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 1rp1_1_A DATA FIRST_RESID 1 DATA SEQUENCE KEVcYEQIGc FSDAEPWAGT AIRPLKVLPS PERIGTRFLL YTNKNPNNFQ DATA SEQUENCE TLLPDPSTIG ASNFQTDKKT RFIIHGFIDK GEENWLLDMc KNMFKVEEVN DATA SEQUENCE cICVDWKKGS QTSYTQAANN VRVVGAQVAQ MLSMLSANYS YSPSQVQLIG DATA SEQUENCE HSLGAHVAGE AGSRTPXGLG RITGLDPVEA SFQGTPEEVR LDPTDADFVD DATA SEQUENCE VIHTDAAPLI PFLGFGTSQQ MGHLDFFPNG GEEMPGcKKN ALSQIVDLDG DATA SEQUENCE IWEGTRDFVA cNHLRSYKYY SESILNPDGF ASYPcASYRA FESNKcFPcP DATA SEQUENCE DQGcPQMGHY ADKFAXXXXX XXQKYFLNTG DSSNFARWRY GVSITLSGKR DATA SEQUENCE ATGQAKVALF GSKGNTHQFN IFKGILKPGS THSNEFDAKL DVGTIEKVKF DATA SEQUENCE LWNNXNXXNP TFPKVGAAKI TVQKGEEKTV SFcSESTVRE DVLLTLTPcX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXS DATA SEQUENCE H 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 K HA 0.000 nan 4.320 nan 0.000 0.191 1 K C 0.000 176.588 176.600 -0.020 0.000 0.988 1 K CA 0.000 56.280 56.287 -0.012 0.000 0.838 1 K CB 0.000 32.495 32.500 -0.008 0.000 1.064 2 E N 2.063 122.239 120.200 -0.040 0.000 2.352 2 E HA 0.444 4.813 4.350 0.032 0.000 0.280 2 E C -1.685 174.857 176.600 -0.096 0.000 0.930 2 E CA -0.887 55.475 56.400 -0.063 0.000 0.765 2 E CB 2.087 31.744 29.700 -0.073 0.000 1.219 2 E HN 0.405 nan 8.360 nan 0.000 0.434 3 V N 0.233 120.071 119.914 -0.128 0.000 2.555 3 V HA 0.749 4.888 4.120 0.032 0.000 0.302 3 V C -0.567 175.298 176.094 -0.382 0.000 1.038 3 V CA -0.754 61.384 62.300 -0.271 0.000 0.887 3 V CB 1.123 32.754 31.823 -0.320 0.000 0.991 3 V HN 0.740 nan 8.190 nan 0.000 0.434 4 c N 4.836 123.151 118.600 -0.474 0.000 2.408 4 c HA 0.836 5.425 4.570 0.032 0.000 0.321 4 c C -0.834 173.003 174.090 -0.422 0.000 1.245 4 c CA -0.558 55.554 56.329 -0.362 0.000 1.523 4 c CB 0.536 42.933 42.510 -0.189 0.000 2.178 4 c HN 0.868 nan 8.230 nan 0.000 0.488 5 Y N 0.533 120.897 120.300 0.107 0.000 2.468 5 Y HA 0.384 4.953 4.550 0.032 0.000 0.342 5 Y C 0.626 176.557 175.900 0.051 0.000 1.021 5 Y CA -1.049 57.100 58.100 0.082 0.000 1.079 5 Y CB 0.703 39.230 38.460 0.113 0.000 1.226 5 Y HN 0.613 nan 8.280 nan 0.000 0.460 6 E N 2.123 122.444 120.200 0.201 0.000 2.608 6 E HA -0.127 4.242 4.350 0.032 0.000 0.259 6 E C -0.020 176.634 176.600 0.090 0.000 0.951 6 E CA 0.798 57.260 56.400 0.104 0.000 0.945 6 E CB 0.142 29.888 29.700 0.076 0.000 0.916 6 E HN 0.671 nan 8.360 nan 0.000 0.477 7 Q N 0.243 120.072 119.800 0.049 0.000 2.177 7 Q HA -0.276 4.083 4.340 0.032 0.000 0.174 7 Q C 1.144 177.167 176.000 0.038 0.000 0.609 7 Q CA 1.836 57.657 55.803 0.030 0.000 1.453 7 Q CB -1.309 27.440 28.738 0.019 0.000 1.591 7 Q HN 0.804 nan 8.270 nan 0.000 0.818 8 I N -4.371 116.252 120.570 0.088 0.000 3.976 8 I HA 0.507 4.697 4.170 0.032 0.000 0.337 8 I C 1.048 177.184 176.117 0.032 0.000 1.359 8 I CA 0.204 61.570 61.300 0.109 0.000 1.098 8 I CB 0.519 38.646 38.000 0.213 0.000 1.027 8 I HN 0.250 nan 8.210 nan 0.000 0.394 9 G N 1.468 110.251 108.800 -0.028 0.000 2.584 9 G HA2 -0.217 3.762 3.960 0.032 0.000 0.229 9 G HA3 -0.217 3.762 3.960 0.032 0.000 0.229 9 G C -0.442 174.281 174.900 -0.295 0.000 1.320 9 G CA -0.266 44.723 45.100 -0.185 0.000 0.891 9 G HN 0.482 nan 8.290 nan 0.000 0.573 10 c N -0.898 117.387 118.600 -0.524 0.000 2.562 10 c HA 0.908 5.497 4.570 0.032 0.000 0.332 10 c C -0.643 172.866 174.090 -0.970 0.000 1.201 10 c CA -0.555 55.459 56.329 -0.525 0.000 1.803 10 c CB 0.968 43.299 42.510 -0.298 0.000 2.328 10 c HN 0.604 nan 8.230 nan 0.000 0.500 11 F N 1.143 120.946 119.950 -0.245 0.000 2.557 11 F HA 0.552 5.099 4.527 0.032 0.000 0.316 11 F C 0.406 176.047 175.800 -0.265 0.000 1.141 11 F CA -0.332 57.481 58.000 -0.313 0.000 0.922 11 F CB 1.533 40.358 39.000 -0.291 0.000 1.194 11 F HN 0.633 nan 8.300 nan 0.000 0.443 12 S N -0.159 115.449 115.700 -0.154 0.000 2.704 12 S HA 0.510 4.999 4.470 0.032 0.000 0.305 12 S C -0.090 174.513 174.600 0.005 0.000 1.107 12 S CA -0.666 57.502 58.200 -0.053 0.000 0.993 12 S CB 1.671 64.866 63.200 -0.008 0.000 1.110 12 S HN 0.615 nan 8.310 nan 0.000 0.534 13 D N 0.166 120.607 120.400 0.069 0.000 2.388 13 D HA 0.349 5.009 4.640 0.032 0.000 0.221 13 D C 0.722 177.120 176.300 0.163 0.000 1.133 13 D CA -0.305 53.770 54.000 0.124 0.000 0.831 13 D CB -0.341 40.495 40.800 0.061 0.000 0.962 13 D HN 0.674 nan 8.370 nan 0.000 0.502 14 A N 0.975 123.914 122.820 0.199 0.000 2.327 14 A HA 0.316 4.655 4.320 0.032 0.000 0.255 14 A C 0.818 178.499 177.584 0.162 0.000 1.099 14 A CA -0.533 51.597 52.037 0.155 0.000 0.801 14 A CB 0.261 19.345 19.000 0.141 0.000 1.062 14 A HN 0.242 nan 8.150 nan 0.000 0.496 15 E N 1.100 121.318 120.200 0.031 0.000 2.398 15 E HA 0.155 4.524 4.350 0.032 0.000 0.263 15 E C -2.203 174.272 176.600 -0.207 0.000 1.046 15 E CA -1.443 54.902 56.400 -0.092 0.000 0.908 15 E CB -0.063 29.587 29.700 -0.085 0.000 0.963 15 E HN 0.455 nan 8.360 nan 0.000 0.431 16 P HA 0.067 nan 4.420 nan 0.000 0.256 16 P C 0.182 177.115 177.300 -0.611 0.000 1.384 16 P CA 0.030 62.814 63.100 -0.526 0.000 0.879 16 P CB -0.157 31.202 31.700 -0.568 0.000 1.403 17 W N 1.314 122.573 121.300 -0.067 0.000 2.436 17 W HA 0.260 4.939 4.660 0.031 0.000 0.284 17 W C 1.153 177.612 176.519 -0.101 0.000 1.225 17 W CA 0.537 57.831 57.345 -0.086 0.000 1.271 17 W CB -0.080 29.353 29.460 -0.046 0.000 1.114 17 W HN 0.033 nan 8.180 nan 0.000 0.559 18 A N -1.692 121.166 122.820 0.063 0.000 2.557 18 A HA 0.605 4.944 4.320 0.032 0.000 0.292 18 A C 0.763 178.339 177.584 -0.014 0.000 1.139 18 A CA -0.143 51.902 52.037 0.013 0.000 0.665 18 A CB 0.265 19.291 19.000 0.044 0.000 1.285 18 A HN 0.584 nan 8.150 nan 0.000 0.433 19 G N -0.910 107.879 108.800 -0.018 0.000 2.155 19 G HA2 -0.003 3.976 3.960 0.032 0.000 0.257 19 G HA3 -0.003 3.976 3.960 0.032 0.000 0.257 19 G C 0.575 175.452 174.900 -0.039 0.000 0.983 19 G CA 1.586 46.674 45.100 -0.021 0.000 0.676 19 G HN 2.434 nan 8.290 nan 0.000 0.528 20 T N -3.935 110.585 114.554 -0.056 0.000 2.949 20 T HA 0.821 5.190 4.350 0.032 0.000 0.287 20 T C 1.481 176.146 174.700 -0.058 0.000 1.034 20 T CA 0.306 62.366 62.100 -0.067 0.000 1.018 20 T CB 1.819 70.626 68.868 -0.101 0.000 1.135 20 T HN 1.259 nan 8.240 nan 0.000 0.532 21 A N 0.201 122.989 122.820 -0.053 0.000 1.968 21 A HA 0.170 4.509 4.320 0.032 0.000 0.217 21 A C 2.130 179.685 177.584 -0.049 0.000 1.169 21 A CA 0.823 52.834 52.037 -0.043 0.000 0.638 21 A CB -0.964 18.015 19.000 -0.035 0.000 0.812 21 A HN 0.837 nan 8.150 nan 0.000 0.446 22 I N -1.693 118.837 120.570 -0.067 0.000 2.716 22 I HA -0.025 4.165 4.170 0.032 0.000 0.259 22 I C 0.715 176.773 176.117 -0.098 0.000 1.172 22 I CA 0.662 61.916 61.300 -0.077 0.000 1.478 22 I CB 0.018 37.963 38.000 -0.091 0.000 1.104 22 I HN 0.134 nan 8.210 nan 0.000 0.439 23 R N 0.895 121.331 120.500 -0.108 0.000 2.644 23 R HA 0.202 4.561 4.340 0.032 0.000 0.271 23 R C -1.969 174.287 176.300 -0.073 0.000 1.687 23 R CA -1.209 54.823 56.100 -0.114 0.000 1.655 23 R CB 0.895 31.097 30.300 -0.163 0.000 1.285 23 R HN 0.003 nan 8.270 nan 0.000 0.643 24 P HA -0.164 nan 4.420 nan 0.000 0.214 24 P C 0.383 177.668 177.300 -0.025 0.000 1.162 24 P CA 0.855 63.934 63.100 -0.034 0.000 0.879 24 P CB 0.376 32.061 31.700 -0.025 0.000 0.786 25 L N 1.156 122.365 121.223 -0.025 0.000 2.462 25 L HA 0.037 4.396 4.340 0.032 0.000 0.272 25 L C 0.944 177.807 176.870 -0.011 0.000 1.166 25 L CA 0.670 55.500 54.840 -0.016 0.000 0.880 25 L CB -0.209 41.840 42.059 -0.017 0.000 1.142 25 L HN 0.060 nan 8.230 nan 0.000 0.473 26 K N 3.854 124.253 120.400 -0.001 0.000 2.171 26 K HA 0.345 4.684 4.320 0.032 0.000 0.274 26 K C -0.784 175.819 176.600 0.005 0.000 1.110 26 K CA -0.201 56.092 56.287 0.009 0.000 0.952 26 K CB 0.581 33.088 32.500 0.012 0.000 1.309 26 K HN 0.287 nan 8.250 nan 0.000 0.414 27 V N 4.906 124.821 119.914 0.001 0.000 2.531 27 V HA 0.346 4.485 4.120 0.032 0.000 0.301 27 V C -0.175 175.911 176.094 -0.013 0.000 1.034 27 V CA -0.975 61.319 62.300 -0.010 0.000 0.865 27 V CB 1.627 33.434 31.823 -0.028 0.000 0.995 27 V HN 0.570 nan 8.190 nan 0.000 0.424 28 L N 6.160 127.375 121.223 -0.013 0.000 2.379 28 L HA 0.499 4.859 4.340 0.032 0.000 0.269 28 L C -1.880 174.965 176.870 -0.042 0.000 1.084 28 L CA -1.586 53.242 54.840 -0.021 0.000 0.802 28 L CB 1.454 43.512 42.059 -0.002 0.000 1.175 28 L HN 0.440 nan 8.230 nan 0.000 0.448 29 P HA 0.029 nan 4.420 nan 0.000 0.330 29 P C -0.771 176.491 177.300 -0.064 0.000 1.377 29 P CA -0.315 62.688 63.100 -0.162 0.000 0.793 29 P CB 0.253 31.710 31.700 -0.406 0.000 1.813 30 S N -2.550 112.956 115.700 -0.324 0.000 2.681 30 S HA 0.433 4.922 4.470 0.032 0.000 0.299 30 S C -2.054 172.214 174.600 -0.554 0.000 1.113 30 S CA -1.289 56.450 58.200 -0.768 0.000 1.013 30 S CB 0.859 63.865 63.200 -0.325 0.000 1.076 30 S HN 0.071 nan 8.310 nan 0.000 0.534 31 P HA -0.153 nan 4.420 nan 0.000 0.215 31 P C 1.404 178.608 177.300 -0.159 0.000 1.153 31 P CA 1.653 64.577 63.100 -0.293 0.000 0.853 31 P CB -0.045 31.526 31.700 -0.214 0.000 0.788 32 E N -0.395 119.724 120.200 -0.135 0.000 2.208 32 E HA -0.190 4.179 4.350 0.032 0.000 0.193 32 E C 2.182 178.750 176.600 -0.053 0.000 0.988 32 E CA 0.638 56.999 56.400 -0.065 0.000 0.828 32 E CB -0.551 29.126 29.700 -0.037 0.000 0.763 32 E HN 0.114 nan 8.360 nan 0.000 0.478 33 R N 0.877 121.333 120.500 -0.074 0.000 2.073 33 R HA -0.011 4.349 4.340 0.032 0.000 0.229 33 R C 2.271 178.555 176.300 -0.027 0.000 1.120 33 R CA 1.238 57.312 56.100 -0.043 0.000 0.967 33 R CB -0.133 30.140 30.300 -0.045 0.000 0.862 33 R HN 0.242 nan 8.270 nan 0.000 0.436 34 I N -0.007 120.535 120.570 -0.045 0.000 2.252 34 I HA -0.058 4.131 4.170 0.032 0.000 0.245 34 I C 1.245 177.380 176.117 0.029 0.000 1.102 34 I CA 1.164 62.470 61.300 0.009 0.000 1.385 34 I CB -0.277 37.712 38.000 -0.018 0.000 1.064 34 I HN 0.538 nan 8.210 nan 0.000 0.414 35 G N 2.081 110.880 108.800 -0.002 0.000 2.272 35 G HA2 -0.239 3.741 3.960 0.032 0.000 0.280 35 G HA3 -0.239 3.741 3.960 0.032 0.000 0.280 35 G C 0.231 175.143 174.900 0.020 0.000 1.067 35 G CA 0.225 45.330 45.100 0.008 0.000 0.902 35 G HN 0.308 nan 8.290 nan 0.000 0.500 36 T N 1.105 115.672 114.554 0.021 0.000 2.871 36 T HA 0.341 4.710 4.350 0.032 0.000 0.296 36 T C 0.865 175.554 174.700 -0.018 0.000 0.998 36 T CA 0.379 62.473 62.100 -0.009 0.000 1.162 36 T CB 0.626 69.474 68.868 -0.034 0.000 0.947 36 T HN 0.518 nan 8.240 nan 0.000 0.536 37 R N 2.051 122.477 120.500 -0.124 0.000 2.562 37 R HA 0.447 4.806 4.340 0.032 0.000 0.298 37 R C -1.211 174.932 176.300 -0.262 0.000 0.961 37 R CA -0.700 55.343 56.100 -0.097 0.000 0.881 37 R CB 1.478 31.693 30.300 -0.140 0.000 1.159 37 R HN 0.461 nan 8.270 nan 0.000 0.450 38 F N 3.341 123.262 119.950 -0.049 0.000 2.325 38 F HA 0.358 4.905 4.527 0.033 0.000 0.369 38 F C 0.064 175.800 175.800 -0.107 0.000 1.095 38 F CA -0.623 57.358 58.000 -0.031 0.000 1.082 38 F CB 0.961 39.970 39.000 0.015 0.000 1.289 38 F HN 0.132 nan 8.300 nan 0.000 0.462 39 L N 5.324 126.510 121.223 -0.062 0.000 2.265 39 L HA 0.439 4.799 4.340 0.032 0.000 0.289 39 L C -0.528 176.274 176.870 -0.113 0.000 1.033 39 L CA -0.852 53.879 54.840 -0.182 0.000 0.814 39 L CB 1.228 43.097 42.059 -0.316 0.000 1.203 39 L HN 0.431 nan 8.230 nan 0.000 0.423 40 L N 4.415 125.554 121.223 -0.139 0.000 2.289 40 L HA 0.483 4.843 4.340 0.032 0.000 0.285 40 L C -1.191 175.535 176.870 -0.239 0.000 1.049 40 L CA 0.242 55.027 54.840 -0.091 0.000 0.804 40 L CB 0.658 42.712 42.059 -0.010 0.000 1.195 40 L HN 0.262 nan 8.230 nan 0.000 0.428 41 Y N 2.544 122.922 120.300 0.129 0.000 2.425 41 Y HA 0.719 5.289 4.550 0.033 0.000 0.344 41 Y C 0.336 176.361 175.900 0.208 0.000 0.969 41 Y CA -0.480 57.739 58.100 0.198 0.000 1.052 41 Y CB 2.354 41.015 38.460 0.335 0.000 1.215 41 Y HN 0.735 nan 8.280 nan 0.000 0.451 42 T N -2.548 112.036 114.554 0.049 0.000 2.838 42 T HA 0.318 4.688 4.350 0.032 0.000 0.292 42 T C 0.195 174.339 174.700 -0.926 0.000 1.113 