000 0.259 394 E C 0.823 177.431 176.600 0.014 0.000 1.110 394 E CA 0.377 56.788 56.400 0.017 0.000 0.929 394 E CB 0.844 30.572 29.700 0.046 0.000 0.971 394 E HN 0.164 nan 8.360 nan 0.000 0.438 395 K N 1.758 122.179 120.400 0.035 0.000 3.332 395 K HA 0.107 4.427 4.320 -0.000 0.000 0.254 395 K C 0.943 177.551 176.600 0.013 0.000 1.304 395 K CA 0.000 56.302 56.287 0.025 0.000 1.215 395 K CB -0.500 32.023 32.500 0.038 0.000 2.064 395 K HN 0.306 nan 8.250 nan 0.000 0.423 396 N N 1.148 119.857 118.700 0.015 0.000 2.652 396 N HA 0.216 4.956 4.740 -0.000 0.000 0.259 396 N C 0.683 176.179 175.510 -0.023 0.000 1.240 396 N CA 0.771 53.818 53.050 -0.004 0.000 0.951 396 N CB 0.055 38.541 38.487 -0.001 0.000 1.281 396 N HN 0.883 nan 8.380 nan 0.000 0.507 397 G N -0.042 108.746 108.800 -0.020 0.000 2.155 397 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.257 397 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.257 397 G C 0.376 175.265 174.900 -0.017 0.000 0.983 397 G CA 0.825 45.901 45.100 -0.039 0.000 0.676 397 G HN 0.596 nan 8.290 nan 0.000 0.528 398 S N -0.995 114.720 115.700 0.026 0.000 2.713 398 S HA 0.636 5.106 4.470 -0.000 0.000 0.283 398 S C 0.252 174.914 174.600 0.103 0.000 1.161 398 S CA -0.038 58.209 58.200 0.078 0.000 0.999 398 S CB 1.859 65.103 63.200 0.074 0.000 1.039 398 S HN 0.044 nan 8.310 nan 0.000 0.548 399 D N 0.977 121.455 120.400 0.130 0.000 2.525 399 D HA 0.189 4.829 4.640 -0.000 0.000 0.229 399 D C 0.322 176.689 176.300 0.112 0.000 1.202 399 D CA -0.054 54.024 54.000 0.130 0.000 0.828 399 D CB -0.153 40.727 40.800 0.133 0.000 1.008 399 D HN 0.449 nan 8.370 nan 0.000 0.493 400 N N 0.449 119.204 118.700 0.092 0.000 2.149 400 N HA -0.156 4.583 4.740 -0.000 0.000 0.188 400 N C 1.356 176.860 175.510 -0.009 0.000 1.019 400 N CA 0.630 53.705 53.050 0.041 0.000 0.857 400 N CB -0.277 38.238 38.487 0.047 0.000 0.997 400 N HN 0.249 nan 8.380 nan 0.000 0.426 401 F N 1.393 121.295 119.950 -0.081 0.000 2.113 401 F HA -0.025 4.502 4.527 -0.000 0.000 0.297 401 F C 2.488 178.212 175.800 -0.128 0.000 1.103 401 F CA 1.178 59.076 58.000 -0.171 0.000 1.248 401 F CB -0.065 38.906 39.000 -0.048 0.000 0.999 401 F HN -0.104 nan 8.300 nan 0.000 0.475 402 R N 0.327 120.967 120.500 0.232 0.000 2.081 402 R HA -0.190 4.149 4.340 -0.000 0.000 0.235 402 R C 2.418 178.852 176.300 0.223 0.000 1.131 402 R CA 1.668 57.930 56.100 0.270 0.000 0.960 402 R CB -0.814 29.658 30.300 0.286 0.000 0.856 402 R HN 0.402 nan 8.270 nan 0.000 0.436 403 L N 0.460 121.779 121.223 0.160 0.000 2.046 403 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 403 L C 2.286 179.239 176.870 0.138 0.000 1.077 403 L CA 2.159 57.175 54.840 0.293 0.000 0.747 403 L CB -1.118 41.022 42.059 0.135 0.000 0.896 403 L HN 0.225 nan 8.230 nan 0.000 0.432 404 K N -0.876 119.390 120.400 -0.224 0.000 2.062 404 K HA -0.153 4.167 4.320 -0.000 0.000 0.205 404 K C 2.421 178.690 176.600 -0.552 0.000 1.051 404 K CA 1.339 57.322 56.287 -0.505 0.000 0.941 404 K CB -0.209 31.623 32.500 -1.114 0.000 0.719 404 K HN 0.618 nan 8.250 nan 0.000 0.440 405 R N 0.219 120.368 120.500 -0.586 0.000 2.091 405 R HA -0.200 4.139 4.340 -0.000 0.000 0.238 405 R C 1.733 177.925 176.300 -0.180 0.000 1.136 405 R CA 1.709 57.632 56.100 -0.295 0.000 0.959 405 R CB -0.224 29.937 30.300 -0.233 0.000 0.856 405 R HN 0.218 nan 8.270 nan 0.000 0.437 406 Y N -0.931 119.252 120.300 -0.194 0.000 2.269 406 Y HA -0.050 4.500 4.550 -0.000 0.000 0.294 406 Y C 2.206 177.875 175.900 -0.385 0.000 1.120 406 Y CA 1.004 58.921 58.100 -0.305 0.000 1.159 406 Y CB -0.215 37.941 38.460 -0.507 0.000 1.024 406 Y HN -0.093 nan 8.280 nan 0.000 0.532 407 V N -0.851 118.995 119.914 -0.113 0.000 2.469 407 V HA -0.282 3.838 4.120 -0.000 0.000 0.251 407 V C 2.041 177.909 176.094 -0.377 0.000 1.064 407 V CA 2.397 64.562 62.300 -0.224 0.000 1.066 407 V CB -0.525 31.395 31.823 0.161 0.000 0.667 407 V HN 0.409 nan 8.190 nan 0.000 0.461 408 S N -0.466 115.152 115.700 -0.136 0.000 2.419 408 S HA -0.183 4.287 4.470 -0.000 0.000 0.233 408 S C 1.785 176.306 174.600 -0.131 0.000 1.016 408 S CA 1.464 59.626 58.200 -0.064 0.000 0.974 408 S CB -0.256 62.998 63.200 0.090 0.000 0.786 408 S HN 0.671 nan 8.310 nan 0.000 0.492 409 K N 0.536 120.848 120.400 -0.147 0.000 2.211 409 K HA -0.104 4.216 4.320 -0.000 0.000 0.203 409 K C 1.429 178.045 176.600 0.025 0.000 1.050 409 K CA 1.271 57.525 56.287 -0.054 0.000 0.945 409 K CB -0.156 32.327 32.500 -0.028 0.000 0.732 409 K HN 0.766 nan 8.250 nan 0.000 0.451 410 Y N -1.563 118.736 120.300 -0.001 0.000 2.500 410 Y HA 0.264 4.814 4.550 -0.000 0.000 0.246 410 Y C 1.326 177.266 175.900 0.067 0.000 1.146 410 Y CA -0.155 57.961 58.100 0.027 0.000 1.230 410 Y CB -0.245 38.226 38.460 0.017 0.000 1.214 410 Y HN -0.070 nan 8.280 nan 0.000 0.526 411 T N -2.248 112.228 114.554 -0.130 0.000 3.479 411 T HA 0.114 4.464 4.350 -0.000 0.000 0.197 411 T C 1.385 176.080 174.700 -0.010 0.000 0.912 411 T CA 0.661 62.752 62.100 -0.015 0.000 1.281 411 T CB -0.795 68.054 68.868 -0.031 0.000 1.588 411 T HN 0.102 nan 8.240 nan 0.000 0.389 412 I N 2.813 123.360 120.570 -0.038 0.000 2.353 412 I HA 0.032 4.201 4.170 -0.000 0.000 0.248 412 I C 1.818 177.846 176.117 -0.149 0.000 1.119 412 I CA 1.173 62.412 61.300 -0.101 0.000 1.417 412 I CB -0.789 37.049 38.000 -0.270 0.000 1.078 412 I HN 0.228 nan 8.210 nan 0.000 0.421 413 N N 0.870 119.486 118.700 -0.139 0.000 2.142 413 N HA -0.057 4.682 4.740 -0.000 0.000 0.186 413 N C -0.820 174.607 175.510 -0.138 0.000 1.023 413 N CA 1.573 54.536 53.050 -0.144 0.000 0.852 413 N CB -1.843 36.571 38.487 -0.122 0.000 0.998 413 N HN 0.299 nan 8.380 nan 0.000 0.424 414 P HA -0.038 nan 4.420 nan 0.000 0.216 414 P C 1.076 178.278 177.300 -0.163 0.000 1.150 414 P CA 1.431 64.473 63.100 -0.098 0.000 0.837 414 P CB -0.029 31.667 31.700 -0.006 0.000 0.786 415 A N -0.537 122.195 122.820 -0.147 0.000 1.877 415 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 415 A C 2.229 179.703 177.584 -0.184 0.000 1.186 415 A CA 1.547 53.471 52.037 -0.189 0.000 0.620 415 A CB -1.662 17.271 19.000 -0.112 0.000 0.822 415 A HN 0.103 nan 8.150 nan 0.000 0.443 416 I N -0.231 120.250 120.570 -0.148 0.000 2.163 416 I HA -0.306 3.864 4.170 -0.000 0.000 0.243 416 I C 2.981 179.014 176.117 -0.139 0.000 1.085 416 I CA 1.170 62.394 61.300 -0.127 0.000 1.347 416 I CB -0.332 37.586 38.000 -0.137 0.000 1.044 416 I HN 0.362 nan 8.210 nan 0.000 0.408 417 A N -0.384 122.333 122.820 -0.172 0.000 1.940 417 A HA -0.257 4.063 4.320 -0.000 0.000 0.219 417 A C 2.176 179.668 177.584 -0.154 0.000 1.176 417 A CA 1.648 53.580 52.037 -0.176 0.000 0.631 417 A CB -0.433 18.403 19.000 -0.274 0.000 0.814 417 A HN 0.368 nan 8.150 nan 0.000 0.446 418 Q N -1.497 118.162 119.800 -0.235 0.000 2.403 418 Q HA 0.263 4.603 4.340 -0.000 0.000 0.203 418 Q C 1.030 176.871 176.000 -0.265 0.000 0.932 418 Q CA 0.696 56.287 55.803 -0.354 0.000 0.945 418 Q CB -0.091 28.164 28.738 -0.805 0.000 1.045 418 Q HN 0.965 nan 8.270 nan 0.000 0.511 419 G N 1.228 109.932 108.800 -0.160 0.000 2.182 419 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.248 419 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.248 419 G C 0.484 175.398 174.900 0.022 0.000 1.042 419 G CA 0.585 45.659 45.100 -0.042 0.000 0.775 419 G HN 0.573 nan 8.290 nan 0.000 0.501 420 I N -3.918 116.568 120.570 -0.140 0.000 4.147 420 I HA 0.689 4.859 4.170 -0.000 0.000 0.329 420 I C 1.674 177.662 176.117 -0.214 0.000 1.424 420 I CA 0.415 61.557 61.300 -0.263 0.000 1.127 420 I CB 0.392 37.893 38.000 -0.833 0.000 1.128 420 I HN 0.144 nan 8.210 nan 0.000 0.417 421 A N 1.911 124.705 122.820 -0.043 0.000 2.216 421 A HA -0.143 4.177 4.320 -0.000 0.000 0.214 421 A C 2.153 179.790 177.584 0.087 0.000 1.160 421 A CA 1.360 53.398 52.037 0.002 0.000 0.725 421 A CB -1.095 17.905 19.000 0.001 0.000 0.784 421 A HN 0.780 nan 8.150 nan 0.000 0.472 422 H N -1.408 117.711 119.070 0.083 0.000 2.524 422 H HA 0.081 4.637 4.556 -0.000 0.000 0.282 422 H C 0.975 176.422 175.328 0.198 0.000 1.016 422 H CA 1.244 57.368 56.048 0.126 0.000 1.270 422 H CB 0.007 29.834 29.762 0.109 0.000 1.394 422 H HN 0.495 nan 8.280 nan 0.000 0.568 423 E N 1.123 121.178 120.200 -0.242 0.000 2.256 423 E HA 0.140 4.490 4.350 -0.000 0.000 0.198 423 E C 1.159 177.838 176.600 0.132 0.000 0.908 423 E CA 0.796 57.197 56.400 0.002 0.000 0.915 423 E CB 1.102 30.795 29.700 -0.011 0.000 0.890 423 E HN 0.384 nan 8.360 nan 0.000 0.484 424 V N -4.653 115.317 119.914 0.092 0.000 3.156 424 V HA 0.845 4.965 4.120 -0.000 0.000 0.310 424 V C 0.729 176.882 176.094 0.099 0.000 1.234 424 V CA -0.203 62.184 62.300 0.145 0.000 1.065 424 V CB 1.334 33.278 31.823 0.201 0.000 1.088 424 V HN 0.318 nan 8.190 nan 0.000 0.451 425 G N 0.188 109.061 108.800 0.122 0.000 2.195 425 G HA2 0.078 4.038 3.960 -0.000 0.000 0.224 425 G HA3 0.078 4.038 3.960 -0.000 0.000 0.224 425 G C 0.219 175.213 174.900 0.156 0.000 0.990 425 G CA 0.626 45.787 45.100 0.102 0.000 0.639 425 G HN 2.458 nan 8.290 nan 0.000 0.514 426 S N -1.159 114.657 115.700 0.194 0.000 2.587 426 S HA 0.675 5.144 4.470 -0.000 0.000 0.269 426 S C -0.657 174.057 174.600 0.189 0.000 1.154 426 S CA -0.814 57.533 58.200 0.245 0.000 0.824 426 S CB 1.371 64.822 63.200 0.420 0.000 1.118 426 S HN 0.732 nan 8.310 nan 0.000 0.462 427 I N 1.769 122.437 120.570 0.163 0.000 2.241 427 I HA 0.367 4.537 4.170 -0.000 0.000 0.294 427 I C -0.018 176.171 176.117 0.120 0.000 1.145 427 I CA 0.226 61.600 61.300 0.123 0.000 1.261 427 I CB -0.280 37.777 38.000 0.096 0.000 1.475 427 I HN 0.603 nan 8.210 nan 0.000 0.533 428 E N 4.379 124.655 120.200 0.126 0.000 2.383 428 E HA 0.352 4.702 4.350 -0.000 0.000 0.275 428 E C -0.967 175.703 176.600 0.117 0.000 0.918 428 E CA -0.951 55.518 56.400 0.115 0.000 0.764 428 E CB 2.212 31.992 29.700 0.134 0.000 1.252 428 E HN 0.386 nan 8.360 nan 0.000 0.449 429 E N 0.059 120.314 120.200 0.093 0.000 2.414 429 E HA 0.221 4.571 4.350 -0.000 0.000 0.263 429 E C 0.709 177.386 176.600 0.129 0.000 1.000 429 E CA 0.904 57.361 56.400 0.095 0.000 0.914 429 E CB 0.436 30.171 29.700 0.058 0.000 0.948 429 E HN 0.822 nan 8.360 nan 0.000 0.444 430 G N 2.580 111.479 108.800 0.166 0.000 2.176 430 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.253 430 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.253 430 G C 0.098 175.216 174.900 0.365 0.000 0.979 430 G CA -0.024 45.197 45.100 0.201 0.000 0.641 430 G HN 0.391 nan 8.290 nan 0.000 0.530 431 K N -0.530 120.080 120.400 0.349 0.000 2.123 431 K HA 0.583 4.903 4.320 -0.000 0.000 0.248 431 K C -0.292 176.462 176.600 0.256 0.000 0.969 431 K CA -1.035 55.465 56.287 0.357 0.000 0.882 431 K CB 1.272 33.908 32.500 0.227 0.000 1.080 431 K HN -0.001 nan 8.250 nan 0.000 0.441 432 F N 1.409 121.239 119.950 -0.200 0.000 2.572 432 F HA 0.028 4.555 4.527 -0.000 0.000 0.370 432 F C 0.486 176.141 175.800 -0.241 0.000 1.103 432 F CA -0.390 57.246 58.000 -0.607 0.000 1.286 432 F CB 0.483 39.218 39.000 -0.442 0.000 1.105 432 F HN 0.570 nan 8.300 nan 0.000 0.583 433 A N 4.868 127.282 122.820 -0.676 0.000 3.091 433 A HA 0.204 4.524 4.320 -0.000 0.000 0.264 433 A C -0.622 176.738 177.584 -0.374 0.000 1.673 433 A CA -0.479 51.323 52.037 -0.393 0.000 1.362 433 A CB -1.131 17.671 19.000 -0.330 0.000 1.137 433 A HN 0.554 nan 8.150 nan 0.000 0.617 434 D N 1.501 121.796 120.400 -0.174 0.000 2.428 434 D HA 0.527 5.166 4.640 -0.000 0.000 0.221 434 D C -0.401 175.908 176.300 0.015 0.000 1.123 434 D CA 0.499 54.477 54.000 -0.037 0.000 0.869 434 D CB 0.938 41.806 40.800 0.114 0.000 1.032 434 D HN 0.395 nan 8.370 nan 0.000 0.506 435 L N 1.287 122.506 121.223 -0.008 0.000 2.388 435 L HA 0.595 4.935 4.340 -0.000 0.000 0.264 435 L C -0.622 176.245 176.870 -0.005 0.000 0.998 435 L CA -1.171 53.682 54.840 0.021 0.000 0.817 435 L CB 2.502 44.561 42.059 -0.001 0.000 1.338 435 L HN -0.087 nan 8.230 nan 0.000 0.414 436 V N 3.278 123.202 119.914 0.017 0.000 2.444 436 V HA 0.414 4.534 4.120 -0.000 0.000 0.294 436 V C -0.383 175.611 176.094 -0.166 0.000 1.022 436 V CA -0.488 61.721 62.300 -0.152 0.000 0.850 436 V CB 1.825 33.525 31.823 -0.204 0.000 0.992 436 V HN 0.401 nan 8.190 nan 0.000 0.426 437 L N 4.917 125.998 121.223 -0.236 0.000 2.292 437 L HA 0.562 4.902 4.340 -0.000 0.000 0.284 437 L C -0.840 175.893 176.870 -0.227 0.000 1.065 437 L CA 0.291 55.071 54.840 -0.101 0.000 0.806 437 L CB 1.042 43.077 42.059 -0.041 0.000 1.175 437 L HN 0.604 nan 8.230 nan 0.000 0.431 438 W N 1.775 123.145 121.300 0.117 0.000 2.739 438 W HA 0.506 5.166 4.660 -0.000 0.000 0.331 438 W C -0.214 176.396 176.519 0.151 0.000 1.049 438 W CA -0.639 56.794 57.345 0.147 0.000 1.234 438 W CB 0.893 30.493 29.460 0.234 0.000 1.404 438 W HN 0.383 nan 8.180 nan 0.000 0.477 439 E N 3.424 123.865 120.200 0.401 0.000 2.376 439 E HA 0.007 4.356 4.350 -0.000 0.000 0.266 439 E C -1.520 175.246 176.600 0.276 0.000 1.009 439 E CA -1.148 55.431 56.400 0.298 0.000 0.902 439 E CB 0.927 30.826 29.700 0.332 0.000 0.972 439 E HN 0.085 nan 8.360 nan 0.000 0.439 440 P HA -0.265 nan 4.420 nan 0.000 0.217 440 P C 1.112 178.401 177.300 -0.019 0.000 1.148 440 P CA 1.610 64.722 63.100 0.021 0.000 0.828 440 P CB 0.098 31.754 31.700 -0.073 0.000 0.783 441 K N -1.530 118.824 120.400 -0.077 0.000 2.211 441 K HA -0.066 4.253 4.320 -0.000 0.000 0.203 441 K C 0.874 177.375 176.600 -0.165 0.000 1.050 441 K CA 1.392 57.560 56.287 -0.199 0.000 0.945 441 K CB -0.715 31.554 32.500 -0.384 0.000 0.732 441 K HN 0.094 nan 8.250 nan 0.000 0.451 442 F N 0.721 120.749 119.950 0.130 0.000 2.639 442 F HA 0.280 4.807 4.527 -0.000 0.000 0.302 442 F C 0.203 176.016 175.800 0.022 0.000 1.097 442 F CA -1.702 56.334 58.000 0.061 0.000 1.294 442 F CB -0.166 38.913 39.000 0.132 0.000 1.027 442 F HN -0.103 nan 8.300 nan 0.000 0.550 443 F N 1.038 120.967 119.950 -0.034 0.000 2.578 443 F HA 0.390 4.917 4.527 -0.000 0.000 0.376 443 F C 1.360 176.803 175.800 -0.596 0.000 1.085 443 F CA 0.849 58.634 58.000 -0.359 0.000 1.260 443 F CB 0.523 39.207 39.000 -0.527 0.000 1.095 443 F HN 0.290 nan 8.300 nan 0.000 0.573 444 G N 3.390 110.940 108.800 -2.083 0.000 2.212 444 G HA2 -0.295 3.664 3.960 -0.000 0.000 0.266 444 G HA3 -0.295 3.664 3.960 -0.000 0.000 0.266 444 G C 0.511 175.189 174.900 -0.370 0.000 0.978 444 G CA 0.512 44.852 45.100 -1.268 0.000 0.632 444 G HN 0.770 nan 8.290 nan 0.000 0.537 445 V N -0.863 118.963 119.914 -0.147 0.000 2.840 445 V HA 0.412 4.532 4.120 -0.000 0.000 0.234 445 V C 0.967 177.143 176.094 0.138 0.000 1.159 445 V CA 1.789 64.065 62.300 -0.040 0.000 1.194 445 V CB 0.388 31.963 31.823 -0.414 0.000 0.971 445 V HN 0.227 nan 8.190 nan 0.000 0.494 446 K N 0.589 121.097 120.400 0.180 0.000 2.613 446 K HA 0.680 5.000 4.320 -0.000 0.000 0.248 446 K C -0.663 175.953 176.600 0.026 0.000 0.959 446 K CA -0.111 56.201 56.287 0.043 0.000 0.855 446 K CB 1.963 34.327 32.500 -0.227 0.000 1.143 446 K HN 0.385 nan 8.250 nan 0.000 0.437 447 A N 1.933 124.624 122.820 -0.214 0.000 2.462 447 A HA 0.017 4.336 4.320 -0.000 0.000 0.243 447 A C 0.688 178.084 177.584 -0.314 0.000 1.076 447 A CA 0.104 51.750 52.037 -0.652 0.000 0.773 447 A CB 0.319 18.820 19.000 -0.832 0.000 1.010 447 A HN 0.922 nan 8.150 nan 0.000 0.493 448 D N 0.887 121.115 120.400 -0.288 0.000 2.146 448 D HA 0.022 4.662 4.640 -0.000 0.000 0.209 448 D C 0.597 176.809 176.300 -0.147 0.000 0.973 448 D CA 1.212 55.123 54.000 -0.148 0.000 0.860 448 D CB 0.186 40.956 40.800 -0.050 0.000 1.015 448 D HN 0.563 nan 8.370 nan 0.000 0.465 449 R N -0.560 119.839 120.500 -0.168 0.000 2.621 449 R HA 0.561 4.901 4.340 -0.000 0.000 0.284 449 R C -1.573 174.641 176.300 -0.143 0.000 0.998 449 R CA -0.824 55.204 56.100 -0.119 0.000 0.895 449 R CB 2.893 33.144 30.300 -0.081 0.000 1.195 449 R HN -0.110 nan 8.270 nan 0.000 0.450 450 V N 5.039 124.911 119.914 -0.071 0.000 2.357 450 V HA 0.443 4.562 4.120 -0.000 0.000 0.284 450 V C -0.007 176.069 176.094 -0.029 0.000 1.018 450 V CA -0.612 61.651 62.300 -0.061 0.000 0.841 450 V CB 1.467 33.276 31.823 -0.023 0.000 0.991 450 V HN 0.607 nan 8.190 nan 0.000 0.437 451 I N 5.615 126.157 120.570 -0.046 0.000 2.359 451 I HA 0.487 4.657 4.170 -0.000 0.000 0.294 451 I C -0.035 176.041 176.117 -0.068 0.000 0.987 451 I CA -0.492 60.774 61.300 -0.057 0.000 1.225 451 I CB 1.291 39.248 38.000 -0.072 0.000 1.366 451 I HN 0.363 nan 8.210 nan 0.000 0.466 452 K N 4.456 124.810 120.400 -0.076 0.000 2.502 452 K HA 0.338 4.657 4.320 -0.000 0.000 0.254 452 K C 0.314 176.783 176.600 -0.218 0.000 0.947 452 K CA -0.522 55.716 56.287 -0.081 0.000 0.834 452 K CB 1.796 34.315 32.500 0.031 0.000 1.112 452 K HN 0.862 nan 8.250 nan 0.000 0.427 453 G N 1.653 110.062 108.800 -0.651 0.000 2.379 453 G HA2 -0.277 3.682 3.960 -0.000 0.000 0.297 453 G HA3 -0.277 3.682 3.960 -0.000 0.000 0.297 453 G C 0.811 175.432 174.900 -0.465 0.000 1.004 453 G CA 1.359 45.824 45.100 -1.058 0.000 0.921 453 G HN 1.126 nan 8.290 nan 0.000 0.511 454 G N -2.061 106.532 108.800 -0.346 0.000 2.176 454 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.253 454 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.253 454 G C 0.174 175.009 174.900 -0.108 0.000 0.979 454 G CA 0.465 45.453 45.100 -0.187 0.000 0.641 454 G HN 1.205 nan 8.290 nan 0.000 0.530 455 I N 1.006 121.520 120.570 -0.093 0.000 2.545 455 I HA 0.445 4.615 4.170 -0.000 0.000 0.292 455 I C 0.818 176.917 176.117 -0.029 0.000 1.040 455 I CA -1.535 59.739 61.300 -0.042 0.000 1.068 455 I CB 1.672 39.664 38.000 -0.013 0.000 1.251 455 I HN -0.012 nan 8.210 nan 0.000 0.424 456 I N 4.332 124.894 120.570 -0.013 0.000 2.668 456 I HA 0.013 4.183 4.170 -0.000 0.000 0.285 456 I C 1.249 177.376 176.117 0.017 0.000 1.168 456 I CA 0.403 61.700 61.300 -0.006 0.000 1.424 456 I CB 0.966 38.961 38.000 -0.009 0.000 1.377 456 I HN 0.772 nan 8.210 nan 0.000 0.560 457 A N 6.333 129.170 122.820 0.029 0.000 2.085 457 A HA 0.153 4.472 4.320 -0.000 0.000 0.208 457 A C 0.174 177.828 177.584 0.117 0.000 1.191 457 A CA 0.533 52.605 52.037 0.058 0.000 0.799 457 A CB 0.362 19.399 19.000 0.062 0.000 0.877 457 A HN 0.651 nan 8.150 nan 0.000 0.473 458 Y N -1.554 118.707 120.300 -0.066 0.000 2.519 458 Y HA 0.540 5.090 4.550 -0.000 0.000 0.336 458 Y C -0.876 174.966 175.900 -0.096 0.000 1.089 458 Y CA -0.574 57.478 58.100 -0.079 0.000 1.025 458 Y CB 1.550 39.963 38.460 -0.077 0.000 1.318 458 Y HN 0.319 nan 8.280 nan 0.000 0.452 459 A N 4.223 126.793 122.820 -0.418 0.000 2.574 459 A HA 0.541 4.860 4.320 -0.000 0.000 0.297 459 A C -1.840 175.524 177.584 -0.366 0.000 1.062 459 A CA -0.927 50.945 52.037 -0.275 0.000 0.686 459 A CB 1.842 20.736 19.000 -0.177 0.000 