42 T CA -0.939 61.005 62.100 -0.261 0.000 1.008 42 T CB 1.286 70.056 68.868 -0.163 0.000 1.259 42 T HN 0.454 nan 8.240 nan 0.000 0.520 43 N N 0.243 118.413 118.700 -0.882 0.000 2.205 43 N HA -0.052 4.707 4.740 0.032 0.000 0.186 43 N C 1.644 176.891 175.510 -0.437 0.000 1.015 43 N CA 0.971 53.536 53.050 -0.808 0.000 0.862 43 N CB -0.181 38.099 38.487 -0.343 0.000 0.986 43 N HN 0.504 nan 8.380 nan 0.000 0.429 44 K N 0.362 120.585 120.400 -0.295 0.000 2.103 44 K HA -0.035 4.304 4.320 0.032 0.000 0.204 44 K C 0.103 176.610 176.600 -0.155 0.000 1.052 44 K CA 1.017 57.200 56.287 -0.174 0.000 0.945 44 K CB -0.362 32.065 32.500 -0.122 0.000 0.722 44 K HN 0.556 nan 8.250 nan 0.000 0.443 45 N N 0.404 119.001 118.700 -0.173 0.000 2.844 45 N HA 0.136 4.895 4.740 0.032 0.000 0.268 45 N C -2.236 173.270 175.510 -0.006 0.000 1.574 45 N CA -1.279 51.723 53.050 -0.080 0.000 0.838 45 N CB 1.329 39.781 38.487 -0.057 0.000 1.177 45 N HN -0.183 nan 8.380 nan 0.000 0.495 46 P HA -0.042 nan 4.420 nan 0.000 0.229 46 P C -0.079 177.377 177.300 0.260 0.000 1.160 46 P CA 0.819 63.978 63.100 0.098 0.000 0.777 46 P CB 0.430 32.126 31.700 -0.007 0.000 0.814 47 N N -0.833 117.990 118.700 0.205 0.000 2.510 47 N HA 0.070 4.830 4.740 0.032 0.000 0.186 47 N C 0.355 176.041 175.510 0.293 0.000 1.051 47 N CA 0.261 53.426 53.050 0.192 0.000 0.877 47 N CB 0.260 38.802 38.487 0.092 0.000 1.183 47 N HN 0.146 nan 8.380 nan 0.000 0.443 48 N N 1.278 120.106 118.700 0.213 0.000 2.342 48 N HA 0.202 4.961 4.740 0.032 0.000 0.293 48 N C -0.669 174.777 175.510 -0.107 0.000 1.026 48 N CA -0.442 52.640 53.050 0.053 0.000 0.857 48 N CB 1.713 40.133 38.487 -0.113 0.000 1.256 48 N HN 0.016 nan 8.380 nan 0.000 0.484 49 F N 0.077 119.870 119.950 -0.262 0.000 2.406 49 F HA 0.386 4.933 4.527 0.032 0.000 0.327 49 F C 0.189 175.814 175.800 -0.292 0.000 1.153 49 F CA -0.556 57.080 58.000 -0.607 0.000 1.218 49 F CB 0.513 39.127 39.000 -0.643 0.000 1.215 49 F HN 0.211 nan 8.300 nan 0.000 0.570 50 Q N 0.987 120.791 119.800 0.007 0.000 2.340 50 Q HA 0.341 4.700 4.340 0.032 0.000 0.268 50 Q C -1.047 175.040 176.000 0.146 0.000 1.031 50 Q CA -0.961 54.864 55.803 0.037 0.000 0.804 50 Q CB 2.224 30.945 28.738 -0.029 0.000 1.286 50 Q HN 0.749 nan 8.270 nan 0.000 0.448 51 T N 3.606 118.272 114.554 0.187 0.000 2.794 51 T HA 0.354 4.723 4.350 0.032 0.000 0.296 51 T C -0.044 174.696 174.700 0.068 0.000 0.949 51 T CA -0.208 61.978 62.100 0.144 0.000 1.101 51 T CB 0.130 69.097 68.868 0.164 0.000 0.905 51 T HN 0.284 nan 8.240 nan 0.000 0.516 52 L N 4.006 125.268 121.223 0.066 0.000 2.325 52 L HA 0.623 4.983 4.340 0.032 0.000 0.278 52 L C -0.442 176.427 176.870 -0.002 0.000 1.023 52 L CA -1.039 53.803 54.840 0.004 0.000 0.811 52 L CB 1.288 43.327 42.059 -0.033 0.000 1.249 52 L HN 0.390 nan 8.230 nan 0.000 0.431 53 L N 3.940 125.120 121.223 -0.073 0.000 2.356 53 L HA 0.412 4.771 4.340 0.032 0.000 0.277 53 L C -1.949 174.809 176.870 -0.187 0.000 0.996 53 L CA -1.522 53.265 54.840 -0.088 0.000 0.822 53 L CB 2.238 44.279 42.059 -0.031 0.000 1.256 53 L HN 0.375 nan 8.230 nan 0.000 0.413 54 P HA -0.055 nan 4.420 nan 0.000 0.261 54 P C -0.175 177.042 177.300 -0.138 0.000 1.650 54 P CA -0.259 62.671 63.100 -0.283 0.000 0.846 54 P CB -0.281 31.184 31.700 -0.391 0.000 1.758 55 D N 1.881 122.253 120.400 -0.047 0.000 8.267 55 D HA -0.166 4.493 4.640 0.032 0.000 0.138 55 D C -1.250 175.037 176.300 -0.022 0.000 1.262 55 D CA -0.160 53.823 54.000 -0.030 0.000 0.885 55 D CB 0.190 40.977 40.800 -0.021 0.000 1.723 55 D HN 0.174 nan 8.370 nan 0.000 0.984 56 P HA -0.200 nan 4.420 nan 0.000 0.217 56 P C 1.514 178.876 177.300 0.103 0.000 1.148 56 P CA 1.788 64.930 63.100 0.070 0.000 0.828 56 P CB -0.023 31.682 31.700 0.009 0.000 0.783 57 S N -0.925 114.801 115.700 0.043 0.000 2.419 57 S HA -0.195 4.294 4.470 0.032 0.000 0.235 57 S C 1.913 176.525 174.600 0.021 0.000 1.019 57 S CA 1.992 60.218 58.200 0.043 0.000 0.982 57 S CB -2.101 61.109 63.200 0.017 0.000 0.789 57 S HN 0.325 nan 8.310 nan 0.000 0.490 58 T N 0.655 115.204 114.554 -0.008 0.000 2.881 58 T HA 0.059 4.428 4.350 0.032 0.000 0.270 58 T C 1.738 176.396 174.700 -0.069 0.000 1.068 58 T CA 0.977 63.058 62.100 -0.031 0.000 1.131 58 T CB -0.583 68.263 68.868 -0.038 0.000 0.871 58 T HN 0.382 nan 8.240 nan 0.000 0.479 59 I N 1.849 122.345 120.570 -0.123 0.000 2.546 59 I HA 0.104 4.293 4.170 0.032 0.000 0.255 59 I C 2.801 178.803 176.117 -0.192 0.000 1.163 59 I CA 1.133 62.252 61.300 -0.302 0.000 1.457 59 I CB -1.713 35.885 38.000 -0.670 0.000 1.092 59 I HN 0.463 nan 8.210 nan 0.000 0.434 60 G N 0.520 109.305 108.800 -0.025 0.000 2.453 60 G HA2 0.004 3.983 3.960 0.032 0.000 0.215 60 G HA3 0.004 3.983 3.960 0.032 0.000 0.215 60 G C 1.450 176.357 174.900 0.012 0.000 1.147 60 G CA 0.579 45.703 45.100 0.039 0.000 0.802 60 G HN 0.441 nan 8.290 nan 0.000 0.535 61 A N 0.389 123.209 122.820 0.000 0.000 2.359 61 A HA 0.578 4.918 4.320 0.032 0.000 0.240 61 A C 1.141 178.717 177.584 -0.013 0.000 1.306 61 A CA 0.678 52.713 52.037 -0.004 0.000 0.898 61 A CB -0.446 18.552 19.000 -0.003 0.000 0.956 61 A HN 0.603 nan 8.150 nan 0.000 0.497 62 S N -1.502 114.190 115.700 -0.015 0.000 2.740 62 S HA 0.379 4.868 4.470 0.032 0.000 0.300 62 S C 0.118 174.719 174.600 0.001 0.000 1.147 62 S CA -0.729 57.466 58.200 -0.008 0.000 0.871 62 S CB 0.717 63.918 63.200 0.001 0.000 1.173 62 S HN 0.137 nan 8.310 nan 0.000 0.510 63 N N 0.035 118.733 118.700 -0.005 0.000 2.314 63 N HA 0.191 4.950 4.740 0.032 0.000 0.200 63 N C -0.528 174.967 175.510 -0.024 0.000 1.135 63 N CA -0.070 52.965 53.050 -0.024 0.000 0.835 63 N CB -0.357 38.095 38.487 -0.058 0.000 0.989 63 N HN 0.597 nan 8.380 nan 0.000 0.478 64 F N 2.055 121.920 119.950 -0.141 0.000 2.608 64 F HA -0.042 4.504 4.527 0.032 0.000 0.380 64 F C 0.619 176.314 175.800 -0.175 0.000 1.083 64 F CA 0.272 58.160 58.000 -0.187 0.000 1.266 64 F CB 0.511 39.345 39.000 -0.277 0.000 1.076 64 F HN -0.051 nan 8.300 nan 0.000 0.574 65 Q N 3.334 122.819 119.800 -0.525 0.000 2.333 65 Q HA 0.197 4.556 4.340 0.032 0.000 0.268 65 Q C 0.802 176.673 176.000 -0.215 0.000 1.007 65 Q CA -0.238 55.427 55.803 -0.229 0.000 0.810 65 Q CB 1.663 30.297 28.738 -0.174 0.000 1.264 65 Q HN 0.814 nan 8.270 nan 0.000 0.452 66 T N -1.059 113.550 114.554 0.091 0.000 3.007 66 T HA -0.125 4.244 4.350 0.032 0.000 0.270 66 T C 0.707 175.607 174.700 0.334 0.000 1.107 66 T CA 1.190 63.466 62.100 0.292 0.000 1.118 66 T CB -0.064 69.002 68.868 0.330 0.000 0.889 66 T HN 0.664 nan 8.240 nan 0.000 0.506 67 D N 0.071 120.568 120.400 0.162 0.000 2.358 67 D HA 0.169 4.828 4.640 0.032 0.000 0.224 67 D C 0.432 176.792 176.300 0.101 0.000 1.123 67 D CA -0.281 53.797 54.000 0.130 0.000 0.833 67 D CB 0.131 40.980 40.800 0.081 0.000 0.946 67 D HN 0.177 nan 8.370 nan 0.000 0.505 68 K N 0.202 120.663 120.400 0.102 0.000 2.352 68 K HA 0.403 4.742 4.320 0.032 0.000 0.240 68 K C 0.327 177.013 176.600 0.143 0.000 1.017 68 K CA -0.797 55.526 56.287 0.059 0.000 0.851 68 K CB 1.699 34.172 32.500 -0.045 0.000 1.261 68 K HN -0.166 nan 8.250 nan 0.000 0.451 69 K N 1.093 121.561 120.400 0.114 0.000 2.107 69 K HA 0.360 4.699 4.320 0.032 0.000 0.251 69 K C -0.146 176.537 176.600 0.139 0.000 1.012 69 K CA -0.168 56.219 56.287 0.166 0.000 0.920 69 K CB 0.648 33.221 32.500 0.121 0.000 1.033 69 K HN 0.499 nan 8.250 nan 0.000 0.478 70 T N 1.968 116.656 114.554 0.223 0.000 2.861 70 T HA 0.485 4.855 4.350 0.032 0.000 0.287 70 T C -0.471 174.354 174.700 0.208 0.000 1.003 70 T CA -0.786 61.403 62.100 0.149 0.000 0.977 70 T CB 1.331 70.348 68.868 0.249 0.000 0.996 70 T HN 0.315 nan 8.240 nan 0.000 0.448 71 R N 1.804 122.381 120.500 0.128 0.000 2.500 71 R HA 0.427 4.786 4.340 0.032 0.000 0.299 71 R C -1.344 175.049 176.300 0.156 0.000 1.038 71 R CA -0.597 55.615 56.100 0.186 0.000 0.903 71 R CB 1.231 31.614 30.300 0.137 0.000 1.177 71 R HN 0.428 nan 8.270 nan 0.000 0.455 72 F N 3.186 123.183 119.950 0.079 0.000 2.384 72 F HA 0.433 4.979 4.527 0.031 0.000 0.338 72 F C 0.668 176.470 175.800 0.005 0.000 1.103 72 F CA -0.508 57.531 58.000 0.065 0.000 1.157 72 F CB 0.966 40.019 39.000 0.087 0.000 1.167 72 F HN 0.239 nan 8.300 nan 0.000 0.529 73 I N 5.085 125.737 120.570 0.137 0.000 2.382 73 I HA 0.368 4.557 4.170 0.032 0.000 0.286 73 I C -0.840 175.277 176.117 -0.001 0.000 1.002 73 I CA -0.339 60.966 61.300 0.008 0.000 1.135 73 I CB 1.166 39.077 38.000 -0.148 0.000 1.288 73 I HN 0.363 nan 8.210 nan 0.000 0.448 74 I N 6.016 126.619 120.570 0.056 0.000 2.382 74 I HA 0.283 4.472 4.170 0.032 0.000 0.286 74 I C 0.437 176.667 176.117 0.190 0.000 1.002 74 I CA -0.723 60.622 61.300 0.075 0.000 1.135 74 I CB 0.921 38.942 38.000 0.034 0.000 1.288 74 I HN 0.595 nan 8.210 nan 0.000 0.448 75 H N 4.412 123.608 119.070 0.211 0.000 2.509 75 H HA 0.684 5.258 4.556 0.031 0.000 0.360 75 H C -0.147 175.443 175.328 0.436 0.000 1.398 75 H CA -0.213 56.050 56.048 0.358 0.000 1.429 75 H CB 1.484 31.297 29.762 0.084 0.000 1.611 75 H HN 0.646 nan 8.280 nan 0.000 0.606 76 G N -0.293 108.868 108.800 0.601 0.000 3.324 76 G HA2 0.169 4.148 3.960 0.032 0.000 0.188 76 G HA3 0.169 4.148 3.960 0.032 0.000 0.188 76 G C -1.021 174.257 174.900 0.630 0.000 1.384 76 G CA -0.664 44.750 45.100 0.524 0.000 0.841 76 G HN 0.525 nan 8.290 nan 0.000 0.758 77 F N 2.394 122.685 119.950 0.568 0.000 2.571 77 F HA 0.389 4.940 4.527 0.041 0.000 0.384 77 F C -0.018 175.953 175.800 0.285 0.000 1.058 77 F CA -0.481 57.675 58.000 0.259 0.000 1.200 77 F CB 0.376 39.452 39.000 0.126 0.000 1.077 77 F HN -0.096 nan 8.300 nan 0.000 0.558 78 I N 6.018 126.386 120.570 -0.337 0.000 2.312 78 I HA 0.145 4.335 4.170 0.032 0.000 0.290 78 I C -0.218 175.675 176.117 -0.373 0.000 1.008 78 I CA -0.462 60.730 61.300 -0.179 0.000 1.226 78 I CB 0.983 38.833 38.000 -0.251 0.000 1.371 78 I HN 0.500 nan 8.210 nan 0.000 0.468 79 D N 6.004 126.426 120.400 0.038 0.000 2.193 79 D HA 0.236 4.895 4.640 0.032 0.000 0.249 79 D C -0.121 176.209 176.300 0.050 0.000 1.034 79 D CA -0.456 53.629 54.000 0.142 0.000 0.902 79 D CB 1.260 42.254 40.800 0.322 0.000 1.182 79 D HN 0.400 nan 8.370 nan 0.000 0.436 80 K N 1.151 121.570 120.400 0.032 0.000 2.524 80 K HA 0.328 4.667 4.320 0.032 0.000 0.279 80 K C 1.000 177.619 176.600 0.032 0.000 0.993 80 K CA 0.171 56.466 56.287 0.013 0.000 1.030 80 K CB 0.126 32.634 32.500 0.012 0.000 0.891 80 K HN 0.536 nan 8.250 nan 0.000 0.488 81 G N 1.622 110.436 108.800 0.023 0.000 2.205 81 G HA2 -0.252 3.728 3.960 0.032 0.000 0.261 81 G HA3 -0.252 3.728 3.960 0.032 0.000 0.261 81 G C 0.524 175.460 174.900 0.060 0.000 0.980 81 G CA 0.264 45.385 45.100 0.034 0.000 0.632 81 G HN 0.690 nan 8.290 nan 0.000 0.533 82 E N 0.226 120.475 120.200 0.082 0.000 2.481 82 E HA 0.187 4.556 4.350 0.032 0.000 0.198 82 E C 1.883 178.576 176.600 0.155 0.000 1.027 82 E CA 0.553 57.050 56.400 0.162 0.000 0.900 82 E CB 0.096 29.937 29.700 0.236 0.000 0.993 82 E HN 0.653 nan 8.360 nan 0.000 0.482 83 E N 0.822 121.039 120.200 0.027 0.000 2.171 83 E HA -0.181 4.189 4.350 0.032 0.000 0.197 83 E C 0.998 177.524 176.600 -0.122 0.000 0.997 83 E CA 1.173 57.526 56.400 -0.078 0.000 0.810 83 E CB -0.320 29.324 29.700 -0.093 0.000 0.738 83 E HN 0.249 nan 8.360 nan 0.000 0.467 84 N N 0.426 119.099 118.700 -0.045 0.000 2.314 84 N HA -0.011 4.748 4.740 0.032 0.000 0.200 84 N C 0.907 176.382 175.510 -0.058 0.000 1.135 84 N CA 0.065 53.069 53.050 -0.076 0.000 0.835 84 N CB 0.004 38.473 38.487 -0.030 0.000 0.989 84 N HN 0.407 nan 8.380 nan 0.000 0.478 85 W N 0.457 121.656 121.300 -0.169 0.000 2.363 85 W HA -0.164 4.518 4.660 0.037 0.000 0.296 85 W C 0.377 176.732 176.519 -0.273 0.000 1.212 85 W CA 0.378 57.585 57.345 -0.231 0.000 1.260 85 W CB -0.628 28.578 29.460 -0.422 0.000 1.131 85 W HN 0.020 nan 8.180 nan 0.000 0.530 86 L N 1.150 121.877 121.223 -0.826 0.000 2.046 86 L HA -0.219 4.141 4.340 0.032 0.000 0.208 86 L C 2.777 179.393 176.870 -0.423 0.000 1.077 86 L CA 1.501 55.800 54.840 -0.902 0.000 0.747 86 L CB -1.786 39.656 42.059 -1.030 0.000 0.896 86 L HN 0.047 nan 8.230 nan 0.000 0.432 87 L N -0.692 120.302 121.223 -0.382 0.000 2.109 87 L HA -0.125 4.234 4.340 0.032 0.000 0.207 87 L C 2.005 178.715 176.870 -0.266 0.000 1.086 87 L CA 1.670 56.261 54.840 -0.416 0.000 0.760 87 L CB -0.835 40.970 42.059 -0.423 0.000 0.910 87 L HN 0.218 nan 8.230 nan 0.000 0.437 88 D N -0.722 119.597 120.400 -0.136 0.000 2.144 88 D HA -0.247 4.412 4.640 0.032 0.000 0.199 88 D C 2.187 178.459 176.300 -0.046 0.000 0.984 88 D CA 1.578 55.550 54.000 -0.046 0.000 0.834 88 D CB -0.056 40.774 40.800 0.049 0.000 0.955 88 D HN 0.413 nan 8.370 nan 0.000 0.465 89 M N -0.096 119.489 119.600 -0.025 0.000 2.132 89 M HA -0.154 4.345 4.480 0.032 0.000 0.263 89 M C 2.162 178.359 176.300 -0.172 0.000 1.065 89 M CA 1.163 56.459 55.300 -0.006 0.000 1.122 89 M CB -0.017 32.659 32.600 0.127 0.000 1.365 89 M HN 0.053 nan 8.290 nan 0.000 0.411 90 c N 0.880 119.298 118.600 -0.304 0.000 2.413 90 c HA -0.176 4.413 4.570 0.032 0.000 0.276 90 c C 2.487 176.023 174.090 -0.923 0.000 1.236 90 c CA 1.208 57.179 56.329 -0.597 0.000 1.735 90 c CB -1.074 41.104 42.510 -0.553 0.000 2.031 90 c HN 0.552 nan 8.230 nan 0.000 0.474 91 K N 0.696 120.791 120.400 -0.509 0.000 2.160 91 K HA -0.159 4.180 4.320 0.032 0.000 0.206 91 K C 1.634 178.139 176.600 -0.159 0.000 1.047 91 K CA 1.598 57.745 56.287 -0.235 0.000 0.930 91 K CB -0.195 32.279 32.500 -0.044 0.000 0.720 91 K HN 0.471 nan 8.250 nan 0.000 0.450 92 N N 0.239 118.841 118.700 -0.163 0.000 2.270 92 N HA -0.038 4.721 4.740 0.032 0.000 0.181 92 N C 1.553 176.985 175.510 -0.130 0.000 1.016 92 N CA 1.043 54.042 53.050 -0.086 0.000 0.870 92 N CB 0.019 38.480 38.487 -0.043 0.000 0.979 92 N HN 0.188 nan 8.380 nan 0.000 0.431 93 M N -0.546 118.894 119.600 -0.266 0.000 2.175 93 M HA -0.054 4.445 4.480 0.032 0.000 0.264 93 M C 1.004 177.270 176.300 -0.056 0.000 1.063 93 M CA 1.125 56.290 55.300 -0.225 0.000 1.119 93 M CB -0.241 32.186 32.600 -0.288 0.000 1.377 93 M HN -0.011 nan 8.290 nan 0.000 0.415 94 F N 0.801 120.756 119.950 0.007 0.000 2.408 94 F HA -0.110 4.436 4.527 0.033 0.000 0.300 94 F C 1.997 177.808 175.800 0.019 0.000 1.090 94 F CA 0.970 58.978 58.000 0.014 0.000 1.427 94 F CB -1.018 37.989 39.000 0.011 0.000 1.070 94 F HN 0.104 nan 8.300 nan 0.000 0.549 95 K N -0.092 120.405 120.400 0.161 0.000 2.366 95 K HA 0.042 4.381 4.320 0.032 0.000 0.198 95 K C 1.505 178.162 176.600 0.096 0.000 1.044 95 K CA 1.142 57.495 56.287 0.110 0.000 0.973 95 K CB 0.136 32.681 32.500 0.076 0.000 0.767 95 K HN 0.327 nan 8.250 nan 0.000 0.475 96 V N -1.857 118.115 119.914 0.095 0.000 3.398 96 V HA 0.191 4.330 4.120 0.032 0.000 0.298 96 V C -0.360 175.807 176.094 0.121 0.000 1.496 96 V CA -0.402 61.960 62.300 0.104 0.000 1.044 96 V CB -0.261 31.630 31.823 0.114 0.000 0.880 96 V HN 0.254 nan 8.190 nan 0.000 0.443 97 E N -0.976 119.304 120.200 0.134 0.000 2.409 97 E HA 0.448 4.817 4.350 0.032 0.000 0.280 97 E C -1.647 175.053 176.600 0.167 0.000 1.079 97 E CA -0.913 55.570 56.400 0.139 0.000 0.840 97 E CB 0.890 30.677 29.700 0.145 0.000 1.309 97 E HN 0.113 nan 8.360 nan 0.000 0.447 98 E N 1.028 121.301 120.200 0.122 0.000 2.115 98 E HA 0.469 4.838 4.350 0.032 0.000 0.282 98 E C -1.043 175.616 176.600 0.098 0.000 0.987 98 E CA -0.559 55.896 56.400 0.091 0.000 0.797 98 E CB 2.012 31.736 29.700 0.040 0.000 1.086 98 E HN 0.343 nan 8.360 nan 0.000 0.397 99 V N 3.365 123.362 119.914 0.138 0.000 3.242 99 V HA 0.257 4.396 4.120 0.032 0.000 0.298 99 V C -1.606 174.536 176.094 0.081 0.000 1.352 99 V CA -0.961 61.401 62.300 0.103 0.000 1.052 99 V CB 2.661 34.573 31.823 0.149 0.000 1.101 99 V HN 0.574 nan 8.190 nan 0.000 0.446 100 N N 2.393 121.050 118.700 -0.071 0.000 2.426 100 N HA 0.360 5.119 4.740 0.032 0.000 0.257 100 N C -0.942 174.552 175.510 -0.026 0.000 1.002 100 N CA -0.055 52.901 53.050 -0.157 0.000 0.942 100 N CB 1.384 39.531 38.487 -0.568 0.000 1.112 100 N HN 0.678 nan 8.380 nan 0.000 0.499 101 c N 5.162 123.823 118.600 0.102 0.000 2.271 101 c HA 0.538 5.127 4.570 0.032 0.000 0.323 101 c C -0.068 174.060 174.090 0.063 0.000 1.245 101 c CA -0.742 55.630 56.329 0.073 0.000 1.548 101 c CB -1.414 41.145 42.510 0.081 0.000 2.214 101 c HN 0.615 nan 8.230 nan 0.000 0.477 102 I N 6.211 126.716 120.570 -0.109 0.000 2.330 102 I HA 0.290 4.479 4.170 0.032 0.000 0.289 102 I C 0.129 176.231 176.117 -0.026 0.000 1.001 102 I CA -0.112 61.109 61.300 -0.131 0.000 1.193 102 I CB 0.805 38.498 38.000 -0.513 0.000 1.345 102 I HN 0.518 nan 8.210 nan 0.000 0.461 103 C N 6.364 125.690 119.300 0.044 0.000 2.415 103 C HA 0.356 4.835 4.460 0.032 0.000 0.369 103 C C 0.610 175.563 174.990 -0.062 0.000 1.279 103 C CA -0.629 58.379 59.018 -0.017 0.000 1.886 103 C CB 0.388 28.122 27.740 -0.008 0.000 2.468 103 C HN 0.453 nan 8.230 nan 0.000 0.553 104 V N 3.900 123.774 119.914 -0.066 0.000 2.311 104 V HA 0.211 4.350 4.120 0.032 0.000 0.275 104 V C -0.127 175.967 176.094 0.000 0.000 1.022 104 V CA 0.030 62.215 62.300 -0.191 0.000 0.830 104 V CB 1.053 32.746 31.823 -0.216 0.000 1.012 104 V HN 0.861 nan 8.190 nan 0.000 0.452 105 D N 5.934 126.316 120.400 -0.031 0.000 2.317 105 D HA 0.306 4.965 4.640 0.032 0.000 0.234 105 D C 0.139 176.570 176.300 0.218 0.000 1.112 105 D CA -0.627 53.460 54.000 0.144 0.000 0.840 105 D CB 0.763 41.526 40.800 -0.063 0.000 1.078 105 D HN 0.621 nan 8.370 nan 0.000 0.486 106 W N 4.562 125.939 121.300 0.128 0.000 1.641 106 W HA 0.317 4.996 4.660 0.033 0.000 0.294 106 W C 0.530 177.119 176.519 0.117 0.000 0.886 106 W CA -0.708 56.635 57.345 -0.004 0.000 2.194 106 W CB -0.742 28.635 29.460 -0.137 0.000 1.139 106 W HN 0.347 nan 8.180 nan 0.000 0.502 107 K N 1.999 122.397 120.400 -0.005 0.000 2.089 107 K HA -0.229 4.110 4.320 0.032 0.000 0.210 107 K C 1.914 178.453 176.600 -0.101 0.000 1.048 107 K CA 2.609 58.807 56.287 -0.148 0.000 0.926 107 K CB 0.103 32.476 32.500 -0.211 0.000 0.714 107 K HN 0.059 nan 8.250 nan 0.000 0.448 108 K N -1.066 119.322 120.400 -0.020 0.000 2.152 108 K HA -0.112 4.227 4.320 0.032 0.000 0.206 108 K C 2.019 178.648 176.600 0.048 0.000 1.048 108 K CA 1.275 57.566 56.287 0.007 0.000 0.933 108 K CB -0.106 32.404 32.500 0.016 0.000 0.721 108 K HN 0.303 nan 8.250 nan 0.000 0.447 109 G N 0.580 109.459 108.800 0.131 0.000 2.572 109 G HA2 -0.159 3.820 3.960 0.032 0.000 0.216 109 G HA3 -0.159 3.820 3.960 0.032 0.000 0.216 109 G C 1.458 176.502 174.900 0.239 0.000 1.133 109 G CA 0.702 45.952 45.100 0.251 0.000 0.791 109 G HN 0.374 nan 8.290 nan 0.000 0.538 110 S N -0.499 115.144 115.700 -0.094 0.000 2.483 110 S HA 0.106 4.595 4.470 0.032 0.000 0.221 110 S C 1.213 175.870 174.600 0.095 0.000 1.030 110 S CA -0.170 57.906 58.200 -0.207 0.000 0.925 110 S CB 0.042 62.786 63.200 -0.759 0.000 0.795 110 S HN 0.359 nan 8.310 nan 0.000 0.511 111 Q N 2.002 121.828 119.800 0.043 0.000 3.027 111 Q HA 0.461 4.821 4.340 0.032 0.000 0.260 111 Q C -0.240 175.822 176.000 0.103 0.000 1.379 111 Q CA -0.131 55.721 55.803 0.082 0.000 1.038 111 Q CB 0.207 28.944 28.738 -0.003 0.000 1.578 111 Q HN 0.481 nan 8.270 nan 0.000 0.571 112 T N -1.568 113.083 114.554 0.161 0.000 2.653 112 T HA 0.265 4.634 4.350 0.032 0.000 0.306 112 T C -0.678 174.127 174.700 0.175 0.000 1.426 112 T CA -0.353 61.823 62.100 0.127 0.000 1.008 112 T CB 0.763 69.678 68.868 0.078 0.000 1.692 112 T HN 0.428 nan 8.240 nan 0.000 0.483 113 S N 0.652 116.426 115.700 0.124 0.000 2.569 113 S HA 0.132 4.621 4.470 0.032 0.000 0.274 113 S C 0.899 175.559 174.600 0.101 0.000 1.353 113 S CA -0.063 58.218 58.200 0.134 0.000 1.023 113 S CB 0.042 63.291 63.200 0.081 0.000 0.876 113 S HN 0.705 nan 8.310 nan 0.000 0.540 114 Y N 2.590 122.869 120.300 -0.035 0.000 2.181 114 Y HA -0.120 4.452 4.550 0.038 0.000 0.288 114 Y C 2.792 178.568 175.900 -0.206 0.000 1.146 114 Y CA 2.361 60.313 58.100 -0.246 0.000 1.164 114 Y CB -1.239 37.049 38.460 -0.287 0.000 0.982 114 Y HN 0.931 nan 8.280 nan 0.000 0.515 115 T N -1.638 112.817 114.554 -0.165 0.000 2.788 115 T HA -0.247 4.122 4.350 0.032 0.000 0.268 115 T C 1.723 176.292 174.700 -0.219 0.000 1.044 115 T CA 1.527 63.493 62.100 -0.225 0.000 1.139 115 T CB -0.444 68.371 68.868 -0.088 0.000 0.867 115 T HN 0.281 nan 8.240 nan 0.000 0.454 116 Q N 1.749 121.466 119.800 -0.137 0.000 2.123 116 Q HA 0.252 4.611 4.340 0.032 0.000 0.199 116 Q C 2.394 178.331 176.000 -0.106 0.000 0.966 116 Q CA 1.567 57.315 55.803 -0.091 0.000 0.845 116 Q CB -0.854 27.866 28.738 -0.030 0.000 0.907 116 Q HN 0.612 nan 8.270 nan 0.000 0.439 117 A N 0.108 122.835 122.820 -0.156 0.000 1.930 117 A HA 0.054 4.393 4.320 0.032 0.000 0.217 117 A C 2.239 179.730 177.584 -0.155 0.000 1.175 117 A CA 1.536 53.512 52.037 -0.102 0.000 0.627 117 A CB -0.975 17.915 19.000 -0.184 0.000 0.815 117 A HN 0.477 nan 8.150 nan 0.000 0.443 118 A N 0.215 122.783 122.820 -0.420 0.000 1.902 118 A HA -0.170 4.170 4.320 0.032 0.000 0.217 118 A C 1.950 179.462 177.584 -0.120 0.000 1.181 118 A CA 1.575 53.417 52.037 -0.326 0.000 0.623 118 A CB -0.537 18.051 19.000 -0.687 0.000 0.818 118 A HN 0.578 nan 8.150 nan 0.000 0.443 119 N N 0.059 118.661 118.700 -0.164 0.000 2.354 119 N HA -0.086 4.673 4.740 0.032 0.000 0.179 119 N C 0.855 176.270 175.510 -0.158 0.000 1.021 119 N CA 0.768 53.745 53.050 -0.122 0.000 0.887 119 N CB -0.258 38.163 38.487 -0.111 0.000 0.974 119 N HN 0.390 nan 8.380 nan 0.000 0.437 120 N N 0.930 119.550 118.700 -0.134 0.000 2.453 120 N HA -0.055 4.705 4.740 0.032 0.000 0.183 120 N C 1.777 177.086 175.510 -0.336 0.000 1.041 120 N CA 0.230 53.172 53.050 -0.179 0.000 0.900 120 N CB -0.251 38.232 38.487 -0.006 0.000 0.961 120 N HN 0.011 nan 8.380 nan 0.000 0.443 121 V N 1.484 121.219 119.914 -0.299 0.000 2.392 121 V HA -0.232 3.907 4.120 0.032 0.000 0.249 121 V C 2.269 178.181 176.094 -0.304 0.000 1.059 121 V CA 1.471 63.532 62.300 -0.397 0.000 1.051 121 V CB -0.272 31.509 31.823 -0.070 0.000 0.658 121 V HN 0.326 nan 8.190 nan 0.000 0.455 122 R N -0.682 119.687 120.500 -0.218 0.000 2.096 122 R HA -0.160 4.199 4.340 0.032 0.000 0.240 122 R C 2.213 178.358 176.300 -0.258 0.000 1.139 122 R CA 1.731 57.720 56.100 -0.185 0.000 0.952 122 R CB -0.725 29.426 30.300 -0.248 0.000 0.854 122 R HN 0.416 nan 8.270 nan 0.000 0.436 123 V N 0.665 120.269 119.914 -0.517 0.000 2.307 123 V HA -0.189 3.950 4.120 0.032 0.000 0.245 123 V C 2.440 178.363 176.094 -0.286 0.000 1.045 123 V CA 1.522 63.525 62.300 -0.495 0.000 1.024 123 V CB -0.255 31.214 31.823 -0.590 0.000 0.651 123 V HN 0.113 nan 8.190 nan 0.000 0.449 124 V N 1.006 120.682 119.914 -0.396 0.000 2.332 124 V HA -0.202 3.937 4.120 0.032 0.000 0.248 124 V C 2.627 178.558 176.094 -0.272 0.000 1.055 124 V CA 2.196 64.245 62.300 -0.419 0.000 1.038 124 V CB -1.516 29.778 31.823 -0.882 0.000 0.651 124 V HN 0.611 nan 8.190 nan 0.000 0.450 125 G N -0.471 108.178 108.800 -0.251 0.000 2.408 125 G HA2 -0.147 3.832 3.960 0.032 0.000 0.217 125 G HA3 -0.147 3.832 3.960 0.032 0.000 0.217 125 G C 1.720 176.591 174.900 -0.049 0.000 1.150 125 G CA 0.940 45.955 45.100 -0.141 0.000 0.776 125 G HN 0.618 nan 8.290 nan 0.000 0.542 126 A N 0.355 123.179 122.820 0.006 0.000 1.969 126 A HA -0.012 4.327 4.320 0.032 0.000 0.218 126 A C 2.310 179.926 177.584 0.054 0.000 1.169 126 A CA 1.692 53.777 52.037 0.079 0.000 0.635 126 A CB -0.276 18.882 19.000 0.263 0.000 0.810 126 A HN 0.458 nan 8.150 nan 0.000 0.445 127 Q N -0.602 119.229 119.800 0.051 0.000 2.172 127 Q HA -0.048 4.311 4.340 0.032 0.000 0.200 127 Q C 2.039 178.132 176.000 0.155 0.000 0.964 127 Q CA 1.320 57.189 55.803 0.110 0.000 0.855 127 Q CB -0.215 28.634 28.738 0.184 0.000 0.918 127 Q HN 0.487 nan 8.270 nan 0.000 0.444 128 V N 0.970 120.975 119.914 0.152 0.000 2.358 128 V HA -0.222 3.917 4.120 0.032 0.000 0.246 128 V