1.285 459 A HN 0.536 nan 8.150 nan 0.000 0.403 460 Q N 1.205 120.868 119.800 -0.229 0.000 2.344 460 Q HA 0.454 4.793 4.340 -0.000 0.000 0.253 460 Q C -0.878 175.029 176.000 -0.155 0.000 1.050 460 Q CA 0.553 56.236 55.803 -0.200 0.000 0.912 460 Q CB 0.973 29.597 28.738 -0.189 0.000 1.258 460 Q HN 0.659 nan 8.270 nan 0.000 0.443 461 I N 0.172 120.649 120.570 -0.154 0.000 3.102 461 I HA 0.618 4.788 4.170 -0.000 0.000 0.310 461 I C -0.180 175.883 176.117 -0.090 0.000 1.246 461 I CA -0.751 60.485 61.300 -0.108 0.000 0.979 461 I CB 2.193 40.127 38.000 -0.110 0.000 1.267 461 I HN 0.569 nan 8.210 nan 0.000 0.451 462 G N 1.564 110.328 108.800 -0.060 0.000 2.641 462 G HA2 0.151 4.110 3.960 -0.000 0.000 0.239 462 G HA3 0.151 4.110 3.960 -0.000 0.000 0.239 462 G C -0.834 174.041 174.900 -0.041 0.000 1.402 462 G CA -0.345 44.728 45.100 -0.045 0.000 1.046 462 G HN 0.621 nan 8.290 nan 0.000 0.565 463 D N 0.817 121.200 120.400 -0.028 0.000 2.661 463 D HA 0.002 4.642 4.640 -0.000 0.000 0.244 463 D C -0.769 175.518 176.300 -0.022 0.000 1.196 463 D CA -1.204 52.782 54.000 -0.023 0.000 0.881 463 D CB 1.179 41.971 40.800 -0.014 0.000 1.141 463 D HN -0.009 nan 8.370 nan 0.000 0.530 464 P HA -0.113 nan 4.420 nan 0.000 0.226 464 P C 0.852 178.146 177.300 -0.010 0.000 1.153 464 P CA 0.672 63.759 63.100 -0.022 0.000 0.777 464 P CB 0.079 31.760 31.700 -0.032 0.000 0.794 465 S N -1.827 113.867 115.700 -0.009 0.000 2.575 465 S HA 0.373 4.842 4.470 -0.000 0.000 0.215 465 S C 1.009 175.608 174.600 -0.002 0.000 0.966 465 S CA -0.313 57.885 58.200 -0.004 0.000 0.911 465 S CB -0.529 62.668 63.200 -0.005 0.000 0.780 465 S HN 0.140 nan 8.310 nan 0.000 0.514 466 A N 1.748 124.567 122.820 -0.003 0.000 2.271 466 A HA 0.654 4.974 4.320 -0.000 0.000 0.288 466 A C 1.482 179.067 177.584 0.002 0.000 1.094 466 A CA -0.005 52.031 52.037 -0.001 0.000 0.828 466 A CB 0.465 19.463 19.000 -0.003 0.000 1.091 466 A HN 0.555 nan 8.150 nan 0.000 0.493 467 S N 0.007 115.708 115.700 0.003 0.000 2.402 467 S HA 0.014 4.483 4.470 -0.000 0.000 0.229 467 S C 0.711 175.315 174.600 0.007 0.000 1.021 467 S CA 1.289 59.492 58.200 0.005 0.000 0.974 467 S CB -0.982 62.220 63.200 0.004 0.000 0.800 467 S HN 0.985 nan 8.310 nan 0.000 0.484 468 I N -3.674 116.899 120.570 0.006 0.000 3.174 468 I HA 0.539 4.709 4.170 -0.000 0.000 0.313 468 I C -2.807 173.312 176.117 0.003 0.000 1.155 468 I CA -2.899 58.405 61.300 0.007 0.000 0.977 468 I CB 1.679 39.684 38.000 0.009 0.000 1.248 468 I HN -0.325 nan 8.210 nan 0.000 0.453 469 P HA 0.075 nan 4.420 nan 0.000 0.251 469 P C 1.016 178.310 177.300 -0.011 0.000 1.223 469 P CA 0.643 63.740 63.100 -0.006 0.000 0.796 469 P CB 0.056 31.753 31.700 -0.004 0.000 1.068 470 T N -4.689 109.863 114.554 -0.004 0.000 3.054 470 T HA 0.166 4.516 4.350 -0.000 0.000 0.259 470 T C -1.459 173.239 174.700 -0.003 0.000 1.092 470 T CA -0.302 61.797 62.100 -0.002 0.000 1.121 470 T CB -2.038 66.834 68.868 0.007 0.000 0.912 470 T HN 0.114 nan 8.240 nan 0.000 0.489 471 P HA 0.186 nan 4.420 nan 0.000 0.268 471 P C 0.107 177.402 177.300 -0.008 0.000 1.208 471 P CA -0.184 62.913 63.100 -0.004 0.000 0.777 471 P CB 0.364 32.062 31.700 -0.003 0.000 0.875 472 Q N 2.139 121.935 119.800 -0.006 0.000 2.394 472 Q HA 0.234 4.573 4.340 -0.000 0.000 0.248 472 Q C -1.991 174.003 176.000 -0.010 0.000 0.992 472 Q CA -1.332 54.466 55.803 -0.007 0.000 0.888 472 Q CB -0.520 28.217 28.738 -0.002 0.000 1.257 472 Q HN 0.367 nan 8.270 nan 0.000 0.462 473 P HA 0.186 nan 4.420 nan 0.000 0.293 473 P C -0.720 176.563 177.300 -0.028 0.000 1.300 473 P CA -0.415 62.677 63.100 -0.014 0.000 0.792 473 P CB 0.810 32.505 31.700 -0.009 0.000 0.925 474 V N 5.692 125.587 119.914 -0.031 0.000 2.427 474 V HA 0.333 4.453 4.120 -0.000 0.000 0.268 474 V C 0.730 176.786 176.094 -0.065 0.000 1.046 474 V CA 0.311 62.579 62.300 -0.053 0.000 0.970 474 V CB -0.264 31.529 31.823 -0.049 0.000 1.001 474 V HN 0.632 nan 8.190 nan 0.000 0.476 475 M N 3.547 123.096 119.600 -0.085 0.000 2.622 475 M HA 0.775 5.255 4.480 -0.000 0.000 0.276 475 M C 0.049 176.262 176.300 -0.146 0.000 1.265 475 M CA -0.756 54.494 55.300 -0.082 0.000 0.850 475 M CB 1.946 34.520 32.600 -0.044 0.000 1.720 475 M HN 0.500 nan 8.290 nan 0.000 0.465 476 G N 1.612 110.339 108.800 -0.122 0.000 2.365 476 G HA2 0.531 4.491 3.960 -0.000 0.000 0.249 476 G HA3 0.531 4.491 3.960 -0.000 0.000 0.249 476 G C -0.780 173.832 174.900 -0.481 0.000 1.288 476 G CA -0.465 44.452 45.100 -0.305 0.000 0.887 476 G HN 0.696 nan 8.290 nan 0.000 0.524 477 R N 1.542 121.492 120.500 -0.916 0.000 2.651 477 R HA 0.311 4.650 4.340 -0.000 0.000 0.278 477 R C -0.260 175.640 176.300 -0.667 0.000 1.010 477 R CA -1.014 54.743 56.100 -0.571 0.000 0.896 477 R CB 2.495 32.595 30.300 -0.335 0.000 1.211 477 R HN 0.526 nan 8.270 nan 0.000 0.456 478 R N 2.052 122.409 120.500 -0.237 0.000 2.537 478 R HA 0.227 4.567 4.340 -0.000 0.000 0.280 478 R C 0.201 176.396 176.300 -0.176 0.000 1.058 478 R CA 0.228 56.286 56.100 -0.070 0.000 1.057 478 R CB 0.542 30.849 30.300 0.011 0.000 0.973 478 R HN 0.266 nan 8.270 nan 0.000 0.438 479 M N 1.257 120.774 119.600 -0.137 0.000 2.840 479 M HA 0.172 4.651 4.480 -0.000 0.000 0.283 479 M C 0.953 177.145 176.300 -0.180 0.000 1.136 479 M CA -0.644 54.535 55.300 -0.201 0.000 0.857 479 M CB -0.012 32.531 32.600 -0.095 0.000 1.644 479 M HN 0.515 nan 8.290 nan 0.000 0.520 480 Y N 0.430 120.709 120.300 -0.035 0.000 2.403 480 Y HA -0.075 4.475 4.550 -0.000 0.000 0.291 480 Y C 2.192 178.075 175.900 -0.029 0.000 1.143 480 Y CA 1.703 59.784 58.100 -0.032 0.000 1.257 480 Y CB -0.979 37.461 38.460 -0.034 0.000 0.984 480 Y HN 0.858 nan 8.280 nan 0.000 0.550 481 G N -0.931 107.928 108.800 0.098 0.000 2.470 481 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.220 481 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.220 481 G C 1.661 176.577 174.900 0.026 0.000 1.121 481 G CA 1.534 46.666 45.100 0.053 0.000 0.766 481 G HN 0.468 nan 8.290 nan 0.000 0.553 482 T N -2.098 112.463 114.554 0.011 0.000 3.081 482 T HA 0.361 4.710 4.350 -0.000 0.000 0.250 482 T C 0.614 175.296 174.700 -0.030 0.000 1.100 482 T CA -0.187 61.909 62.100 -0.006 0.000 1.038 482 T CB 0.290 69.159 68.868 0.003 0.000 0.962 482 T HN -0.073 nan 8.240 nan 0.000 0.516 483 V N 1.596 121.499 119.914 -0.019 0.000 2.617 483 V HA 0.680 4.800 4.120 -0.000 0.000 0.298 483 V C 1.541 177.615 176.094 -0.033 0.000 1.048 483 V CA 0.072 62.360 62.300 -0.020 0.000 0.964 483 V CB 0.419 32.249 31.823 0.012 0.000 1.004 483 V HN 0.784 nan 8.190 nan 0.000 0.466 484 G N 3.925 112.695 108.800 -0.050 0.000 2.582 484 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.288 484 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.288 484 G C 0.352 175.143 174.900 -0.182 0.000 1.247 484 G CA 0.586 45.644 45.100 -0.070 0.000 0.972 484 G HN 0.688 nan 8.290 nan 0.000 0.557 485 D N 0.155 120.453 120.400 -0.170 0.000 2.355 485 D HA 0.106 4.746 4.640 -0.000 0.000 0.218 485 D C 2.382 178.525 176.300 -0.261 0.000 1.004 485 D CA 0.494 54.308 54.000 -0.310 0.000 0.880 485 D CB 0.060 40.850 40.800 -0.017 0.000 0.911 485 D HN 0.267 nan 8.370 nan 0.000 0.528 486 L N 0.892 122.037 121.223 -0.129 0.000 2.191 486 L HA -0.012 4.327 4.340 -0.000 0.000 0.212 486 L C 1.824 178.660 176.870 -0.056 0.000 1.103 486 L CA 0.977 55.788 54.840 -0.049 0.000 0.769 486 L CB -0.486 41.572 42.059 -0.002 0.000 0.908 486 L HN 0.028 nan 8.230 nan 0.000 0.438 487 I N -1.068 119.419 120.570 -0.138 0.000 2.423 487 I HA -0.390 3.780 4.170 -0.000 0.000 0.254 487 I C 2.115 178.224 176.117 -0.013 0.000 1.151 487 I CA 1.394 62.639 61.300 -0.092 0.000 1.421 487 I CB -0.116 37.809 38.000 -0.126 0.000 1.079 487 I HN 0.499 nan 8.210 nan 0.000 0.431 488 H N -0.261 118.820 119.070 0.019 0.000 2.357 488 H HA -0.133 4.423 4.556 -0.000 0.000 0.301 488 H C 1.456 176.799 175.328 0.025 0.000 1.082 488 H CA 1.242 57.295 56.048 0.008 0.000 1.342 488 H CB 0.076 29.839 29.762 0.002 0.000 1.389 488 H HN 0.332 nan 8.280 nan 0.000 0.511 489 D N -0.378 120.118 120.400 0.160 0.000 2.289 489 D HA -0.073 4.567 4.640 -0.000 0.000 0.207 489 D C 1.925 178.344 176.300 0.198 0.000 0.966 489 D CA 1.317 55.407 54.000 0.150 0.000 0.868 489 D CB -0.098 40.774 40.800 0.119 0.000 0.943 489 D HN 0.486 nan 8.370 nan 0.000 0.514 490 T N -2.643 112.008 114.554 0.163 0.000 3.086 490 T HA 0.137 4.487 4.350 -0.000 0.000 0.250 490 T C 0.642 175.510 174.700 0.280 0.000 1.074 490 T CA -0.336 61.879 62.100 0.191 0.000 0.988 490 T CB 0.411 69.326 68.868 0.079 0.000 0.988 490 T HN -0.142 nan 8.240 nan 0.000 0.530 491 N N 0.720 119.534 118.700 0.191 0.000 2.262 491 N HA 0.554 5.293 4.740 -0.000 0.000 0.295 491 N C -1.490 173.968 175.510 -0.086 0.000 1.161 491 N CA -0.648 52.462 53.050 0.101 0.000 0.767 491 N CB 2.439 40.967 38.487 0.067 0.000 1.499 491 N HN 0.179 nan 8.380 nan 0.000 0.476 492 I N 0.882 121.312 120.570 -0.233 0.000 2.406 492 I HA 0.219 4.389 4.170 -0.000 0.000 0.290 492 I C 0.006 175.866 176.117 -0.429 0.000 0.999 492 I CA -0.471 60.530 61.300 -0.498 0.000 1.124 492 I CB 1.865 39.290 38.000 -0.958 0.000 1.289 492 I HN 0.208 nan 8.210 nan 0.000 0.441 493 T N 6.452 120.793 114.554 -0.355 0.000 2.747 493 T HA 0.390 4.739 4.350 -0.000 0.000 0.301 493 T C -0.273 174.253 174.700 -0.290 0.000 0.952 493 T CA -0.201 61.749 62.100 -0.251 0.000 0.983 493 T CB -0.236 68.536 68.868 -0.161 0.000 0.930 493 T HN 0.091 nan 8.240 nan 0.000 0.494 494 F N 3.981 123.911 119.950 -0.033 0.000 2.427 494 F HA 0.502 5.029 4.527 -0.000 0.000 0.352 494 F C 0.728 176.532 175.800 0.006 0.000 1.100 494 F CA -0.454 57.572 58.000 0.043 0.000 1.191 494 F CB 0.478 39.608 39.000 0.218 0.000 1.128 494 F HN 0.280 nan 8.300 nan 0.000 0.533 495 M N 1.452 121.177 119.600 0.209 0.000 2.631 495 M HA 0.348 4.827 4.480 -0.000 0.000 0.288 495 M C -0.388 175.992 176.300 0.134 0.000 1.260 495 M CA -1.083 54.286 55.300 0.114 0.000 0.842 495 M CB 2.523 35.145 32.600 0.037 0.000 1.743 495 M HN 0.532 nan 8.290 nan 0.000 0.461 496 S N 0.208 115.963 115.700 0.091 0.000 2.572 496 S HA 0.205 4.674 4.470 -0.000 0.000 0.279 496 S C 0.615 175.251 174.600 0.060 0.000 1.341 496 S CA -0.429 57.819 58.200 0.079 0.000 1.043 496 S CB 0.922 64.153 63.200 0.052 0.000 0.887 496 S HN 0.764 nan 8.310 nan 0.000 0.516 497 K N 1.449 121.882 120.400 0.055 0.000 2.074 497 K HA -0.161 4.159 4.320 -0.000 0.000 0.209 497 K C 2.581 179.195 176.600 0.023 0.000 1.048 497 K CA 1.846 58.155 56.287 0.036 0.000 0.926 497 K CB -0.518 31.997 32.500 0.026 0.000 0.713 497 K HN 0.865 nan 8.250 nan 0.000 0.444 498 S N 0.838 116.549 115.700 0.019 0.000 2.368 498 S HA -0.154 4.315 4.470 -0.000 0.000 0.224 498 S C 2.204 176.809 174.600 0.008 0.000 1.029 498 S CA 1.463 59.670 58.200 0.011 0.000 0.988 498 S CB -0.456 62.749 63.200 0.009 0.000 0.838 498 S HN 0.362 nan 8.310 nan 0.000 0.462 499 S N 2.348 118.054 115.700 0.010 0.000 2.382 499 S HA -0.012 4.458 4.470 -0.000 0.000 0.228 499 S C 1.879 176.479 174.600 -0.001 0.000 1.027 499 S CA 1.076 59.278 58.200 0.002 0.000 0.991 499 S CB -0.940 62.260 63.200 0.001 0.000 0.823 499 S HN 0.571 nan 8.310 nan 0.000 0.469 500 I N 1.519 122.093 120.570 0.007 0.000 2.202 500 I HA -0.167 4.003 4.170 -0.000 0.000 0.242 500 I C 3.077 179.194 176.117 -0.000 0.000 1.091 500 I CA 1.638 62.940 61.300 0.003 0.000 1.368 500 I CB -0.440 37.569 38.000 0.015 0.000 1.058 500 I HN 0.411 nan 8.210 nan 0.000 0.410 501 Q N 0.757 120.559 119.800 0.003 0.000 2.170 501 Q HA -0.237 4.102 4.340 -0.000 0.000 0.203 501 Q C 1.859 177.858 176.000 -0.003 0.000 0.976 501 Q CA 1.399 57.203 55.803 0.000 0.000 0.858 501 Q CB 0.097 28.836 28.738 0.002 0.000 0.907 501 Q HN 0.547 nan 8.270 nan 0.000 0.433 502 Q N -1.220 118.578 119.800 -0.003 0.000 2.365 502 Q HA 0.110 4.450 4.340 -0.000 0.000 0.203 502 Q C 0.485 176.479 176.000 -0.009 0.000 0.929 502 Q CA 0.361 56.161 55.803 -0.006 0.000 0.948 502 Q CB 0.609 29.345 28.738 -0.005 0.000 1.043 502 Q HN 0.579 nan 8.270 nan 0.000 0.505 503 G N 0.331 109.124 108.800 -0.011 0.000 2.176 503 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.252 503 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.252 503 G C 0.742 175.628 174.900 -0.022 0.000 1.024 503 G CA 0.293 45.383 45.100 -0.016 0.000 0.755 503 G HN 0.290 nan 8.290 nan 0.000 0.507 504 V N 0.638 120.537 119.914 -0.024 0.000 2.332 504 V HA -0.174 3.946 4.120 -0.000 0.000 0.248 504 V C 0.989 177.056 176.094 -0.045 0.000 1.055 504 V CA 2.727 65.007 62.300 -0.032 0.000 1.038 504 V CB -1.007 30.797 31.823 -0.032 0.000 0.651 504 V HN 0.435 nan 8.190 nan 0.000 0.450 505 P HA -0.181 nan 4.420 nan 0.000 0.215 505 P C 1.697 178.961 177.300 -0.060 0.000 1.157 505 P CA 2.193 65.256 63.100 -0.061 0.000 0.874 505 P CB -0.166 31.499 31.700 -0.058 0.000 0.790 506 A N -0.018 122.774 122.820 -0.047 0.000 1.930 506 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 506 A C 2.283 179.842 177.584 -0.041 0.000 1.175 506 A CA 1.608 53.620 52.037 -0.043 0.000 0.627 506 A CB -1.177 17.804 19.000 -0.032 0.000 0.815 506 A HN 0.116 nan 8.150 nan 0.000 0.443 507 K N -0.026 120.352 120.400 -0.037 0.000 2.057 507 K HA -0.073 4.247 4.320 -0.000 0.000 0.207 507 K C 1.406 177.980 176.600 -0.043 0.000 1.049 507 K CA 1.546 57.813 56.287 -0.034 0.000 0.931 507 K CB -0.261 32.222 32.500 -0.028 0.000 0.714 507 K HN 0.501 nan 8.250 nan 0.000 0.440 508 L N -0.125 121.064 121.223 -0.057 0.000 2.592 508 L HA 0.177 4.517 4.340 -0.000 0.000 0.227 508 L C 0.940 177.764 176.870 -0.077 0.000 1.127 508 L CA 0.348 55.146 54.840 -0.071 0.000 0.884 508 L CB 0.182 42.188 42.059 -0.088 0.000 1.065 508 L HN 0.501 nan 8.230 nan 0.000 0.457 509 G N 1.361 110.118 108.800 -0.072 0.000 2.221 509 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.265 509 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.265 509 G C 0.148 174.979 174.900 -0.115 0.000 1.041 509 G CA -0.171 44.880 45.100 -0.082 0.000 0.807 509 G HN 0.255 nan 8.290 nan 0.000 0.502 510 L N -0.527 120.625 121.223 -0.118 0.000 2.410 510 L HA 0.292 4.632 4.340 -0.000 0.000 0.273 510 L C 1.546 178.304 176.870 -0.187 0.000 1.144 510 L CA -0.105 54.645 54.840 -0.149 0.000 0.863 510 L CB 0.706 42.691 42.059 -0.123 0.000 1.140 510 L HN 0.105 nan 8.230 nan 0.000 0.463 511 K N 2.756 122.971 120.400 -0.307 0.000 2.360 511 K HA 0.186 4.506 4.320 -0.000 0.000 0.196 511 K C 0.533 176.987 176.600 -0.243 0.000 1.049 511 K CA -0.213 55.853 56.287 -0.367 0.000 1.049 511 K CB 0.550 32.619 32.500 -0.718 0.000 0.881 511 K HN 0.534 nan 8.250 nan 0.000 0.542 512 R N 1.702 122.097 120.500 -0.174 0.000 2.738 512 R HA 0.109 4.449 4.340 -0.000 0.000 0.268 512 R C 0.122 176.375 176.300 -0.079 0.000 1.062 512 R CA -0.005 56.062 56.100 -0.054 0.000 1.158 512 R CB 0.481 30.749 30.300 -0.052 0.000 1.046 512 R HN 0.032 nan 8.270 nan 0.000 0.493 513 R N 1.641 122.095 120.500 -0.077 0.000 2.570 513 R HA 0.056 4.396 4.340 -0.000 0.000 0.277 513 R C -0.129 176.053 176.300 -0.196 0.000 1.039 513 R CA 0.100 56.126 56.100 -0.123 0.000 1.065 513 R CB 0.285 30.481 30.300 -0.172 0.000 0.964 513 R HN 0.308 nan 8.270 nan 0.000 0.428 514 I N 2.231 122.707 120.570 -0.157 0.000 2.339 514 I HA 0.253 4.423 4.170 -0.000 0.000 0.290 514 I C 0.851 176.872 176.117 -0.160 0.000 0.994 514 I CA -0.232 60.974 61.300 -0.157 0.000 1.191 514 I CB 1.117 39.068 38.000 -0.082 0.000 1.343 514 I HN 0.674 nan 8.210 nan 0.000 0.458 515 G N 4.302 112.953 108.800 -0.248 0.000 2.388 515 G HA2 0.535 4.495 3.960 -0.000 0.000 0.330 515 G HA3 0.535 4.495 3.960 -0.000 0.000 0.330 515 G C -0.518 174.497 174.900 0.191 0.000 1.142 515 G CA -0.250 44.784 45.100 -0.110 0.000 0.908 515 G HN 0.489 nan 8.290 nan 0.000 0.473 516 T N 1.495 116.242 114.554 0.321 0.000 2.743 516 T HA 0.316 4.665 4.350 -0.000 0.000 0.293 516 T C 0.440 175.376 174.700 0.393 0.000 0.945 516 T CA -0.214 62.059 62.100 0.289 0.000 1.030 516 T CB 1.412 70.389 68.868 0.181 0.000 0.912 516 T HN 0.272 nan 8.240 nan 0.000 0.483 517 V N 6.154 126.250 119.914 0.304 0.000 2.508 517 V HA 0.420 4.540 4.120 -0.000 0.000 0.281 517 V C 0.359 176.534 176.094 0.135 0.000 1.041 517 V CA 0.056 62.505 62.300 0.249 0.000 1.016 517 V CB 0.072 32.028 31.823 0.222 0.000 0.984 517 V HN 0.914 nan 8.190 nan 0.000 0.478 518 K N 3.196 123.654 120.400 0.096 0.000 2.607 518 K HA 0.425 4.745 4.320 -0.000 0.000 0.287 518 K C -0.608 175.987 176.600 -0.009 0.000 0.996 518 K CA -1.034 55.257 56.287 0.006 0.000 0.876 518 K CB 1.177 33.633 32.500 -0.074 0.000 1.496 518 K HN 0.322 nan 8.250 nan 0.000 0.415 519 N N 0.133 118.818 118.700 -0.024 0.000 2.727 519 N HA -0.162 4.578 4.740 -0.000 0.000 0.251 519 N C 0.023 175.520 175.510 -0.021 0.000 1.040 519 N CA 0.927 53.962 53.050 -0.024 0.000 0.712 519 N CB -2.099 36.370 38.487 -0.031 0.000 0.912 519 N HN 0.706 nan 8.380 nan 0.000 0.545 520 C N -0.753 118.536 119.300 -0.018 0.000 2.865 520 C HA 0.196 4.656 4.460 -0.000 0.000 0.280 520 C C 1.928 176.903 174.990 -0.025 0.000 1.255 520 C CA -0.104 58.900 59.018 -0.025 0.000 1.705 520 C CB 0.170 27.902 27.740 -0.014 0.000 2.080 520 C HN 0.424 nan 8.230 nan 0.000 0.591 521 R N 2.254 122.742 120.500 -0.021 0.000 2.308 521 R HA 0.097 4.437 4.340 -0.000 0.000 0.202 521 R C 0.861 177.148 176.300 -0.021 0.000 0.898 521 R CA 0.510 56.599 56.100 -0.020 0.000 1.046 521 R CB -0.652 29.639 30.300 -0.015 0.000 1.026 521 R HN 0.702 nan 8.270 nan 0.000 0.512 522 N N 0.842 119.528 118.700 -0.024 0.000 2.214 522 N HA 0.060 4.800 4.740 -0.000 0.000 0.214 522 N C 0.635 176.128 175.510 -0.028 0.000 1.132 522 N CA -0.196 52.840 53.050 -0.023 0.000 0.856 522 N CB 0.098 38.572 38.487 -0.022 0.000 1.020 522 N HN 0.251 nan 8.380 nan 0.000 0.509 523 I N -4.028 116.522 120.570 -0.034 0.000 3.100 523 I HA 0.957 5.127 4.170 -0.000 0.000 0.312 523 I C 0.216 176.309 176.117 -0.041 0.000 1.063 523 I CA -1.264 60.010 61.300 -0.042 0.000 1.031 523 I CB 1.993 39.961 38.000 -0.054 0.000 1.243 523 I HN -0.064 nan 8.210 nan 0.000 0.483 524 G N 1.318 110.089 108.800 -0.047 0.000 2.682 524 G HA2 0.282 4.242 3.960 -0.000 0.000 0.303 524 G HA3 0.282 4.242 3.960 -0.000 0.000 0.303 524 G C -0.289 174.580 174.900 -0.053 0.000 1.341 524 G CA -0.513 44.562 45.100 -0.042 0.000 0.784 524 G HN 0.689 nan 8.290 nan 0.000 0.497 525 K N 0.433 120.807 120.400 -0.043 0.000 2.160 525 K HA -0.139 4.180 4.320 -0.000 0.000 0.206 525 K C 2.347 178.912 176.600 -0.058 0.000 1.047 525 K CA 2.483 58.741 56.287 -0.049 0.000 0.930 525 K CB -0.220 32.261 32.500 -0.031 0.000 0.720 525 K HN 0.530 nan 8.250 nan 0.000 0.450 526 K N -0.492 119.877 120.400 -0.052 0.000 2.280 526 K HA -0.128 4.192 4.320 -0.000 0.000 0.202 526 