C 2.251 178.305 176.094 -0.067 0.000 1.047 128 V CA 1.767 64.124 62.300 0.094 0.000 1.035 128 V CB -0.813 30.966 31.823 -0.073 0.000 0.658 128 V HN 0.368 nan 8.190 nan 0.000 0.452 129 A N -0.819 121.969 122.820 -0.053 0.000 1.972 129 A HA -0.293 4.047 4.320 0.032 0.000 0.219 129 A C 2.241 179.804 177.584 -0.035 0.000 1.169 129 A CA 2.028 54.035 52.037 -0.050 0.000 0.635 129 A CB -0.490 18.494 19.000 -0.027 0.000 0.810 129 A HN 0.610 nan 8.150 nan 0.000 0.446 130 Q N -1.325 118.457 119.800 -0.030 0.000 2.046 130 Q HA -0.215 4.144 4.340 0.032 0.000 0.200 130 Q C 2.048 178.001 176.000 -0.078 0.000 0.975 130 Q CA 1.927 57.705 55.803 -0.042 0.000 0.836 130 Q CB -0.212 28.506 28.738 -0.034 0.000 0.896 130 Q HN 0.578 nan 8.270 nan 0.000 0.428 131 M N 0.425 119.943 119.600 -0.136 0.000 2.108 131 M HA -0.157 4.342 4.480 0.032 0.000 0.261 131 M C 1.720 178.006 176.300 -0.025 0.000 1.066 131 M CA 1.582 56.783 55.300 -0.165 0.000 1.107 131 M CB -0.231 32.217 32.600 -0.253 0.000 1.356 131 M HN 0.299 nan 8.290 nan 0.000 0.406 132 L N -0.695 120.531 121.223 0.004 0.000 2.056 132 L HA -0.180 4.179 4.340 0.032 0.000 0.207 132 L C 2.493 179.398 176.870 0.058 0.000 1.078 132 L CA 1.500 56.377 54.840 0.062 0.000 0.749 132 L CB -1.032 41.033 42.059 0.010 0.000 0.901 132 L HN 0.505 nan 8.230 nan 0.000 0.433 133 S N -0.635 115.076 115.700 0.018 0.000 2.402 133 S HA -0.222 4.267 4.470 0.032 0.000 0.229 133 S C 2.004 176.617 174.600 0.022 0.000 1.021 133 S CA 0.921 59.132 58.200 0.019 0.000 0.974 133 S CB -0.392 62.808 63.200 0.000 0.000 0.800 133 S HN 0.350 nan 8.310 nan 0.000 0.484 134 M N 1.495 121.098 119.600 0.006 0.000 2.132 134 M HA 0.030 4.529 4.480 0.032 0.000 0.263 134 M C 2.030 178.367 176.300 0.061 0.000 1.065 134 M CA 1.418 56.722 55.300 0.007 0.000 1.122 134 M CB -0.696 31.886 32.600 -0.029 0.000 1.365 134 M HN 0.385 nan 8.290 nan 0.000 0.411 135 L N -0.511 120.758 121.223 0.076 0.000 2.017 135 L HA -0.220 4.140 4.340 0.032 0.000 0.208 135 L C 2.744 179.749 176.870 0.226 0.000 1.073 135 L CA 1.593 56.519 54.840 0.143 0.000 0.745 135 L CB -0.960 41.164 42.059 0.110 0.000 0.894 135 L HN 0.400 nan 8.230 nan 0.000 0.432 136 S N -0.258 115.548 115.700 0.177 0.000 2.351 136 S HA -0.249 4.240 4.470 0.032 0.000 0.220 136 S C 2.116 176.772 174.600 0.093 0.000 1.035 136 S CA 1.529 59.814 58.200 0.142 0.000 1.031 136 S CB -0.213 63.042 63.200 0.093 0.000 0.928 136 S HN 0.426 nan 8.310 nan 0.000 0.433 137 A N 1.657 124.508 122.820 0.052 0.000 1.841 137 A HA -0.118 4.221 4.320 0.032 0.000 0.216 137 A C 1.875 179.441 177.584 -0.032 0.000 1.199 137 A CA 2.041 54.083 52.037 0.008 0.000 0.621 137 A CB -1.227 17.768 19.000 -0.008 0.000 0.835 137 A HN 0.775 nan 8.150 nan 0.000 0.445 138 N N -2.535 116.124 118.700 -0.068 0.000 2.463 138 N HA 0.050 4.809 4.740 0.032 0.000 0.181 138 N C 0.137 175.353 175.510 -0.489 0.000 1.078 138 N CA 0.821 53.712 53.050 -0.265 0.000 0.902 138 N CB 0.052 38.338 38.487 -0.335 0.000 0.970 138 N HN 0.605 nan 8.380 nan 0.000 0.451 139 Y N -0.729 119.579 120.300 0.012 0.000 2.717 139 Y HA 0.285 4.854 4.550 0.032 0.000 0.250 139 Y C 0.369 176.335 175.900 0.109 0.000 1.149 139 Y CA -0.553 57.574 58.100 0.045 0.000 1.211 139 Y CB 0.307 38.775 38.460 0.012 0.000 1.289 139 Y HN -0.196 nan 8.280 nan 0.000 0.552 140 S N 0.495 116.303 115.700 0.181 0.000 3.521 140 S HA -0.320 4.169 4.470 0.032 0.000 0.362 140 S C -0.464 174.262 174.600 0.209 0.000 1.044 140 S CA 0.710 59.001 58.200 0.152 0.000 1.091 140 S CB -1.927 61.335 63.200 0.102 0.000 0.908 140 S HN 0.541 nan 8.310 nan 0.000 0.473 141 Y N 2.241 122.628 120.300 0.145 0.000 2.454 141 Y HA 0.511 5.080 4.550 0.032 0.000 0.345 141 Y C 0.439 176.415 175.900 0.127 0.000 0.970 141 Y CA -0.507 57.688 58.100 0.157 0.000 1.204 141 Y CB 0.820 39.406 38.460 0.210 0.000 1.122 141 Y HN 0.232 nan 8.280 nan 0.000 0.514 142 S N 7.645 123.236 115.700 -0.182 0.000 2.564 142 S HA 0.169 4.659 4.470 0.032 0.000 0.278 142 S C -1.387 173.142 174.600 -0.118 0.000 1.333 142 S CA -1.296 56.839 58.200 -0.109 0.000 1.048 142 S CB 0.727 63.863 63.200 -0.106 0.000 0.900 142 S HN 0.682 nan 8.310 nan 0.000 0.505 143 P HA -0.041 nan 4.420 nan 0.000 0.234 143 P C 1.154 178.474 177.300 0.034 0.000 1.167 143 P CA 0.654 63.793 63.100 0.065 0.000 0.763 143 P CB -0.239 31.498 31.700 0.060 0.000 0.835 144 S N -0.685 115.006 115.700 -0.015 0.000 2.474 144 S HA -0.088 4.401 4.470 0.032 0.000 0.235 144 S C 1.668 176.260 174.600 -0.013 0.000 0.997 144 S CA 0.598 58.793 58.200 -0.008 0.000 0.949 144 S CB -0.754 62.431 63.200 -0.025 0.000 0.766 144 S HN 0.102 nan 8.310 nan 0.000 0.517 145 Q N 0.883 120.641 119.800 -0.070 0.000 2.280 145 Q HA 0.380 4.739 4.340 0.032 0.000 0.202 145 Q C -0.412 175.664 176.000 0.127 0.000 0.903 145 Q CA 0.057 55.825 55.803 -0.058 0.000 0.948 145 Q CB 0.565 29.082 28.738 -0.368 0.000 1.058 145 Q HN 0.443 nan 8.270 nan 0.000 0.493 146 V N 0.954 120.967 119.914 0.165 0.000 2.680 146 V HA 0.364 4.503 4.120 0.032 0.000 0.309 146 V C -0.367 175.842 176.094 0.192 0.000 1.052 146 V CA -0.837 61.623 62.300 0.268 0.000 0.908 146 V CB 2.480 34.514 31.823 0.352 0.000 1.001 146 V HN 0.084 nan 8.190 nan 0.000 0.431 147 Q N 3.413 123.344 119.800 0.218 0.000 2.353 147 Q HA 0.697 5.056 4.340 0.032 0.000 0.268 147 Q C -2.016 174.089 176.000 0.174 0.000 1.045 147 Q CA -0.721 55.173 55.803 0.151 0.000 0.811 147 Q CB 2.163 30.974 28.738 0.120 0.000 1.305 147 Q HN 0.732 nan 8.270 nan 0.000 0.447 148 L N 5.157 126.426 121.223 0.078 0.000 2.325 148 L HA 0.526 4.885 4.340 0.032 0.000 0.281 148 L C -0.634 176.237 176.870 0.001 0.000 1.004 148 L CA -0.727 54.141 54.840 0.046 0.000 0.823 148 L CB 1.541 43.563 42.059 -0.062 0.000 1.236 148 L HN 0.630 nan 8.230 nan 0.000 0.415 149 I N 2.776 123.351 120.570 0.008 0.000 2.328 149 I HA 0.422 4.611 4.170 0.032 0.000 0.287 149 I C 0.535 176.650 176.117 -0.003 0.000 1.012 149 I CA -0.093 61.163 61.300 -0.075 0.000 1.195 149 I CB 1.563 39.464 38.000 -0.166 0.000 1.350 149 I HN 0.625 nan 8.210 nan 0.000 0.464 150 G N 5.031 113.816 108.800 -0.025 0.000 2.557 150 G HA2 0.291 4.270 3.960 0.032 0.000 0.310 150 G HA3 0.291 4.270 3.960 0.032 0.000 0.310 150 G C -1.255 173.682 174.900 0.063 0.000 1.328 150 G CA -0.330 44.785 45.100 0.025 0.000 0.945 150 G HN 0.638 nan 8.290 nan 0.000 0.494 151 H N 2.765 121.908 119.070 0.121 0.000 2.467 151 H HA 0.522 5.095 4.556 0.029 0.000 0.326 151 H C 0.736 176.150 175.328 0.143 0.000 1.094 151 H CA 0.533 56.643 56.048 0.103 0.000 1.253 151 H CB 1.579 31.458 29.762 0.195 0.000 1.439 151 H HN 0.767 nan 8.280 nan 0.000 0.479 152 S N 2.734 118.097 115.700 -0.561 0.000 3.961 152 S HA -0.307 4.182 4.470 0.032 0.000 0.627 152 S C 1.310 175.921 174.600 0.019 0.000 2.148 152 S CA 0.859 58.936 58.200 -0.205 0.000 4.099 152 S CB -1.043 62.042 63.200 -0.193 0.000 0.219 152 S HN 0.572 nan 8.310 nan 0.000 0.744 153 L N 2.805 124.187 121.223 0.264 0.000 2.127 153 L HA 0.111 4.470 4.340 0.032 0.000 0.211 153 L C 2.670 179.621 176.870 0.135 0.000 1.089 153 L CA 2.823 57.795 54.840 0.221 0.000 0.757 153 L CB -1.761 40.520 42.059 0.371 0.000 0.899 153 L HN 0.794 nan 8.230 nan 0.000 0.434 154 G N -1.473 107.457 108.800 0.217 0.000 2.462 154 G HA2 -0.245 3.734 3.960 0.032 0.000 0.220 154 G HA3 -0.245 3.734 3.960 0.032 0.000 0.220 154 G C 1.645 176.507 174.900 -0.064 0.000 1.121 154 G CA 0.809 45.989 45.100 0.133 0.000 0.758 154 G HN 0.555 nan 8.290 nan 0.000 0.559 155 A N 0.213 122.916 122.820 -0.195 0.000 1.969 155 A HA -0.050 4.289 4.320 0.032 0.000 0.218 155 A C 2.131 179.461 177.584 -0.423 0.000 1.169 155 A CA 1.536 53.367 52.037 -0.343 0.000 0.635 155 A CB -0.503 18.197 19.000 -0.500 0.000 0.810 155 A HN 0.456 nan 8.150 nan 0.000 0.445 156 H N -1.064 117.849 119.070 -0.261 0.000 2.482 156 H HA 0.051 4.626 4.556 0.031 0.000 0.286 156 H C 2.256 177.474 175.328 -0.183 0.000 1.017 156 H CA 1.264 57.125 56.048 -0.312 0.000 1.322 156 H CB -0.393 28.916 29.762 -0.756 0.000 1.426 156 H HN 0.291 nan 8.280 nan 0.000 0.546 157 V N 1.411 121.252 119.914 -0.122 0.000 2.295 157 V HA -0.253 3.887 4.120 0.032 0.000 0.246 157 V C 2.825 178.831 176.094 -0.146 0.000 1.049 157 V CA 1.721 63.899 62.300 -0.203 0.000 1.024 157 V CB -0.989 30.628 31.823 -0.343 0.000 0.648 157 V HN 0.450 nan 8.190 nan 0.000 0.447 158 A N 0.455 123.197 122.820 -0.131 0.000 1.902 158 A HA -0.115 4.225 4.320 0.032 0.000 0.217 158 A C 2.439 179.975 177.584 -0.079 0.000 1.181 158 A CA 2.034 54.004 52.037 -0.113 0.000 0.623 158 A CB -1.339 17.598 19.000 -0.106 0.000 0.818 158 A HN 0.539 nan 8.150 nan 0.000 0.443 159 G N -0.509 108.256 108.800 -0.059 0.000 2.476 159 G HA2 -0.264 3.715 3.960 0.032 0.000 0.218 159 G HA3 -0.264 3.715 3.960 0.032 0.000 0.218 159 G C 1.463 176.377 174.900 0.023 0.000 1.164 159 G CA 1.071 46.169 45.100 -0.004 0.000 0.768 159 G HN 0.497 nan 8.290 nan 0.000 0.560 160 E N 0.767 120.985 120.200 0.029 0.000 2.058 160 E HA -0.137 4.232 4.350 0.032 0.000 0.194 160 E C 3.028 179.631 176.600 0.006 0.000 0.997 160 E CA 1.129 57.556 56.400 0.044 0.000 0.801 160 E CB -0.574 29.145 29.700 0.031 0.000 0.746 160 E HN 0.340 nan 8.360 nan 0.000 0.450 161 A N 1.105 123.901 122.820 -0.040 0.000 1.892 161 A HA -0.159 4.181 4.320 0.032 0.000 0.218 161 A C 2.507 180.065 177.584 -0.043 0.000 1.188 161 A CA 2.292 54.291 52.037 -0.063 0.000 0.631 161 A CB -1.239 17.683 19.000 -0.129 0.000 0.822 161 A HN 0.364 nan 8.150 nan 0.000 0.447 162 G N -1.075 107.704 108.800 -0.035 0.000 2.446 162 G HA2 -0.232 3.748 3.960 0.032 0.000 0.217 162 G HA3 -0.232 3.748 3.960 0.032 0.000 0.217 162 G C 1.917 176.822 174.900 0.009 0.000 1.168 162 G CA 1.540 46.633 45.100 -0.013 0.000 0.771 162 G HN 0.579 nan 8.290 nan 0.000 0.551 163 S N 0.283 115.996 115.700 0.022 0.000 2.387 163 S HA -0.134 4.356 4.470 0.032 0.000 0.230 163 S C 2.336 176.952 174.600 0.026 0.000 1.035 163 S CA 1.541 59.763 58.200 0.037 0.000 1.014 163 S CB -0.167 63.072 63.200 0.065 0.000 0.836 163 S HN 0.483 nan 8.310 nan 0.000 0.466 164 R N -0.173 120.335 120.500 0.014 0.000 2.317 164 R HA 0.164 4.523 4.340 0.032 0.000 0.208 164 R C -0.156 176.143 176.300 -0.002 0.000 0.914 164 R CA 0.417 56.519 56.100 0.003 0.000 1.060 164 R CB 0.409 30.707 30.300 -0.003 0.000 1.015 164 R HN 0.182 nan 8.270 nan 0.000 0.498 165 T N 2.150 116.704 114.554 -0.000 0.000 3.141 165 T HA 0.278 4.647 4.350 0.032 0.000 0.377 165 T C -2.493 172.214 174.700 0.011 0.000 1.258 165 T CA -1.466 60.635 62.100 0.002 0.000 1.263 165 T CB 1.864 70.726 68.868 -0.009 0.000 1.066 165 T HN -0.136 nan 8.240 nan 0.000 0.546 169 L N 2.249 123.493 121.223 0.034 0.000 2.499 169 L HA 0.614 4.973 4.340 0.032 0.000 0.273 169 L C 1.570 178.474 176.870 0.056 0.000 1.195 169 L CA 1.111 55.975 54.840 0.039 0.000 0.882 169 L CB 0.999 43.072 42.059 0.024 0.000 1.133 169 L HN 0.047 nan 8.230 nan 0.000 0.483 170 G N 5.017 113.855 108.800 0.064 0.000 2.433 170 G HA2 -0.146 3.833 3.960 0.032 0.000 0.216 170 G HA3 -0.146 3.833 3.960 0.032 0.000 0.216 170 G C 0.583 175.557 174.900 0.124 0.000 1.186 170 G CA 0.755 45.904 45.100 0.081 0.000 0.779 170 G HN 0.709 nan 8.290 nan 0.000 0.543 171 R N -1.477 119.091 120.500 0.113 0.000 2.643 171 R HA 0.607 4.966 4.340 0.032 0.000 0.269 171 R C -2.102 174.225 176.300 0.046 0.000 1.037 171 R CA -0.732 55.440 56.100 0.120 0.000 0.894 171 R CB 1.162 31.589 30.300 0.211 0.000 1.238 171 R HN 0.058 nan 8.270 nan 0.000 0.459 172 I N 2.480 123.039 120.570 -0.017 0.000 2.499 172 I HA 0.313 4.502 4.170 0.032 0.000 0.288 172 I C -0.781 175.267 176.117 -0.115 0.000 1.048 172 I CA -0.713 60.551 61.300 -0.059 0.000 1.062 172 I CB 2.686 40.644 38.000 -0.071 0.000 1.238 172 I HN 0.602 nan 8.210 nan 0.000 0.426 173 T N 4.502 118.993 114.554 -0.105 0.000 2.770 173 T HA 0.457 4.826 4.350 0.032 0.000 0.283 173 T C 0.184 174.798 174.700 -0.145 0.000 0.988 173 T CA -0.568 61.458 62.100 -0.123 0.000 0.957 173 T CB 1.405 70.208 68.868 -0.108 0.000 0.930 173 T HN 0.735 nan 8.240 nan 0.000 0.443 174 G N 3.040 111.744 108.800 -0.160 0.000 2.319 174 G HA2 0.572 4.551 3.960 0.032 0.000 0.308 174 G HA3 0.572 4.551 3.960 0.032 0.000 0.308 174 G C -0.484 174.313 174.900 -0.171 0.000 1.117 174 G CA -0.612 44.374 45.100 -0.190 0.000 0.903 174 G HN 0.708 nan 8.290 nan 0.000 0.436 175 L N 2.865 124.020 121.223 -0.113 0.000 2.272 175 L HA 0.252 4.611 4.340 0.032 0.000 0.284 175 L C 0.070 176.912 176.870 -0.047 0.000 1.045 175 L CA -0.693 54.120 54.840 -0.045 0.000 0.842 175 L CB 1.027 43.119 42.059 0.055 0.000 1.224 175 L HN 0.597 nan 8.230 nan 0.000 0.430 176 D N 2.434 122.761 120.400 -0.122 0.000 2.904 176 D HA -0.125 4.534 4.640 0.032 0.000 0.231 176 D C -2.358 173.913 176.300 -0.049 0.000 1.185 176 D CA 0.073 54.030 54.000 -0.071 0.000 0.783 176 D CB -0.062 40.775 40.800 0.061 0.000 0.961 176 D HN 0.188 nan 8.370 nan 0.000 0.409 177 P HA 0.056 nan 4.420 nan 0.000 0.268 177 P C -0.064 177.271 177.300 0.059 0.000 1.205 177 P CA -0.554 62.428 63.100 -0.197 0.000 0.771 177 P CB 0.784 32.285 31.700 -0.331 0.000 0.858 178 V N 0.852 120.857 119.914 0.152 0.000 2.843 178 V HA 0.119 4.258 4.120 0.032 0.000 0.305 178 V C 1.221 177.511 176.094 0.328 0.000 1.065 178 V CA 0.178 62.636 62.300 0.264 0.000 1.116 178 V CB 0.575 32.580 31.823 0.304 0.000 0.968 178 V HN 0.596 nan 8.190 nan 0.000 0.487 179 E N 2.418 122.761 120.200 0.239 0.000 2.162 179 E HA 0.260 4.630 4.350 0.032 0.000 0.193 179 E C 1.229 177.972 176.600 0.237 0.000 0.953 179 E CA 0.518 57.057 56.400 0.232 0.000 0.849 179 E CB 0.266 30.066 29.700 0.167 0.000 0.810 179 E HN 1.036 nan 8.360 nan 0.000 0.470 180 A N 0.719 123.643 122.820 0.172 0.000 2.548 180 A HA 0.079 4.418 4.320 0.032 0.000 0.247 180 A C 0.668 178.392 177.584 0.232 0.000 1.067 180 A CA 0.821 52.943 52.037 0.141 0.000 0.757 180 A CB -0.134 18.836 19.000 -0.051 0.000 0.996 180 A HN 0.361 nan 8.150 nan 0.000 0.504 181 S N 0.264 115.969 115.700 0.008 0.000 2.929 181 S HA -0.214 4.275 4.470 0.032 0.000 0.271 181 S C 0.493 174.721 174.600 -0.620 0.000 1.295 181 S CA 2.064 60.093 58.200 -0.286 0.000 1.277 181 S CB -1.906 61.056 63.200 -0.395 0.000 1.557 181 S HN 0.826 nan 8.310 nan 0.000 0.666 182 F N 0.505 120.383 119.950 -0.120 0.000 2.640 182 F HA 0.332 4.877 4.527 0.030 0.000 0.285 182 F C 1.239 176.966 175.800 -0.122 0.000 1.031 182 F CA -0.090 57.780 58.000 -0.216 0.000 1.240 182 F CB 0.047 38.744 39.000 -0.504 0.000 1.011 182 F HN 0.177 nan 8.300 nan 0.000 0.656 183 Q N 0.658 120.525 119.800 0.112 0.000 2.337 183 Q HA 0.365 4.724 4.340 0.032 0.000 0.270 183 Q C 1.077 177.087 176.000 0.016 0.000 1.002 183 Q CA 1.004 56.854 55.803 0.078 0.000 0.888 183 Q CB 0.712 29.506 28.738 0.094 0.000 1.222 183 Q HN 0.593 nan 8.270 nan 0.000 0.400 184 G N 2.356 111.161 108.800 0.010 0.000 2.176 184 G HA2 -0.288 3.692 3.960 0.032 0.000 0.253 184 G HA3 -0.288 3.692 3.960 0.032 0.000 0.253 184 G C 0.128 174.994 174.900 -0.058 0.000 0.979 184 G CA 0.445 45.533 45.100 -0.020 0.000 0.641 184 G HN 0.867 nan 8.290 nan 0.000 0.530 185 T N -1.417 113.092 114.554 -0.074 0.000 2.912 185 T HA 0.698 5.067 4.350 0.032 0.000 0.280 185 T C -2.406 172.225 174.700 -0.115 0.000 0.989 185 T CA -1.685 60.332 62.100 -0.138 0.000 0.995 185 T CB 2.441 71.187 68.868 -0.204 0.000 1.077 185 T HN 0.016 nan 8.240 nan 0.000 0.531 186 P HA 0.114 nan 4.420 nan 0.000 0.269 186 P C 1.223 178.477 177.300 -0.077 0.000 1.215 186 P CA -0.366 62.664 63.100 -0.116 0.000 0.780 186 P CB 0.456 32.062 31.700 -0.158 0.000 0.898 187 E N 2.490 122.673 120.200 -0.028 0.000 2.284 187 E HA -0.309 4.060 4.350 0.032 0.000 0.200 187 E C 1.364 177.986 176.600 0.037 0.000 1.008 187 E CA 1.431 57.837 56.400 0.010 0.000 0.829 187 E CB -0.604 29.105 29.700 0.016 0.000 0.744 187 E HN 0.619 nan 8.360 nan 0.000 0.491 188 E N 1.035 121.248 120.200 0.022 0.000 2.153 188 E HA -0.141 4.228 4.350 0.032 0.000 0.194 188 E C 1.985 178.697 176.600 0.188 0.000 0.988 188 E CA 1.362 57.821 56.400 0.098 0.000 0.811 188 E CB 0.232 29.978 29.700 0.077 0.000 0.746 188 E HN 0.221 nan 8.360 nan 0.000 0.466 189 V N 1.097 121.033 119.914 0.036 0.000 2.649 189 V HA -0.058 4.082 4.120 0.032 0.000 0.248 189 V C 1.212 177.483 176.094 0.295 0.000 1.054 189 V CA 1.314 63.683 62.300 0.115 0.000 1.073 189 V CB -0.540 31.138 31.823 -0.242 0.000 0.699 189 V HN 0.249 nan 8.190 nan 0.000 0.463 190 R N -0.078 120.544 120.500 0.203 0.000 2.892 190 R HA 0.667 5.027 4.340 0.032 0.000 0.265 190 R C -0.913 175.512 176.300 0.208 0.000 1.025 190 R CA -1.033 55.204 56.100 0.228 0.000 0.982 190 R CB 1.537 31.937 30.300 0.167 0.000 1.185 190 R HN 0.040 nan 8.270 nan 0.000 0.484 191 L N 2.299 123.690 121.223 0.280 0.000 2.453 191 L HA 0.231 4.590 4.340 0.032 0.000 0.272 191 L C -0.768 176.131 176.870 0.049 0.000 1.182 191 L CA 0.898 55.786 54.840 0.080 0.000 0.858 191 L CB 0.327 42.349 42.059 -0.061 0.000 1.120 191 L HN 0.905 nan 8.230 nan 0.000 0.474 192 D N 2.842 123.243 120.400 0.003 0.000 2.639 192 D HA 0.271 4.930 4.640 0.032 0.000 0.271 192 D C -2.741 173.513 176.300 -0.077 0.000 1.254 192 D CA -1.356 52.628 54.000 -0.026 0.000 0.810 192 D CB 1.315 42.117 40.800 0.004 0.000 1.351 192 D HN 0.201 nan 8.370 nan 0.000 0.427 193 P HA -0.120 nan 4.420 nan 0.000 0.218 193 P C 1.455 178.737 177.300 -0.030 0.000 1.146 193 P CA 2.288 65.212 63.100 -0.293 0.000 0.813 193 P CB -0.138 31.244 31.700 -0.531 0.000 0.778 194 T N -4.776 109.784 114.554 0.010 0.000 3.113 194 T HA -0.075 4.294 4.350 0.032 0.000 0.263 194 T C 1.234 175.969 174.700 0.058 0.000 1.143 194 T CA 0.798 62.933 62.100 0.058 0.000 1.090 194 T CB -0.753 68.141 68.868 0.044 0.000 0.922 194 T HN 0.039 nan 8.240 nan 0.000 0.521 195 D N 1.830 122.255 120.400 0.041 0.000 2.317 195 D HA 0.360 5.019 4.640 0.032 0.000 0.211 195 D C 0.832 177.157 176.300 0.043 0.000 0.966 195 D CA 0.704 54.724 54.000 0.034 0.000 0.876 195 D CB 0.256 41.064 40.800 0.013 0.000 0.927 195 D HN 0.689 nan 8.370 nan 0.000 0.519 196 A N -0.172 122.695 122.820 0.078 0.000 2.586 196 A HA 0.311 4.650 4.320 0.032 0.000 0.290 196 A C -0.247 177.426 177.584 0.148 0.000 1.086 196 A CA -0.604 51.487 52.037 0.090 0.000 0.665 196 A CB 0.798 19.837 19.000 0.064 0.000 1.279 196 A HN -0.263 nan 8.150 nan 0.000 0.423 197 D N -0.452 120.019 120.400 0.118 0.000 2.218 197 D HA 0.039 4.698 4.640 0.032 0.000 0.204 197 D C -0.196 176.168 176.300 0.106 0.000 0.976 197 D CA 2.258 56.314 54.000 0.093 0.000 0.853 197 D CB 0.032 40.870 40.800 0.062 0.000 0.939 197 D HN 0.306 nan 8.370 nan 0.000 0.481 198 F N 0.492 120.462 119.950 0.035 0.000 2.617 198 F HA 0.375 4.922 4.527 0.032 0.000 0.325 198 F C -1.520 174.411 175.800 0.218 0.000 1.179 198 F CA -1.095 56.956 58.000 0.085 0.000 0.965 198 F CB 1.434 40.445 39.000 0.018 0.000 1.232 198 F HN -0.421 nan 8.300 nan 0.000 0.461 199 V N 6.545 126.346 119.914 -0.187 0.000 2.407 199 V HA 0.364 4.503 4.120 0.032 0.000 0.291 199 V C -1.128 174.609 176.094 -0.595 0.000 1.018 199 V CA -0.621 61.470 62.300 -0.348 0.000 0.842 199 V CB 1.607 33.331 31.823 -0.165 0.000 0.996 199 V HN 0.687 nan 8.190 nan 0.000 0.426 200 D N 4.904 124.936 120.400 -0.614 0.000 2.362 200 D HA 0.586 5.245 4.640 0.032 0.000 0.247 200 D C -0.872 175.362 176.300 -0.110 0.000 1.050 200 D CA -0.536 53.282 54.000 -0.303 0.000 0.839 200 D CB 2.533 43.251 40.800 -0.138 0.000 1.283 200 D HN 0.203 nan 8.370 nan 0.000 0.477 201 V N 2.179 122.085 119.914 -0.014 0.000 2.531 201 V HA 0.368 4.507 4.120 0.032 0.000 0.301 201 V C 0.066 176.127 176.094 -0.054 0.000 1.034 201 V CA -0.818 61.414 62.300 -0.113 0.000 0.865 201 V CB 1.773 33.452 31.823 -0.240 0.000 0.995 201 V HN 0.536 nan 8.190 nan 0.000 0.424 202 I N 4.644 125.130 120.570 -0.139 0.000 2.339 202 I HA 0.432 4.622 4.170 0.032 0.000 0.290 202 I C -0.246 175.739 176.117 -0.220 0.000 0.994 202 I CA -0.389 60.855 61.300 -0.093 0.000 1.191 202 I CB 0.832 38.799 38.000 -0.056 0.000 1.343 202 I HN 0.592 nan 8.210 nan 0.000 0.458 203 H N 4.856 123.775 119.070 -0.253 0.000 2.476 203 H HA 0.296 4.870 4.556 0.030 0.000 0.328 203 H C 0.245 175.542 175.328 -0.053 0.000 1.073 203 H CA -0.289 55.653 56.048 -0.177 0.000 1.229 203 H CB 1.803 31.378 29.762 -0.313 0.000 1.432 203 H HN 0.670 nan 8.280 nan 0.000 0.477 204 T N -1.593 113.024 114.554 0.104 0.000 3.009 204 T HA -0.021 4.349 4.350 0.032 0.000 0.267 204 T C 0.507 175.254 174.700 0.079 0.000 0.942 204 T CA -0.168 61.972 62.100 0.067 0.000 0.883 204 T CB 0.379 69.211 68.868 -0.060 0.000 1.192 204 T HN 0.386 nan 8.240 nan 0.000 0.524 205 D N 0.904 121.388 120.400 0.140 0.000 2.908 205 D HA 0.530 5.189 4.640 0.032 0.000 0.361 205 D C 1.073 177.477 176.300 0.174 0.000 1.416 205 D CA -0.142 53.942 54.000 0.140 0.000 0.796 205 D CB 0.400 41.307 40.800 0.180 0.000 1.185 205 D HN 0.328 nan 8.370 nan 0.000 0.451 206 A N -0.045 122.882 122.820 0.179 0.000 2.252 206 A HA 0.526 4.865 4.320 0.032 0.000 0.207 206 A C 1.249 178.920 177.584 0.145 0.000 1.194 206 A CA 0.299 52.453 52.037 0.196 0.000 0.809 206 A CB -0.295 18.855 19.000 0.250 0.000 0.814 206 A HN 0.380 nan 8.150 nan 0.000 0.482 207 A N 0.803 123.683 122.820 0.099 0.000 2.407 207 A HA 0.522 4.861 4.320 0.032 0.000 0.248 207 A C -2.340 175.368 177.584 0.206 0.000 1.082 207 A CA -1.238 50.828 52.037 0.048 0.000 0.785 207 A CB -0.324 18.604 19.000 -0.121 0.000 1.020 207 A HN 0.234 nan 8.150 nan 0.000 0.489 208 P HA -0.051 nan 4.420 nan 0.000 0.263 208 P C 0.965 178.454 177.300 0.315 0.000 1.175 208 P CA -0.033 63.252 63.100 0.308 0.000 0.761 208 P CB 0.381 32.292 31.700 0.351 0.000 0.794 209 L N 5.120 126.461 121.223 0.196 0.000 2.042 209 L HA -0.044 4.315 4.340 0.032 0.000 0.210 209 L C 0.637 177.575 176.870 0.113 0.000 1.076 209 L CA 1.917 56.855 54.840 0.163 0.000 0.749 209 L CB -0.288 41.820 42.059 0.082 0.000 0.893 209 L HN 0.283 nan 8.230 nan 0.000 0.432 210 I N 0.971 121.576 120.570 0.058 0.000 2.362 210 I HA 0.288 4.477 4.170 0.032 0.000 0.289 210 I C -1.723 174.306 176.117 -0.146 0.000 0.994 210 I CA -1.252 60.025 61.300 -0.038 0.000 1.158 210 I CB 1.609 39.592 38.000 -0.028 0.000 1.315 210 I HN 0.024 nan 8.210 nan 0.000 0.451 211 P HA 0.193 nan 4.420 nan 0.000 0.274 211 P C 0.617 177.703 177.300 -0.357 0.000 1.352 211 P CA 0.079 62.953 63.100 -0.377 0.000 0.947 211 P CB 0.154 31.608 31.700 -0.410 0.000 1.437 212 F N -0.192 119.791 119.950 0.056 0.000 2.811 212 F HA 0.247 4.765 4.527 -0.014 0.000 0.301 212 F C 1.631 177.474 175.800 0.072 0.000 1.151 212 F CA -0.032 58.001 58.000 0.054 0.000 1.412 212 F CB -0.640 38.392 39.000 0.053 0.000 1.113 212 F HN -0.265 nan 8.300 nan 0.000 0.579 213 L N 0.545 121.903 121.223 0.226 0.000 3.717 213 L HA -0.205 4.154 4.340 0.032 0.000 0.414 213 L C 0.828 177.889 176.870 0.318 0.000 1.228 213 L CA 0.115 55.109 54.840 0.257 0.000 0.918 213 L CB -1.343 40.852 42.059 0.227 0.000 1.865 213 L HN 0.365 nan 8.230 nan 0.000 0.922 214 G N -0.904 108.081 108.800 0.308 0.000 2.349 214 G HA2 0.327 4.306 3.960 0.032 0.000 0.281 214 G HA3 0.327 4.306 3.960 0.032 0.000 0.281 214 G C 0.268 175.390 174.900 0.369 0.000 1.182 214 G CA -0.475 44.792 45.100 0.278 0.000 0.899 214 G HN 0.163 nan 8.290 nan 0.000 0.455 215 F N 2.321 122.276 119.950 0.008 0.000 2.512 215 F HA 0.180 4.731 4.527 0.041 0.000 0.296 215 F C 2.033 177.815 175.800 -0.029 0.000 1.110 215 F CA -0.027 57.886 58.000 -0.145 0.000 1.446 215 F CB -0.321 38.336 39.000 -0.571 0.000 1.092 215 F HN 0.474 nan 8.300 nan 0.000 0.554 216 G N -0.946 108.004 108.800 0.250 0.000 2.563 216 G HA2 0.360 4.339 3.960 0.032 0.000 0.283 216 G HA3 0.360 4.339 3.960 0.032 0.000 0.283 216 G C -0.584 174.451 174.900 0.226 0.000 1.309 216 G CA -0.129 45.117 45.100 0.244 0.000 1.022 216 G HN 0.067 nan 8.290 nan 0.000 0.501 217 T N -2.223 112.483 114.554 0.254 0.000 2.885 217 T HA 0.432 4.801 4.350 0.032 0.000 0.285 217 T C 1.194 176.125 174.700 0.385 0.000 1.019 217 T CA 0.180 62.448 62.100 0.279 0.000 1.010 217 T CB 1.702 70.722 68.868 0.252 0.000 1.022 217 T HN 0.454 nan 8.240 nan 0.000 0.466 218 S N 2.154 118.016 115.700 0.269 0.000 2.456 218 S HA 0.113 4.602 4.470 0.032 0.000 0.224 218 S C 0.866 175.583 174.600 0.194 0.000 1.035 218 S CA 0.193 58.524 58.200 0.218 0.000 0.940 218 S CB -0.284 62.996 63.200 0.133 0.000 0.799 218 S HN 0.781 nan 8.310 nan 0.000 0.508 219 Q N 1.753 121.678 119.800 0.208 0.000 2.286 219 Q HA 0.010 4.370 4.340 0.032 0.000 0.290 219 Q C -0.691 175.464 176.000 0.258 0.000 1.049 219 Q CA 0.234 56.148 55.803 0.186 0.000 0.923 219 Q CB 0.352 29.185 28.738 0.159 0.000 1.183 219 Q HN 0.477 nan 8.270 nan 0.000 0.383 220 Q N 3.700 123.617 119.800 0.195 0.000 2.289 220 Q HA 0.022 4.382 4.340 0.032 0.000 0.273 220 Q C 0.161 176.250 176.000 0.148 0.000 1.029 220 Q CA 0.639 56.567 55.803 0.209 0.000 0.896 220 Q CB 0.691 29.516 28.738 0.146 0.000 1.182 220 Q HN 0.707 nan 8.270 nan 0.000 0.385 221 M N 0.854 120.533 119.600 0.132 0.000 2.300 221 M HA 0.270 4.769 4.480 0.032 0.000 0.313 221 M C 0.521 176.785 176.300 -0.060 0.000 0.988 221 M CA -0.177 55.144 55.300 0.035 0.000 1.012 221 M CB 1.276 33.890 32.600 0.023 0.000 1.586 221 M HN 0.667 nan 8.290 nan 0.000 0.562 222 G N -1.422 107.331 108.800 -0.077 0.000 3.086 222 G HA2 0.368 4.347 3.960 0.032 0.000 0.282 222 G HA3 0.368 4.347 3.960 0.032 0.000 0.282 222 G C -0.585 174.187 174.900 -0.213 0.000 1.343 222 G CA -0.401 44.583 45.100 -0.194 0.000 0.895 222 G HN 0.212 nan 8.290 nan 0.000 0.557 223 H N -1.313 117.746 119.070 -0.019 0.000 2.470 223 H HA 0.323 4.899 4.556 0.032 0.000 0.289 223 H C 0.312 175.711 175.328 0.118 0.000 1.033 223 H CA 0.827 56.928 56.048 0.089 0.000 1.331 223 H CB 0.156 30.030 29.762 0.187 0.000 1.414 223 H HN -0.093 nan 8.280 nan 0.000 0.545 224 L N 0.867 122.155 121.223 0.108 0.000 2.476 224 L HA 0.315 4.674 4.340 0.032 0.000 0.269 224 L C -1.392 175.360 176.870 -0.196 0.000 0.965 224 L CA -0.635 54.175 54.840 -0.051 0.000 0.845 224 L CB 2.444 44.529 42.059 0.045 0.000 1.259 224 L HN 0.065 nan 8.230 nan 0.000 0.403 225 D N 2.618 122.839 120.400 -0.298 0.000 2.502 225 D HA 0.601 5.260 4.640 0.032 0.000 0.249 225 D C -1.227 174.745 176.300 -0.546 0.000 1.092 225 D CA -0.042 53.813 54.000 -0.241 0.000 0.839 225 D CB 1.883 42.696 40.800 0.022 0.000 1.264 225 D HN 0.066 nan 8.370 nan 0.000 0.511 226 F N 1.697 121.464 119.950 -0.304 0.000 2.495 226 F HA 0.521 5.066 4.527 0.030 0.000 0.327 226 F C -0.335 175.096 175.800 -0.616 0.000 1.103 226 F CA -0.934 56.886 58.000 -0.299 0.000 0.949 226 F CB 1.054 39.943 39.000 -0.185 0.000 1.142 226 F HN 0.257 nan 8.300 nan 0.000 0.457 227 F N 3.762 123.608 119.950 -0.173 0.000 2.531 227 F HA 0.322 4.866 4.527 0.028 0.000 0.333 227 F C -2.415 173.311 175.800 -0.123 0.000 1.292 227 F CA -2.667 55.204 58.000 -0.216 0.000 1.184 227 F CB 0.386 39.072 39.000 -0.524 0.000 1.426 227 F HN 0.125 nan 8.300 nan 0.000 0.559 228 P HA 0.002 nan 4.420 nan 0.000 0.267 228 P C -0.035 177.270 177.300 0.008 0.000 1.205 228 P CA 0.385 63.509 63.100 0.040 0.000 0.765 228 P CB 0.687 32.372 31.700 -0.025 0.000 0.828 229 N N 2.362 121.038 118.700 -0.040 0.000 2.741 229 N HA -0.229 4.530 4.740 0.032 0.000 0.250 229 N C 1.065 176.161 175.510 -0.691 0.000 1.115 229 N CA 1.651 54.602 53.050 -0.166 0.000 0.724 229 N CB -1.966 36.544 38.487 0.037 0.000 1.090 229 N HN 0.867 nan 8.380 nan 0.000 0.558 230 G N -1.510 106.777 108.800 -0.856 0.000 2.241 230 G HA2 -0.112 3.867 3.960 0.032 0.000 0.244 230 G HA3 -0.112 3.867 3.960 0.032 0.000 0.244 230 G C 1.044 175.958 174.900 0.023 0.000 0.998 230 G CA 1.039 45.750 45.100 -0.648 0.000 0.621 230 G HN 1.588 nan 8.290 nan 0.000 0.519 231 G N -0.546 108.291 108.800 0.061 0.000 2.176 231 G HA2 -0.251 3.728 3.960 0.032 0.000 0.253 231 G HA3 -0.251 3.728 3.960 0.032 0.000 0.253 231 G C 0.772 175.754 174.900 0.137 0.000 0.979 231 G CA 1.465 46.679 45.100 0.190 0.000 0.641 231 G HN 0.957 nan 8.290 nan 0.000 0.530 232 E N -0.089 120.149 120.200 0.063 0.000 2.306 232 E HA 0.189 4.558 4.350 0.032 0.000 0.201 232 E C 0.397 177.002 176.600 0.009 0.000 0.874 232 E CA 0.437 56.857 56.400 0.034 0.000 0.972 232 E CB 0.482 30.172 29.700 -0.017 0.000 0.957 232 E HN 0.651 nan 8.360 nan 0.000 0.492 233 E N 1.275 121.479 120.200 0.007 0.000 2.246 233 E HA 0.348 4.717 4.350 0.032 0.000 0.266 233 E C -0.827 175.794 176.600 0.035 0.000 0.880 233 E CA -0.456 55.949 56.400 0.009 0.000 0.762 233 E CB 1.846 31.551 29.700 0.008 0.000 1.180 233 E HN -0.084 nan 8.360 nan 0.000 0.416 234 M N 3.351 122.970 119.600 0.031 0.000 2.264 234 M HA 0.349 4.848 4.480 0.032 0.000 0.352 234 M C -2.374 173.979 176.300 0.089 0.000 1.173 234 M CA -3.079 52.266 55.300 0.076 0.000 1.075 234 M CB 0.506 33.135 32.600 0.047 0.000 1.621 234 M HN 0.261 nan 8.290 nan 0.000 0.457 235 P HA 0.162 nan 4.420 nan 0.000 0.268 235 P C 0.747 178.132 177.300 0.142 0.000 1.204 235 P CA 0.621 63.804 63.100 0.137 0.000 0.768 235 P CB 0.601 32.403 31.700 0.170 0.000 0.842 236 G N 1.421 110.281 108.800 0.100 0.000 2.176 236 G HA2 -0.205 3.774 3.960 0.032 0.000 0.253 236 G HA3 -0.205 3.774 3.960 0.032 0.000 0.253 236 G C -0.023 174.904 174.900 0.045 0.000 0.979 236 G CA -0.161 44.992 45.100 0.089 0.000 0.641 236 G HN 0.693 nan 8.290 nan 0.000 0.530 237 c N 1.497 120.108 118.600 0.018 0.000 2.351 237 c HA 0.658 5.247 4.570 0.032 0.000 0.326 237 c C 0.836 174.900 174.090 -0.043 0.000 1.272 237 c CA -0.982 55.326 56.329 -0.034 0.000 1.650 237 c CB 1.187 43.656 42.510 -0.067 0.000 2.257 237 c HN 0.463 nan 8.230 nan 0.000 0.505 238 K N 2.136 122.496 120.400 -0.068 0.000 2.138 238 K HA 0.385 4.724 4.320 0.032 0.000 0.251 238 K C -0.005 176.535 176.600 -0.100 0.000 1.015 238 K CA -0.219 56.027 56.287 -0.068 0.000 0.917 238 K CB 0.730 33.186 32.500 -0.073 0.000 1.021 238 K HN 0.575 nan 8.250 nan 0.000 0.485 239 K N 1.076 121.428 120.400 -0.079 0.000 2.280 239 K HA 0.296 4.635 4.320 0.032 0.000 0.234 239 K C -0.359 176.182 176.600 -0.099 0.000 1.028 239 K CA -0.986 55.250 56.287 -0.085 0.000 0.882 239 K CB 0.962 33.449 32.500 -0.021 0.000 1.194 239 K HN 0.474 nan 8.250 nan 0.000 0.458 240 N N 0.490 119.134 118.700 -0.092 0.000 2.524 240 N HA 0.184 4.943 4.740 0.032 0.000 0.283 240 N C -0.694 174.818 175.510 0.002 0.000 1.142 240 N CA -0.224 52.782 53.050 -0.073 0.000 0.984 240 N CB 1.549 39.999 38.487 -0.061 0.000 1.155 240 N HN 0.588 nan 8.380 nan 0.000 0.467 241 A N 2.432 125.253 122.820 0.002 0.000 2.488 241 A HA 0.231 4.570 4.320 0.032 0.000 0.249 241 A C 0.807 178.404 177.584 0.022 0.000 1.083 241 A CA -0.320 51.726 52.037 0.015 0.000 0.768 241 A CB -0.130 18.875 19.000 0.008 0.000 1.017 241 A HN 0.622 nan 8.150 nan 0.000 0.496 242 L N 1.614 122.846 121.223 0.016 0.000 2.483 242 L HA 0.412 4.771 4.340 0.032 0.000 0.277 242 L C 0.836 177.683 176.870 -0.037 0.000 1.248 242 L CA 0.189 55.010 54.840 -0.032 0.000 0.825 242 L CB 0.168 42.179 42.059 -0.079 0.000 1.096 242 L HN 0.744 nan 8.230 nan 0.000 0.512 243 S N -1.152 114.507 115.700 -0.068 0.000 2.604 243 S HA 0.126 4.616 4.470 0.032 0.000 0.296 243 S C -0.115 174.449 174.600 -0.058 0.000 1.097 243 S CA -0.682 57.492 58.200 -0.044 0.000 0.883 243 S CB 1.475 64.670 63.200 -0.007 0.000 1.081 243 S HN 0.636 nan 8.310 nan 0.000 0.448 244 Q N 2.019 121.790 119.800 -0.049 0.000 2.435 244 Q HA 0.239 4.598 4.340 0.032 0.000 0.207 244 Q C 0.501 176.487 176.000 -0.023 0.000 0.956 244 Q CA 0.696 56.471 55.803 -0.046 0.000 0.917 244 Q CB 0.172 28.887 28.738 -0.038 0.000 0.997 244 Q HN 0.689 nan 8.270 nan 0.000 0.497 245 I N 0.497 121.061 120.570 -0.010 0.000 2.439 245 I HA 0.251 4.440 4.170 0.032 0.000 0.283 245 I C -1.047 175.080 176.117 0.017 0.000 1.023 245 I CA -0.880 60.422 61.300 0.004 0.000 1.100 245 I CB 1.438 39.443 38.000 0.007 0.000 1.238 245 I HN -0.240 nan 8.210 nan 0.000 0.445 246 V N 5.799 125.726 119.914 0.022 0.000 2.513 246 V HA 0.537 4.676 4.120 0.032 0.000 0.299 246 V C -0.738 175.381 176.094 0.043 0.000 1.035 246 V CA -0.274 62.051 62.300 0.042 0.000 0.889 246 V CB 1.773 33.629 31.823 0.055 0.000 0.988 246 V HN 0.769 nan 8.190 nan 0.000 0.440 247 D N 4.700 125.136 120.400 0.061 0.000 2.524 247 D HA 0.297 4.957 4.640 0.032 0.000 0.222 247 D C 0.999 177.356 176.300 0.094 0.000 1.142 247 D CA 0.008 54.050 54.000 0.070 0.000 0.973 247 D CB 0.590 41.434 40.800 0.074 0.000 1.025 247 D HN 0.656 nan 8.370 nan 0.000 0.519 248 L N 1.733 123.001 121.223 0.075 0.000 2.017 248 L HA -0.171 4.188 4.340 0.032 0.000 0.208 248 L C 1.516 178.549 176.870 0.272 0.000 1.073 248 L CA 1.055 55.958 54.840 0.104 0.000 0.745 248 L CB -0.053 41.948 42.059 -0.097 0.000 0.894 248 L HN 0.309 nan 8.230 nan 0.000 0.432 249 D N -0.066 120.459 120.400 0.208 0.000 2.116 249 D HA -0.178 4.482 4.640 0.032 0.000 0.193 249 D C 2.039 178.475 176.300 0.227 0.000 0.998 249 D CA 1.611 55.748 54.000 0.228 0.000 0.836 249 D CB -0.567 40.321 40.800 0.146 0.000 0.951 249 D HN 0.385 nan 8.370 nan 0.000 0.449 250 G N 0.701 109.600 108.800 0.166 0.000 2.440 250 G HA2 -0.218 3.761 3.960 0.032 0.000 0.218 250 G HA3 -0.218 3.761 3.960 0.032 0.000 0.218 250 G C 1.829 176.824 174.900 0.158 0.000 1.154 250 G CA 0.460 45.644 45.100 0.140 0.000 0.767 250 G HN 0.277 nan 8.290 nan 0.000 0.552 251 I N -1.057 119.615 120.570 0.170 0.000 2.226 251 I HA -0.135 4.054 4.170 0.032 0.000 0.245 251 I C 2.519 178.726 176.117 0.150 0.000 1.100 251 I CA 0.930 62.306 61.300 0.127 0.000 1.374 251 I CB -0.203 37.794 38.000 -0.005 0.000 1.057 251 I HN 0.236 nan 8.210 nan 0.000 0.413 252 W N 1.475 122.917 121.300 0.237 0.000 2.436 252 W HA -0.116 4.565 4.660 0.035 0.000 0.284 252 W C 2.435 179.026 176.519 0.119 0.000 1.225 252 W CA 0.852 58.341 57.345 0.240 0.000 1.271 252 W CB -0.157 29.461 29.460 0.263 0.000 1.114 252 W HN 0.229 nan 8.180 nan 0.000 0.559 253 E N -0.276 120.091 120.200 0.279 0.000 2.502 253 E HA 0.165 4.534 4.350 0.032 0.000 0.194 253 E C 1.543 178.199 176.600 0.093 0.000 1.062 253 E CA 0.764 57.261 56.400 0.161 0.000 0.867 253 E CB -0.287 29.495 29.700 0.136 0.000 0.888 253 E HN 0.170 nan 8.360 nan 0.000 0.510 254 G N 1.566 110.420 108.800 0.090 0.000 2.147 254 G HA2 -0.330 3.650 3.960 0.032 0.000 0.244 254 G HA3 -0.330 3.650 3.960 0.032 0.000 0.244 254 G C 0.822 175.760 174.900 0.062 0.000 1.005 254 G CA 0.768 45.899 45.100 0.051 0.000 0.713 254 G HN 0.460 nan 8.290 nan 0.000 0.515 255 T N -3.190 111.411 114.554 0.079 0.000 3.015 255 T HA 0.408 4.777 4.350 0.032 0.000 0.250 255 T C 1.067 175.811 174.700 0.073 0.000 1.057 255 T CA 0.174 62.314 62.100 0.067 0.000 1.066 255 T CB 0.737 69.643 68.868 0.064 0.000 0.959 255 T HN 0.255 nan 8.240 nan 0.000 0.488 256 R N 2.270 122.826 120.500 0.093 0.000 2.540 256 R HA 0.489 4.848 4.340 0.032 0.000 0.287 256 R C -0.845 175.525 176.300 0.115 0.000 0.980 256 R CA -0.955 55.202 56.100 0.094 0.000 0.966 256 R CB 0.663 31.021 30.300 0.098 0.000 1.106 256 R HN 0.264 nan 8.270 nan 0.000 0.480 257 D N 1.451 121.910 120.400 0.098 0.000 2.399 257 D HA 0.151 4.811 4.640 0.032 0.000 0.241 257 D C -0.532 175.865 176.300 0.162 0.000 1.133 257 D CA 0.709 54.768 54.000 0.099 0.000 0.890 257 D CB 0.396 41.227 40.800 0.052 0.000 1.201 257 D HN 0.183 nan 8.370 nan 0.000 0.432 258 F N 1.223 121.126 119.950 -0.078 0.000 2.622 258 F HA 0.210 4.764 4.527 0.044 0.000 0.318 258 F C -1.419 174.248 175.800 -0.221 0.000 1.135 258 F CA -0.881 56.997 58.000 -0.203 0.000 1.015 258 F CB 1.093 39.889 39.000 -0.340 0.000 1.275 258 F HN 0.023 nan 8.300 nan 0.000 0.457 259 V N 7.131 126.431 119.914 -1.023 0.000 2.322 259 V HA 0.370 4.509 4.120 0.032 0.000 0.258 259 V C 0.953 176.280 176.094 -1.278 0.000 1.074 259 V CA 0.478 62.287 62.300 -0.818 0.000 0.909 259 V CB 0.290 31.819 