K C 0.657 177.210 176.600 -0.079 0.000 1.047 526 K CA 1.735 57.986 56.287 -0.059 0.000 0.942 526 K CB -0.016 32.456 32.500 -0.048 0.000 0.739 526 K HN 0.123 nan 8.250 nan 0.000 0.457 527 D N 0.505 120.855 120.400 -0.083 0.000 2.349 527 D HA 0.031 4.670 4.640 -0.000 0.000 0.215 527 D C 0.192 176.412 176.300 -0.132 0.000 1.016 527 D CA 0.347 54.286 54.000 -0.102 0.000 0.870 527 D CB 0.190 40.937 40.800 -0.088 0.000 0.917 527 D HN 0.223 nan 8.370 nan 0.000 0.524 528 M N 1.924 121.450 119.600 -0.123 0.000 2.220 528 M HA 0.067 4.546 4.480 -0.000 0.000 0.343 528 M C 0.330 176.542 176.300 -0.146 0.000 1.470 528 M CA -0.027 55.193 55.300 -0.133 0.000 1.161 528 M CB 0.504 33.041 32.600 -0.106 0.000 1.737 528 M HN -0.375 nan 8.290 nan 0.000 0.464 529 K N 3.182 123.464 120.400 -0.196 0.000 2.447 529 K HA -0.091 4.229 4.320 -0.000 0.000 0.281 529 K C 0.159 176.740 176.600 -0.031 0.000 1.031 529 K CA 0.294 56.437 56.287 -0.241 0.000 1.019 529 K CB -0.010 32.290 32.500 -0.333 0.000 0.918 529 K HN 0.787 nan 8.250 nan 0.000 0.476 530 W N 0.660 121.912 121.300 -0.080 0.000 3.245 530 W HA -0.286 4.374 4.660 -0.000 0.000 0.284 530 W C 0.190 176.649 176.519 -0.100 0.000 1.073 530 W CA 0.430 57.709 57.345 -0.111 0.000 0.611 530 W CB -1.579 27.764 29.460 -0.195 0.000 2.100 530 W HN 0.616 nan 8.180 nan 0.000 1.474 531 N N 0.512 119.249 118.700 0.063 0.000 2.636 531 N HA 0.032 4.772 4.740 -0.000 0.000 0.287 531 N C -0.015 175.479 175.510 -0.026 0.000 1.817 531 N CA 0.488 53.544 53.050 0.010 0.000 0.842 531 N CB 0.366 38.834 38.487 -0.031 0.000 1.353 531 N HN 0.253 nan 8.380 nan 0.000 0.500 532 D N -0.813 119.577 120.400 -0.017 0.000 2.501 532 D HA 0.057 4.697 4.640 -0.000 0.000 0.226 532 D C 0.247 176.533 176.300 -0.024 0.000 1.198 532 D CA -0.153 53.824 54.000 -0.038 0.000 0.830 532 D CB 0.226 40.991 40.800 -0.059 0.000 1.014 532 D HN -0.142 nan 8.370 nan 0.000 0.496 533 V N 1.684 121.590 119.914 -0.012 0.000 2.488 533 V HA 0.377 4.497 4.120 -0.000 0.000 0.277 533 V C 0.778 176.857 176.094 -0.025 0.000 1.046 533 V CA -0.197 62.098 62.300 -0.009 0.000 0.986 533 V CB 1.000 32.827 31.823 0.007 0.000 0.989 533 V HN 0.408 nan 8.190 nan 0.000 0.475 534 T N 1.194 115.730 114.554 -0.029 0.000 2.855 534 T HA 0.778 5.128 4.350 -0.000 0.000 0.281 534 T C -0.342 174.325 174.700 -0.054 0.000 1.007 534 T CA -0.615 61.458 62.100 -0.046 0.000 1.009 534 T CB 1.955 70.794 68.868 -0.048 0.000 0.983 534 T HN 0.787 nan 8.240 nan 0.000 0.455 535 T N 0.371 114.878 114.554 -0.078 0.000 2.775 535 T HA 0.275 4.625 4.350 -0.000 0.000 0.320 535 T C -2.157 172.480 174.700 -0.106 0.000 1.597 535 T CA -0.673 61.382 62.100 -0.074 0.000 1.022 535 T CB 1.849 70.690 68.868 -0.045 0.000 1.485 535 T HN 0.744 nan 8.240 nan 0.000 0.494 536 D N 2.480 122.826 120.400 -0.090 0.000 2.336 536 D HA 0.339 4.979 4.640 -0.000 0.000 0.249 536 D C -0.152 176.112 176.300 -0.060 0.000 1.213 536 D CA -0.094 53.849 54.000 -0.095 0.000 0.870 536 D CB 0.159 40.915 40.800 -0.074 0.000 1.076 536 D HN 0.456 nan 8.370 nan 0.000 0.483 537 I N 3.088 123.626 120.570 -0.055 0.000 2.304 537 I HA 0.141 4.311 4.170 -0.000 0.000 0.291 537 I C 0.245 176.351 176.117 -0.019 0.000 1.018 537 I CA -0.656 60.627 61.300 -0.028 0.000 1.260 537 I CB 1.262 39.251 38.000 -0.018 0.000 1.390 537 I HN 0.231 nan 8.210 nan 0.000 0.475 538 D N 7.442 127.832 120.400 -0.017 0.000 2.256 538 D HA 0.512 5.152 4.640 -0.000 0.000 0.240 538 D C -0.772 175.523 176.300 -0.009 0.000 1.062 538 D CA -0.276 53.716 54.000 -0.013 0.000 0.832 538 D CB 1.134 41.925 40.800 -0.014 0.000 1.135 538 D HN 0.316 nan 8.370 nan 0.000 0.484 539 I N 3.627 124.191 120.570 -0.009 0.000 2.355 539 I HA 0.206 4.375 4.170 -0.000 0.000 0.288 539 I C 0.199 176.325 176.117 0.016 0.000 0.999 539 I CA -0.922 60.378 61.300 0.000 0.000 1.163 539 I CB 1.393 39.382 38.000 -0.019 0.000 1.316 539 I HN 0.410 nan 8.210 nan 0.000 0.454 540 N N 9.121 127.845 118.700 0.040 0.000 2.452 540 N HA 0.086 4.826 4.740 -0.000 0.000 0.266 540 N C -1.562 174.009 175.510 0.101 0.000 1.209 540 N CA -1.181 51.895 53.050 0.043 0.000 0.929 540 N CB 1.468 39.972 38.487 0.029 0.000 1.063 540 N HN 0.355 nan 8.380 nan 0.000 0.472 541 P HA -0.074 nan 4.420 nan 0.000 0.220 541 P C 0.865 178.234 177.300 0.115 0.000 1.148 541 P CA 1.362 64.521 63.100 0.097 0.000 0.803 541 P CB 0.335 32.032 31.700 -0.004 0.000 0.782 542 E N 0.337 120.540 120.200 0.005 0.000 2.102 542 E HA -0.058 4.292 4.350 -0.000 0.000 0.190 542 E C 1.855 178.303 176.600 -0.254 0.000 0.971 542 E CA 1.759 58.100 56.400 -0.098 0.000 0.821 542 E CB -1.600 28.058 29.700 -0.070 0.000 0.777 542 E HN 0.452 nan 8.360 nan 0.000 0.460 543 T N -4.551 109.903 114.554 -0.166 0.000 3.014 543 T HA 0.089 4.438 4.350 -0.000 0.000 0.250 543 T C 0.715 175.336 174.700 -0.132 0.000 1.060 543 T CA 0.727 62.706 62.100 -0.202 0.000 1.040 543 T CB -0.079 68.740 68.868 -0.083 0.000 0.971 543 T HN 0.517 nan 8.240 nan 0.000 0.497 544 Y N 0.121 120.398 120.300 -0.039 0.000 4.907 544 Y HA -0.197 4.353 4.550 -0.000 0.000 0.246 544 Y C 0.462 176.334 175.900 -0.048 0.000 0.968 544 Y CA -0.156 57.916 58.100 -0.047 0.000 1.961 544 Y CB -2.913 35.514 38.460 -0.054 0.000 1.487 544 Y HN 0.354 nan 8.280 nan 0.000 0.575 545 E N 0.040 120.295 120.200 0.092 0.000 2.413 545 E HA 0.416 4.766 4.350 -0.000 0.000 0.263 545 E C 0.332 176.948 176.600 0.027 0.000 1.015 545 E CA 0.200 56.623 56.400 0.040 0.000 0.916 545 E CB 1.834 31.544 29.700 0.017 0.000 0.947 545 E HN 0.166 nan 8.360 nan 0.000 0.440 546 V N 3.876 123.795 119.914 0.009 0.000 2.435 546 V HA 0.447 4.567 4.120 -0.000 0.000 0.290 546 V C 0.252 176.345 176.094 -0.002 0.000 1.030 546 V CA -0.542 61.757 62.300 -0.002 0.000 0.881 546 V CB 1.523 33.338 31.823 -0.014 0.000 0.983 546 V HN 0.541 nan 8.190 nan 0.000 0.445 547 K N 3.094 123.491 120.400 -0.004 0.000 2.324 547 K HA 0.807 5.127 4.320 -0.000 0.000 0.253 547 K C -1.692 174.902 176.600 -0.009 0.000 0.932 547 K CA -0.658 55.626 56.287 -0.005 0.000 0.799 547 K CB 2.572 35.069 32.500 -0.005 0.000 1.154 547 K HN 0.442 nan 8.250 nan 0.000 0.425 548 V N 3.131 123.040 119.914 -0.007 0.000 2.569 548 V HA 0.125 4.245 4.120 -0.000 0.000 0.301 548 V C -0.757 175.332 176.094 -0.008 0.000 1.044 548 V CA -0.714 61.580 62.300 -0.011 0.000 0.874 548 V CB 1.691 33.509 31.823 -0.009 0.000 1.002 548 V HN 0.908 nan 8.190 nan 0.000 0.424 549 D N 4.195 124.588 120.400 -0.012 0.000 2.723 549 D HA -0.189 4.451 4.640 -0.000 0.000 0.236 549 D C 1.305 177.602 176.300 -0.006 0.000 1.138 549 D CA 1.816 55.811 54.000 -0.009 0.000 0.676 549 D CB -1.083 39.713 40.800 -0.005 0.000 1.069 549 D HN 1.474 nan 8.370 nan 0.000 0.430 550 G N -1.737 107.059 108.800 -0.007 0.000 2.234 550 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.260 550 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.260 550 G C 0.259 175.158 174.900 -0.001 0.000 0.987 550 G CA 1.293 46.391 45.100 -0.005 0.000 0.625 550 G HN 1.062 nan 8.290 nan 0.000 0.532 551 E N 0.413 120.613 120.200 0.001 0.000 2.191 551 E HA 0.740 5.089 4.350 -0.000 0.000 0.274 551 E C 0.140 176.743 176.600 0.005 0.000 0.948 551 E CA -0.141 56.262 56.400 0.004 0.000 0.802 551 E CB 1.926 31.631 29.700 0.008 0.000 1.137 551 E HN 1.120 nan 8.360 nan 0.000 0.397 552 V N 2.884 122.803 119.914 0.007 0.000 2.585 552 V HA 0.139 4.259 4.120 -0.000 0.000 0.296 552 V C 0.476 176.577 176.094 0.013 0.000 1.035 552 V CA -0.088 62.217 62.300 0.008 0.000 1.084 552 V CB 0.469 32.298 31.823 0.009 0.000 0.953 552 V HN 0.722 nan 8.190 nan 0.000 0.483 553 L N 5.456 126.685 121.223 0.010 0.000 2.268 553 L HA 0.473 4.813 4.340 -0.000 0.000 0.289 553 L C 0.233 177.112 176.870 0.015 0.000 1.064 553 L CA 0.358 55.208 54.840 0.015 0.000 0.824 553 L CB 0.941 43.005 42.059 0.009 0.000 1.202 553 L HN 0.755 nan 8.230 nan 0.000 0.433 554 T N 2.511 117.083 114.554 0.030 0.000 2.900 554 T HA 0.710 5.059 4.350 -0.000 0.000 0.303 554 T C -0.731 174.013 174.700 0.073 0.000 1.142 554 T CA -0.443 61.682 62.100 0.041 0.000 1.007 554 T CB 1.368 70.260 68.868 0.041 0.000 1.156 554 T HN 0.779 nan 8.240 nan 0.000 0.490 555 C N 0.429 119.799 119.300 0.117 0.000 3.323 555 C HA 1.044 5.504 4.460 -0.000 0.000 0.324 555 C C 0.103 175.230 174.990 0.228 0.000 1.428 555 C CA -0.457 58.651 59.018 0.149 0.000 1.368 555 C CB 0.655 28.485 27.740 0.150 0.000 1.731 555 C HN 1.107 nan 8.230 nan 0.000 0.455 556 E N 0.694 120.989 120.200 0.158 0.000 2.319 556 E HA 0.798 5.147 4.350 -0.000 0.000 0.268 556 E C -2.839 173.746 176.600 -0.026 0.000 1.050 556 E CA -1.707 54.753 56.400 0.100 0.000 0.878 556 E CB 0.098 29.814 29.700 0.026 0.000 1.066 556 E HN 0.789 nan 8.360 nan 0.000 0.406 557 P HA 0.337 nan 4.420 nan 0.000 0.277 557 P C -0.219 176.882 177.300 -0.332 0.000 1.240 557 P CA -0.288 62.336 63.100 -0.793 0.000 0.798 557 P CB 1.166 32.056 31.700 -1.351 0.000 0.979 558 V N -0.104 119.670 119.914 -0.233 0.000 2.713 558 V HA 0.390 4.510 4.120 -0.000 0.000 0.307 558 V C 1.226 177.257 176.094 -0.106 0.000 1.052 558 V CA -0.535 61.694 62.300 -0.117 0.000 0.967 558 V CB 1.363 33.154 31.823 -0.053 0.000 1.019 558 V HN 0.290 nan 8.190 nan 0.000 0.459 559 K N 0.715 121.075 120.400 -0.067 0.000 2.305 559 K HA 0.247 4.567 4.320 -0.000 0.000 0.199 559 K C 0.497 177.083 176.600 -0.024 0.000 1.047 559 K CA 1.081 57.339 56.287 -0.048 0.000 0.976 559 K CB -0.082 32.398 32.500 -0.033 0.000 0.765 559 K HN 0.932 nan 8.250 nan 0.000 0.474 560 E N -0.666 119.526 120.200 -0.013 0.000 2.331 560 E HA 0.500 4.850 4.350 -0.000 0.000 0.275 560 E C -1.508 175.103 176.600 0.018 0.000 0.895 560 E CA -0.485 55.919 56.400 0.008 0.000 0.753 560 E CB 1.500 31.207 29.700 0.012 0.000 1.216 560 E HN 0.026 nan 8.360 nan 0.000 0.434 561 L N 3.881 125.127 121.223 0.039 0.000 2.341 561 L HA 0.623 4.962 4.340 -0.000 0.000 0.267 561 L C -2.090 174.828 176.870 0.080 0.000 1.009 561 L CA -1.967 52.906 54.840 0.054 0.000 0.819 561 L CB 1.918 44.012 42.059 0.058 0.000 1.323 561 L HN 0.511 nan 8.230 nan 0.000 0.425 562 P HA 0.232 nan 4.420 nan 0.000 0.279 562 P C -0.222 177.175 177.300 0.161 0.000 1.282 562 P CA -0.409 62.762 63.100 0.119 0.000 0.788 562 P CB 0.701 32.450 31.700 0.081 0.000 1.139 563 M N -2.544 117.194 119.600 0.229 0.000 2.360 563 M HA -0.251 4.229 4.480 -0.000 0.000 0.202 563 M C 0.291 176.796 176.300 0.343 0.000 0.390 563 M CA 0.892 56.276 55.300 0.141 0.000 0.470 563 M CB -2.152 30.451 32.600 0.005 0.000 1.637 563 M HN 0.592 nan 8.290 nan 0.000 0.885 564 A N -0.384 122.695 122.820 0.433 0.000 2.446 564 A HA 0.324 4.643 4.320 -0.000 0.000 0.199 564 A C 0.999 178.851 177.584 0.447 0.000 1.677 564 A CA 0.159 52.459 52.037 0.439 0.000 1.600 564 A CB 0.141 19.278 19.000 0.228 0.000 1.583 564 A HN 0.447 nan 8.150 nan 0.000 0.551 565 Q N -0.203 119.745 119.800 0.246 0.000 2.436 565 Q HA -0.002 4.338 4.340 -0.000 0.000 0.209 565 Q C 1.908 177.949 176.000 0.068 0.000 0.965 565 Q CA 0.760 56.661 55.803 0.164 0.000 0.910 565 Q CB 0.018 28.809 28.738 0.088 0.000 0.980 565 Q HN 0.522 nan 8.270 nan 0.000 0.491 566 R N -0.510 119.992 120.500 0.003 0.000 2.189 566 R HA -0.126 4.214 4.340 -0.000 0.000 0.223 566 R C 0.772 176.836 176.300 -0.393 0.000 1.092 566 R CA 1.153 57.107 56.100 -0.243 0.000 0.989 566 R CB 0.263 30.316 30.300 -0.412 0.000 0.876 566 R HN 0.292 nan 8.270 nan 0.000 0.457 567 Y N -2.301 117.958 120.300 -0.070 0.000 2.581 567 Y HA 0.216 4.766 4.550 -0.000 0.000 0.271 567 Y C -0.006 175.688 175.900 -0.343 0.000 1.100 567 Y CA -0.273 57.680 58.100 -0.246 0.000 1.281 567 Y CB 0.528 38.691 38.460 -0.494 0.000 1.237 567 Y HN -0.180 nan 8.280 nan 0.000 0.514 568 F N -0.096 119.967 119.950 0.187 0.000 2.443 568 F HA 0.284 4.811 4.527 -0.000 0.000 0.335 568 F C 0.719 176.534 175.800 0.025 0.000 1.104 568 F CA -0.941 57.133 58.000 0.122 0.000 1.013 568 F CB 1.480 40.557 39.000 0.128 0.000 1.136 568 F HN -0.202 nan 8.300 nan 0.000 0.470 569 L N 2.240 123.571 121.223 0.181 0.000 2.240 569 L HA 0.184 4.524 4.340 -0.000 0.000 0.211 569 L C -0.430 176.190 176.870 -0.417 0.000 1.106 569 L CA 1.623 56.395 54.840 -0.112 0.000 0.793 569 L CB -0.379 41.632 42.059 -0.079 0.000 0.927 569 L HN 0.413 nan 8.230 nan 0.000 0.446 570 F N 0.000 120.039 119.950 0.148 0.000 2.286 570 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 570 F CA 0.000 58.050 58.000 0.084 0.000 1.383 570 F CB 0.000 39.030 39.000 0.049 0.000 1.145 570 F HN 0.000 nan 8.300 nan 0.000 0.574