31.823 -0.490 0.000 1.090 259 V HN 0.950 nan 8.190 nan 0.000 0.486 260 A N 2.721 124.982 122.820 -0.932 0.000 2.206 260 A HA -0.081 4.258 4.320 0.032 0.000 0.211 260 A C 2.052 179.428 177.584 -0.346 0.000 1.158 260 A CA 1.021 52.662 52.037 -0.659 0.000 0.761 260 A CB -0.521 18.361 19.000 -0.195 0.000 0.801 260 A HN 0.848 nan 8.150 nan 0.000 0.473 261 c N 0.271 118.673 118.600 -0.329 0.000 2.349 261 c HA -0.238 4.351 4.570 0.032 0.000 0.274 261 c C 2.619 176.555 174.090 -0.256 0.000 1.178 261 c CA 1.936 58.113 56.329 -0.253 0.000 1.769 261 c CB -1.310 41.081 42.510 -0.199 0.000 2.047 261 c HN 0.695 nan 8.230 nan 0.000 0.448 262 N N -0.495 118.074 118.700 -0.218 0.000 2.069 262 N HA -0.156 4.603 4.740 0.032 0.000 0.191 262 N C 1.557 177.008 175.510 -0.098 0.000 1.031 262 N CA 1.938 54.897 53.050 -0.151 0.000 0.852 262 N CB -0.978 37.453 38.487 -0.094 0.000 1.018 262 N HN 0.750 nan 8.380 nan 0.000 0.423 263 H N 1.042 120.015 119.070 -0.161 0.000 2.352 263 H HA 0.062 4.637 4.556 0.031 0.000 0.299 263 H C 1.899 177.202 175.328 -0.041 0.000 1.097 263 H CA 1.311 57.344 56.048 -0.024 0.000 1.311 263 H CB -0.281 29.509 29.762 0.046 0.000 1.377 263 H HN 0.143 nan 8.280 nan 0.000 0.504 264 L N -0.651 120.399 121.223 -0.290 0.000 2.395 264 L HA -0.007 4.353 4.340 0.032 0.000 0.218 264 L C 2.458 178.612 176.870 -1.194 0.000 1.130 264 L CA 0.266 54.582 54.840 -0.872 0.000 0.826 264 L CB -0.302 41.265 42.059 -0.820 0.000 0.941 264 L HN 0.100 nan 8.230 nan 0.000 0.451 265 R N 0.977 120.987 120.500 -0.818 0.000 2.117 265 R HA -0.154 4.205 4.340 0.032 0.000 0.243 265 R C 2.607 178.199 176.300 -1.179 0.000 1.143 265 R CA 1.740 57.195 56.100 -1.075 0.000 0.968 265 R CB -0.941 28.774 30.300 -0.976 0.000 0.863 265 R HN 0.566 nan 8.270 nan 0.000 0.444 266 S N 0.805 116.066 115.700 -0.731 0.000 2.380 266 S HA -0.240 4.249 4.470 0.032 0.000 0.229 266 S C 2.037 176.403 174.600 -0.389 0.000 1.043 266 S CA 1.737 59.675 58.200 -0.437 0.000 1.038 266 S CB -0.870 62.223 63.200 -0.178 0.000 0.872 266 S HN 0.595 nan 8.310 nan 0.000 0.456 267 Y N 1.297 121.242 120.300 -0.592 0.000 2.475 267 Y HA 0.440 5.012 4.550 0.037 0.000 0.289 267 Y C 1.891 177.539 175.900 -0.419 0.000 1.121 267 Y CA -0.011 57.744 58.100 -0.576 0.000 1.257 267 Y CB -0.331 37.435 38.460 -1.156 0.000 1.026 267 Y HN -0.011 nan 8.280 nan 0.000 0.555 268 K N 0.301 120.362 120.400 -0.565 0.000 2.025 268 K HA -0.116 4.224 4.320 0.032 0.000 0.207 268 K C 1.718 178.200 176.600 -0.198 0.000 1.049 268 K CA 1.409 57.486 56.287 -0.350 0.000 0.933 268 K CB -0.749 31.390 32.500 -0.602 0.000 0.714 268 K HN 0.380 nan 8.250 nan 0.000 0.438 269 Y N -0.147 119.902 120.300 -0.418 0.000 2.242 269 Y HA -0.183 4.384 4.550 0.029 0.000 0.291 269 Y C 2.409 178.046 175.900 -0.439 0.000 1.137 269 Y CA 0.242 58.063 58.100 -0.465 0.000 1.181 269 Y CB -1.161 36.959 38.460 -0.565 0.000 0.989 269 Y HN 0.120 nan 8.280 nan 0.000 0.527 270 Y N 0.088 120.264 120.300 -0.205 0.000 2.133 270 Y HA -0.231 4.338 4.550 0.031 0.000 0.287 270 Y C 2.897 178.749 175.900 -0.081 0.000 1.134 270 Y CA 1.708 59.706 58.100 -0.170 0.000 1.133 270 Y CB -0.687 37.712 38.460 -0.103 0.000 0.987 270 Y HN 0.065 nan 8.280 nan 0.000 0.502 271 S N -0.250 115.576 115.700 0.210 0.000 2.374 271 S HA -0.305 4.184 4.470 0.032 0.000 0.227 271 S C 2.118 176.770 174.600 0.088 0.000 1.037 271 S CA 1.857 60.160 58.200 0.171 0.000 1.024 271 S CB -0.563 62.748 63.200 0.184 0.000 0.861 271 S HN 0.717 nan 8.310 nan 0.000 0.456 272 E N 0.349 120.626 120.200 0.128 0.000 2.106 272 E HA -0.118 4.251 4.350 0.032 0.000 0.192 272 E C 2.083 178.793 176.600 0.183 0.000 0.984 272 E CA 1.356 57.884 56.400 0.213 0.000 0.806 272 E CB -0.294 29.665 29.700 0.432 0.000 0.750 272 E HN 0.706 nan 8.360 nan 0.000 0.458 273 S N 0.592 116.285 115.700 -0.013 0.000 2.419 273 S HA -0.191 4.298 4.470 0.032 0.000 0.235 273 S C 1.990 176.651 174.600 0.101 0.000 1.019 273 S CA 1.167 59.374 58.200 0.012 0.000 0.982 273 S CB -0.657 62.289 63.200 -0.423 0.000 0.789 273 S HN 0.365 nan 8.310 nan 0.000 0.490 274 I N 1.240 121.751 120.570 -0.098 0.000 2.208 274 I HA -0.154 4.035 4.170 0.032 0.000 0.245 274 I C 2.234 178.414 176.117 0.105 0.000 1.097 274 I CA 1.377 62.564 61.300 -0.190 0.000 1.363 274 I CB -0.384 37.401 38.000 -0.359 0.000 1.051 274 I HN 0.321 nan 8.210 nan 0.000 0.413 275 L N -0.466 120.821 121.223 0.106 0.000 2.446 275 L HA 0.007 4.367 4.340 0.032 0.000 0.219 275 L C 0.207 177.167 176.870 0.150 0.000 1.116 275 L CA 0.615 55.529 54.840 0.123 0.000 0.844 275 L CB -0.380 41.741 42.059 0.103 0.000 0.970 275 L HN 0.192 nan 8.230 nan 0.000 0.457 276 N N 0.289 119.108 118.700 0.199 0.000 2.851 276 N HA 0.159 4.918 4.740 0.032 0.000 0.248 276 N C -1.826 173.756 175.510 0.121 0.000 1.221 276 N CA -1.112 52.045 53.050 0.179 0.000 0.847 276 N CB 1.315 39.926 38.487 0.207 0.000 1.150 276 N HN -0.103 nan 8.380 nan 0.000 0.507 277 P HA -0.112 nan 4.420 nan 0.000 0.226 277 P C 0.054 177.248 177.300 -0.178 0.000 1.146 277 P CA 1.325 64.178 63.100 -0.412 0.000 0.773 277 P CB 0.503 31.744 31.700 -0.765 0.000 0.772 278 D N -1.534 118.850 120.400 -0.027 0.000 2.520 278 D HA 0.144 4.803 4.640 0.032 0.000 0.223 278 D C 1.897 177.955 176.300 -0.402 0.000 1.186 278 D CA 0.051 54.035 54.000 -0.026 0.000 0.821 278 D CB -0.434 40.494 40.800 0.213 0.000 1.072 278 D HN -0.061 nan 8.370 nan 0.000 0.518 279 G N -0.489 107.987 108.800 -0.541 0.000 2.848 279 G HA2 0.001 3.981 3.960 0.032 0.000 0.208 279 G HA3 0.001 3.981 3.960 0.032 0.000 0.208 279 G C 0.222 174.237 174.900 -1.474 0.000 1.152 279 G CA 0.208 44.456 45.100 -1.421 0.000 0.789 279 G HN 0.242 nan 8.290 nan 0.000 0.531 280 F N 0.663 120.326 119.950 -0.479 0.000 2.619 280 F HA 0.549 5.094 4.527 0.030 0.000 0.382 280 F C 0.817 176.448 175.800 -0.281 0.000 1.466 280 F CA -1.589 56.202 58.000 -0.349 0.000 1.137 280 F CB 0.295 39.111 39.000 -0.307 0.000 1.205 280 F HN 0.103 nan 8.300 nan 0.000 0.525 281 A N 0.550 123.244 122.820 -0.210 0.000 2.540 281 A HA 0.519 4.858 4.320 0.032 0.000 0.239 281 A C 0.437 177.925 177.584 -0.160 0.000 1.061 281 A CA 0.341 52.252 52.037 -0.210 0.000 0.758 281 A CB 0.138 18.985 19.000 -0.256 0.000 0.991 281 A HN 0.318 nan 8.150 nan 0.000 0.502 282 S N 0.660 116.239 115.700 -0.202 0.000 2.503 282 S HA 0.657 5.146 4.470 0.032 0.000 0.301 282 S C -1.325 173.206 174.600 -0.115 0.000 1.087 282 S CA -0.243 57.962 58.200 0.010 0.000 1.042 282 S CB 0.944 64.328 63.200 0.307 0.000 1.043 282 S HN 0.500 nan 8.310 nan 0.000 0.489 283 Y N 2.095 122.551 120.300 0.261 0.000 2.364 283 Y HA 0.430 4.999 4.550 0.031 0.000 0.340 283 Y C -2.363 173.621 175.900 0.140 0.000 0.975 283 Y CA -2.622 55.638 58.100 0.266 0.000 1.089 283 Y CB 1.123 39.797 38.460 0.356 0.000 1.192 283 Y HN 0.393 nan 8.280 nan 0.000 0.454 284 P HA 0.145 nan 4.420 nan 0.000 0.271 284 P C -0.461 176.855 177.300 0.027 0.000 1.216 284 P CA 0.132 63.015 63.100 -0.362 0.000 0.771 284 P CB 1.398 32.870 31.700 -0.379 0.000 0.864 285 c N 2.093 120.746 118.600 0.088 0.000 3.285 285 c HA 0.580 5.169 4.570 0.032 0.000 0.325 285 c C 1.798 175.957 174.090 0.116 0.000 1.304 285 c CA 0.208 56.629 56.329 0.154 0.000 1.319 285 c CB 1.021 43.670 42.510 0.231 0.000 1.640 285 c HN 0.670 nan 8.230 nan 0.000 0.477 286 A N 1.745 124.582 122.820 0.027 0.000 1.969 286 A HA 0.336 4.675 4.320 0.032 0.000 0.218 286 A C 0.820 178.376 177.584 -0.046 0.000 1.169 286 A CA 1.878 53.912 52.037 -0.004 0.000 0.635 286 A CB -0.391 18.596 19.000 -0.023 0.000 0.810 286 A HN 1.963 nan 8.150 nan 0.000 0.445 287 S N -4.726 110.848 115.700 -0.211 0.000 2.615 287 S HA 0.376 4.865 4.470 0.032 0.000 0.268 287 S C 0.098 174.150 174.600 -0.913 0.000 1.146 287 S CA 0.010 57.960 58.200 -0.417 0.000 0.818 287 S CB 0.018 63.103 63.200 -0.192 0.000 1.111 287 S HN 0.375 nan 8.310 nan 0.000 0.465 288 Y N 1.574 121.218 120.300 -1.093 0.000 2.293 288 Y HA 0.144 4.711 4.550 0.029 0.000 0.291 288 Y C 2.249 177.974 175.900 -0.292 0.000 1.137 288 Y CA 1.416 59.014 58.100 -0.838 0.000 1.202 288 Y CB -0.229 38.056 38.460 -0.293 0.000 0.990 288 Y HN 0.596 nan 8.280 nan 0.000 0.537 289 R N 0.374 120.706 120.500 -0.281 0.000 2.075 289 R HA -0.051 4.308 4.340 0.032 0.000 0.232 289 R C 2.498 178.663 176.300 -0.224 0.000 1.126 289 R CA 1.151 57.095 56.100 -0.260 0.000 0.963 289 R CB -1.519 28.692 30.300 -0.148 0.000 0.858 289 R HN 0.428 nan 8.270 nan 0.000 0.435 290 A N 0.343 123.052 122.820 -0.185 0.000 1.933 290 A HA -0.164 4.175 4.320 0.032 0.000 0.218 290 A C 2.063 179.587 177.584 -0.101 0.000 1.175 290 A CA 1.142 53.106 52.037 -0.122 0.000 0.628 290 A CB -0.660 18.289 19.000 -0.085 0.000 0.814 290 A HN 0.294 nan 8.150 nan 0.000 0.444 291 F N 1.122 120.906 119.950 -0.277 0.000 2.075 291 F HA -0.145 4.399 4.527 0.029 0.000 0.297 291 F C 2.170 177.830 175.800 -0.233 0.000 1.113 291 F CA 2.110 59.989 58.000 -0.201 0.000 1.218 291 F CB -0.168 38.743 39.000 -0.149 0.000 0.984 291 F HN 0.249 nan 8.300 nan 0.000 0.472 292 E N -0.354 119.603 120.200 -0.406 0.000 2.338 292 E HA -0.098 4.272 4.350 0.032 0.000 0.197 292 E C 1.873 178.277 176.600 -0.327 0.000 1.007 292 E CA 0.978 57.102 56.400 -0.460 0.000 0.849 292 E CB -0.310 29.082 29.700 -0.514 0.000 0.774 292 E HN 0.316 nan 8.360 nan 0.000 0.506 293 S N 1.212 116.757 115.700 -0.259 0.000 2.634 293 S HA 0.030 4.519 4.470 0.032 0.000 0.221 293 S C 0.000 174.499 174.600 -0.168 0.000 0.952 293 S CA -0.284 57.811 58.200 -0.174 0.000 0.930 293 S CB 0.027 63.151 63.200 -0.126 0.000 0.780 293 S HN 0.200 nan 8.310 nan 0.000 0.498 294 N N 1.558 120.106 118.700 -0.254 0.000 2.738 294 N HA -0.122 4.637 4.740 0.032 0.000 0.249 294 N C 0.207 175.647 175.510 -0.117 0.000 1.047 294 N CA 0.509 53.417 53.050 -0.236 0.000 0.707 294 N CB -0.768 37.601 38.487 -0.197 0.000 0.937 294 N HN 0.327 nan 8.380 nan 0.000 0.545 295 K N -1.227 119.121 120.400 -0.087 0.000 2.373 295 K HA 0.291 4.630 4.320 0.032 0.000 0.200 295 K C 0.440 177.071 176.600 0.051 0.000 1.054 295 K CA 0.207 56.486 56.287 -0.014 0.000 1.065 295 K CB 0.559 33.047 32.500 -0.021 0.000 0.886 295 K HN 0.337 nan 8.250 nan 0.000 0.546 296 c N 1.432 120.086 118.600 0.091 0.000 2.955 296 c HA 0.448 5.037 4.570 0.032 0.000 0.229 296 c C -0.708 173.548 174.090 0.275 0.000 1.842 296 c CA -0.891 55.563 56.329 0.207 0.000 1.539 296 c CB -1.324 41.371 42.510 0.309 0.000 2.869 296 c HN 0.284 nan 8.230 nan 0.000 0.503 297 F N 2.369 122.315 119.950 -0.006 0.000 2.619 297 F HA 0.736 5.283 4.527 0.033 0.000 0.308 297 F C -2.379 173.428 175.800 0.011 0.000 1.097 297 F CA -1.465 56.503 58.000 -0.054 0.000 0.953 297 F CB 1.289 40.108 39.000 -0.301 0.000 1.287 297 F HN 0.050 nan 8.300 nan 0.000 0.446 298 P HA 0.235 nan 4.420 nan 0.000 0.312 298 P C -0.495 176.760 177.300 -0.075 0.000 1.307 298 P CA -0.193 62.375 63.100 -0.886 0.000 0.738 298 P CB 0.468 31.745 31.700 -0.704 0.000 1.422 299 c N 0.118 118.733 118.600 0.025 0.000 2.689 299 c HA 0.250 4.839 4.570 0.032 0.000 0.409 299 c C -1.675 172.454 174.090 0.064 0.000 1.293 299 c CA -0.486 55.895 56.329 0.087 0.000 2.136 299 c CB -0.996 41.495 42.510 -0.031 0.000 2.719 299 c HN 0.510 nan 8.230 nan 0.000 0.644 300 P HA 0.061 nan 4.420 nan 0.000 0.271 300 P C 0.715 178.060 177.300 0.076 0.000 1.244 300 P CA 0.004 63.164 63.100 0.100 0.000 0.793 300 P CB 0.419 32.207 31.700 0.147 0.000 0.984 301 D N 0.646 121.082 120.400 0.061 0.000 2.149 301 D HA -0.209 4.451 4.640 0.032 0.000 0.194 301 D C 1.688 178.017 176.300 0.048 0.000 1.001 301 D CA 1.364 55.389 54.000 0.043 0.000 0.849 301 D CB 0.005 40.825 40.800 0.033 0.000 0.939 301 D HN 0.538 nan 8.370 nan 0.000 0.449 302 Q N 0.966 120.806 119.800 0.067 0.000 2.436 302 Q HA 0.080 4.439 4.340 0.032 0.000 0.209 302 Q C 0.917 176.982 176.000 0.109 0.000 0.965 302 Q CA 1.015 56.854 55.803 0.060 0.000 0.910 302 Q CB 0.241 28.996 28.738 0.028 0.000 0.980 302 Q HN 0.188 nan 8.270 nan 0.000 0.491 303 G N -0.344 108.537 108.800 0.135 0.000 2.479 303 G HA2 -0.120 3.859 3.960 0.032 0.000 0.686 303 G HA3 -0.120 3.859 3.960 0.032 0.000 0.686 303 G C -1.226 173.778 174.900 0.174 0.000 1.295 303 G CA -0.524 44.655 45.100 0.132 0.000 0.922 303 G HN 0.298 nan 8.290 nan 0.000 0.582 304 c N 2.471 121.083 118.600 0.021 0.000 2.358 304 c HA 0.824 5.413 4.570 0.032 0.000 0.342 304 c C -1.447 172.516 174.090 -0.212 0.000 1.234 304 c CA -0.778 55.461 56.329 -0.150 0.000 1.969 304 c CB 1.301 43.583 42.510 -0.381 0.000 2.346 304 c HN 0.727 nan 8.230 nan 0.000 0.525 305 P HA 0.196 nan 4.420 nan 0.000 0.281 305 P C -1.230 175.933 177.300 -0.228 0.000 1.249 305 P CA -0.211 62.538 63.100 -0.585 0.000 0.810 305 P CB 0.652 31.595 31.700 -1.263 0.000 1.008 306 Q N 1.441 121.161 119.800 -0.133 0.000 2.261 306 Q HA 0.304 4.664 4.340 0.032 0.000 0.252 306 Q C 0.171 175.946 176.000 -0.376 0.000 0.915 306 Q CA -0.395 55.324 55.803 -0.141 0.000 0.915 306 Q CB 1.427 30.152 28.738 -0.021 0.000 1.204 306 Q HN 0.560 nan 8.270 nan 0.000 0.421 307 M N 1.422 120.675 119.600 -0.579 0.000 2.233 307 M HA 0.395 4.895 4.480 0.032 0.000 0.350 307 M C 0.416 176.268 176.300 -0.745 0.000 1.176 307 M CA 1.081 55.629 55.300 -1.254 0.000 1.150 307 M CB 0.385 32.446 32.600 -0.899 0.000 1.530 307 M HN 0.822 nan 8.290 nan 0.000 0.459 308 G N 2.402 110.786 108.800 -0.693 0.000 2.445 308 G HA2 -0.295 3.684 3.960 0.032 0.000 0.212 308 G HA3 -0.295 3.684 3.960 0.032 0.000 0.212 308 G C 0.064 174.665 174.900 -0.498 0.000 1.217 308 G CA 0.435 45.191 45.100 -0.574 0.000 1.002 308 G HN 0.983 nan 8.290 nan 0.000 0.574 309 H N -0.289 118.191 119.070 -0.983 0.000 2.357 309 H HA -0.073 4.502 4.556 0.031 0.000 0.296 309 H C 2.127 177.143 175.328 -0.521 0.000 1.108 309 H CA 2.992 58.578 56.048 -0.769 0.000 1.273 309 H CB -0.177 29.023 29.762 -0.938 0.000 1.367 309 H HN 0.454 nan 8.280 nan 0.000 0.498 310 Y N -0.927 119.335 120.300 -0.064 0.000 2.495 310 Y HA 0.322 4.891 4.550 0.031 0.000 0.293 310 Y C 2.026 177.904 175.900 -0.036 0.000 1.186 310 Y CA 0.221 58.300 58.100 -0.034 0.000 1.266 310 Y CB -0.062 38.404 38.460 0.010 0.000 1.101 310 Y HN 0.302 nan 8.280 nan 0.000 0.517 311 A N 0.482 123.332 122.820 0.050 0.000 2.070 311 A HA -0.203 4.136 4.320 0.032 0.000 0.220 311 A C 1.890 179.539 177.584 0.109 0.000 1.159 311 A CA 1.789 53.903 52.037 0.129 0.000 0.656 311 A CB -0.457 18.670 19.000 0.212 0.000 0.800 311 A HN 0.543 nan 8.150 nan 0.000 0.453 312 D N -0.515 119.880 120.400 -0.008 0.000 2.348 312 D HA -0.094 4.565 4.640 0.032 0.000 0.216 312 D C 1.419 177.590 176.300 -0.215 0.000 0.970 312 D CA 0.941 54.728 54.000 -0.355 0.000 0.889 312 D CB -0.219 40.465 40.800 -0.194 0.000 0.912 312 D HN 0.237 nan 8.370 nan 0.000 0.524 313 K N -0.488 119.898 120.400 -0.023 0.000 2.211 313 K HA 0.085 4.424 4.320 0.032 0.000 0.203 313 K C 0.223 176.842 176.600 0.032 0.000 1.050 313 K CA -0.045 56.258 56.287 0.027 0.000 0.945 313 K CB -0.474 32.090 32.500 0.106 0.000 0.732 313 K HN 0.139 nan 8.250 nan 0.000 0.451 314 F N 0.470 120.346 119.950 -0.123 0.000 2.538 314 F HA 0.274 4.821 4.527 0.034 0.000 0.371 314 F C 0.328 176.043 175.800 -0.141 0.000 1.087 314 F CA -0.706 57.231 58.000 -0.105 0.000 1.250 314 F CB 0.356 39.315 39.000 -0.068 0.000 1.110 314 F HN 0.022 nan 8.300 nan 0.000 0.570 324 K N 0.581 120.880 120.400 -0.170 0.000 2.412 324 K HA 0.304 4.643 4.320 0.032 0.000 0.281 324 K C -1.119 175.232 176.600 -0.414 0.000 1.027 324 K CA 0.218 56.397 56.287 -0.180 0.000 0.989 324 K CB 0.244 32.604 32.500 -0.234 0.000 0.935 324 K HN 0.180 nan 8.250 nan 0.000 0.475 325 Y N 2.724 122.837 120.300 -0.312 0.000 2.352 325 Y HA 0.371 4.940 4.550 0.031 0.000 0.339 325 Y C -0.360 175.257 175.900 -0.471 0.000 0.992 325 Y CA -0.623 57.298 58.100 -0.298 0.000 1.100 325 Y CB 0.938 39.150 38.460 -0.414 0.000 1.192 325 Y HN 0.360 nan 8.280 nan 0.000 0.458 326 F N 4.071 124.042 119.950 0.034 0.000 2.579 326 F HA 0.779 5.324 4.527 0.029 0.000 0.324 326 F C -0.646 174.922 175.800 -0.386 0.000 1.058 326 F CA -1.033 56.834 58.000 -0.221 0.000 0.944 326 F CB 1.978 40.684 39.000 -0.490 0.000 1.245 326 F HN 0.187 nan 8.300 nan 0.000 0.477 327 L N -0.265 120.872 121.223 -0.144 0.000 3.020 327 L HA 0.523 4.882 4.340 0.032 0.000 0.273 327 L C -2.063 174.946 176.870 0.232 0.000 1.018 327 L CA -1.141 53.752 54.840 0.089 0.000 0.950 327 L CB 1.190 43.367 42.059 0.198 0.000 1.510 327 L HN 0.692 nan 8.230 nan 0.000 0.404 328 N N -0.635 118.260 118.700 0.326 0.000 2.292 328 N HA 0.865 5.624 4.740 0.032 0.000 0.303 328 N C -0.749 174.835 175.510 0.123 0.000 1.140 328 N CA -0.249 52.962 53.050 0.268 0.000 0.788 328 N CB 2.584 41.289 38.487 0.362 0.000 1.361 328 N HN 0.978 nan 8.380 nan 0.000 0.489 329 T N -2.255 112.344 114.554 0.075 0.000 2.888 329 T HA 0.673 5.042 4.350 0.032 0.000 0.288 329 T C 0.498 175.302 174.700 0.174 0.000 1.063 329 T CA -0.924 61.201 62.100 0.041 0.000 1.010 329 T CB 1.097 69.835 68.868 -0.215 0.000 1.214 329 T HN 0.391 nan 8.240 nan 0.000 0.533 330 G N -0.070 108.882 108.800 0.253 0.000 2.653 330 G HA2 0.379 4.358 3.960 0.032 0.000 0.265 330 G HA3 0.379 4.358 3.960 0.032 0.000 0.265 330 G C 0.349 175.476 174.900 0.378 0.000 1.237 330 G CA -0.104 45.144 45.100 0.248 0.000 0.946 330 G HN 0.890 nan 8.290 nan 0.000 0.522 331 D N -2.445 118.111 120.400 0.260 0.000 2.349 331 D HA 0.102 4.762 4.640 0.032 0.000 0.214 331 D C 0.950 177.427 176.300 0.296 0.000 1.063 331 D CA 0.462 54.632 54.000 0.284 0.000 0.847 331 D CB 0.158 41.059 40.800 0.168 0.000 0.933 331 D HN 0.429 nan 8.370 nan 0.000 0.513 332 S N -1.844 113.917 115.700 0.102 0.000 2.656 332 S HA 0.438 4.927 4.470 0.032 0.000 0.273 332 S C -0.413 173.624 174.600 -0.938 0.000 1.168 332 S CA -0.799 57.292 58.200 -0.181 0.000 0.817 332 S CB 1.293 64.440 63.200 -0.089 0.000 1.146 332 S HN 0.014 nan 8.310 nan 0.000 0.475 333 S N 0.601 115.734 115.700 -0.946 0.000 2.643 333 S HA 0.097 4.587 4.470 0.032 0.000 0.310 333 S C 0.268 174.538 174.600 -0.551 0.000 1.253 333 S CA 1.201 58.849 58.200 -0.919 0.000 1.047 333 S CB -1.370 61.631 63.200 -0.332 0.000 0.767 333 S HN 1.155 nan 8.310 nan 0.000 0.498 334 N N 2.238 120.708 118.700 -0.383 0.000 2.765 334 N HA -0.143 4.616 4.740 0.032 0.000 0.254 334 N C -0.275 175.182 175.510 -0.087 0.000 1.094 334 N CA 0.615 53.617 53.050 -0.080 0.000 0.680 334 N CB -1.538 36.933 38.487 -0.027 0.000 0.902 334 N HN 0.548 nan 8.380 nan 0.000 0.557 335 F N 0.001 120.044 119.950 0.154 0.000 2.502 335 F HA 0.197 4.742 4.527 0.030 0.000 0.298 335 F C 1.950 177.699 175.800 -0.085 0.000 1.111 335 F CA 0.725 58.808 58.000 0.139 0.000 1.445 335 F CB -0.168 39.027 39.000 0.324 0.000 1.081 335 F HN 0.396 nan 8.300 nan 0.000 0.558 336 A N 1.410 124.159 122.820 -0.119 0.000 2.565 336 A HA 0.350 4.689 4.320 0.032 0.000 0.237 336 A C 0.481 177.858 177.584 -0.345 0.000 1.053 336 A CA 0.151 51.743 52.037 -0.740 0.000 0.755 336 A CB 0.113 18.817 19.000 -0.494 0.000 0.980 336 A HN 0.171 nan 8.150 nan 0.000 0.506 337 R N 1.076 121.245 120.500 -0.553 0.000 2.707 337 R HA 0.399 4.758 4.340 0.032 0.000 0.272 337 R C -1.666 174.488 176.300 -0.244 0.000 1.011 337 R CA -0.434 55.614 56.100 -0.086 0.000 0.893 337 R CB 1.425 31.736 30.300 0.018 0.000 1.233 337 R HN 0.897 nan 8.270 nan 0.000 0.464 338 W N 2.057 123.368 121.300 0.017 0.000 2.683 338 W HA 0.433 5.113 4.660 0.032 0.000 0.329 338 W C 0.285 176.771 176.519 -0.055 0.000 1.037 338 W CA -0.689 56.638 57.345 -0.031 0.000 1.232 338 W CB 2.183 31.613 29.460 -0.051 0.000 1.390 338 W HN 0.274 nan 8.180 nan 0.000 0.465 339 R N 2.775 123.320 120.500 0.076 0.000 2.349 339 R HA 0.446 4.805 4.340 0.032 0.000 0.299 339 R C -1.515 174.658 176.300 -0.212 0.000 1.027 339 R CA 0.016 56.094 56.100 -0.038 0.000 0.958 339 R CB 0.815 31.143 30.300 0.047 0.000 1.047 339 R HN 0.415 nan 8.270 nan 0.000 0.468 340 Y N 0.681 120.696 120.300 -0.475 0.000 2.545 340 Y HA 0.567 5.135 4.550 0.031 0.000 0.348 340 Y C 0.548 175.952 175.900 -0.827 0.000 1.002 340 Y CA -0.787 57.036 58.100 -0.461 0.000 1.039 340 Y CB 2.606 40.667 38.460 -0.665 0.000 1.271 340 Y HN 0.762 nan 8.280 nan 0.000 0.467 341 G N 0.633 109.312 108.800 -0.201 0.000 2.495 341 G HA2 0.641 4.620 3.960 0.032 0.000 0.318 341 G HA3 0.641 4.620 3.960 0.032 0.000 0.318 341 G C -1.583 173.321 174.900 0.006 0.000 1.257 341 G CA -0.900 44.050 45.100 -0.251 0.000 0.962 341 G HN 0.774 nan 8.290 nan 0.000 0.483 342 V N -1.247 118.692 119.914 0.041 0.000 2.971 342 V HA 0.900 5.039 4.120 0.032 0.000 0.309 342 V C -0.423 175.753 176.094 0.136 0.000 1.130 342 V CA -1.025 61.367 62.300 0.153 0.000 0.964 342 V CB 1.769 33.746 31.823 0.257 0.000 1.029 342 V HN 0.696 nan 8.190 nan 0.000 0.427 343 S N 4.087 119.869 115.700 0.137 0.000 2.707 343 S HA 0.738 5.227 4.470 0.032 0.000 0.303 343 S C -0.574 174.089 174.600 0.105 0.000 1.132 343 S CA -0.388 57.871 58.200 0.099 0.000 1.046 343 S CB 1.098 64.334 63.200 0.060 0.000 1.004 343 S HN 0.719 nan 8.310 nan 0.000 0.483 344 I N 2.648 123.282 120.570 0.107 0.000 2.339 344 I HA 0.325 4.515 4.170 0.032 0.000 0.290 344 I C -0.113 176.010 176.117 0.009 0.000 0.994 344 I CA -0.382 60.972 61.300 0.091 0.000 1.191 344 I CB 1.680 39.787 38.000 0.180 0.000 1.343 344 I HN 0.397 nan 8.210 nan 0.000 0.458 345 T N 7.348 121.879 114.554 -0.037 0.000 2.753 345 T HA 0.483 4.852 4.350 0.032 0.000 0.297 345 T C 0.132 174.764 174.700 -0.113 0.000 0.981 345 T CA -0.466 61.585 62.100 -0.081 0.000 0.956 345 T CB 0.486 69.312 68.868 -0.070 0.000 0.936 345 T HN 0.273 nan 8.240 nan 0.000 0.463 346 L N 3.065 124.223 121.223 -0.109 0.000 2.453 346 L HA 0.545 4.904 4.340 0.032 0.000 0.261 346 L C 0.973 177.752 176.870 -0.150 0.000 1.179 346 L CA -0.284 54.465 54.840 -0.153 0.000 0.813 346 L CB 0.701 42.713 42.059 -0.078 0.000 1.110 346 L HN 0.731 nan 8.230 nan 0.000 0.466 347 S N -0.219 115.368 115.700 -0.188 0.000 2.806 347 S HA 0.944 5.433 4.470 0.032 0.000 0.306 347 S C -0.011 174.507 174.600 -0.137 0.000 1.167 347 S CA -0.157 57.959 58.200 -0.139 0.000 0.847 347 S CB 1.714 64.836 63.200 -0.129 0.000 1.216 347 S HN 1.187 nan 8.310 nan 0.000 0.532 348 G N 1.037 109.781 108.800 -0.093 0.000 2.520 348 G HA2 -0.089 3.890 3.960 0.032 0.000 0.248 348 G HA3 -0.089 3.890 3.960 0.032 0.000 0.248 348 G C -0.903 173.954 174.900 -0.071 0.000 1.161 348 G CA 0.077 45.131 45.100 -0.076 0.000 0.946 348 G HN 0.914 nan 8.290 nan 0.000 0.565 349 K N 0.235 120.583 120.400 -0.088 0.000 2.340 349 K HA 0.571 4.910 4.320 0.032 0.000 0.244 349 K C 0.322 176.860 176.600 -0.104 0.000 0.973 349 K CA -0.980 55.265 56.287 -0.070 0.000 0.828 349 K CB 2.112 34.593 32.500 -0.032 0.000 1.226 349 K HN 0.623 nan 8.250 nan 0.000 0.437 350 R N 1.097 121.557 120.500 -0.067 0.000 2.623 350 R HA 0.306 4.665 4.340 0.032 0.000 0.271 350 R C -1.061 175.197 176.300 -0.072 0.000 1.043 350 R CA 0.500 56.564 56.100 -0.061 0.000 1.083 350 R CB 0.484 30.769 30.300 -0.025 0.000 0.974 350 R HN 0.767 nan 8.270 nan 0.000 0.436 351 A N 2.126 124.897 122.820 -0.081 0.000 2.586 351 A HA 0.409 4.748 4.320 0.032 0.000 0.291 351 A C -1.149 176.441 177.584 0.011 0.000 1.062 351 A CA -0.690 51.318 52.037 -0.048 0.000 0.666 351 A CB 1.489 20.369 19.000 -0.200 0.000 1.281 351 A HN 0.725 nan 8.150 nan 0.000 0.421 352 T N -0.810 113.803 114.554 0.098 0.000 2.823 352 T HA 0.886 5.255 4.350 0.032 0.000 0.279 352 T C 0.224 175.038 174.700 0.189 0.000 0.998 352 T CA -0.022 62.139 62.100 0.102 0.000 0.994 352 T CB 1.509 70.419 68.868 0.071 0.000 0.960 352 T HN 2.438 nan 8.240 nan 0.000 0.448 353 G N 0.997 109.885 108.800 0.148 0.000 2.323 353 G HA2 0.425 4.405 3.960 0.032 0.000 0.291 353 G HA3 0.425 4.405 3.960 0.032 0.000 0.291 353 G C -2.030 172.933 174.900 0.104 0.000 1.278 353 G CA -0.926 44.295 45.100 0.203 0.000 0.860 353 G HN 0.803 nan 8.290 nan 0.000 0.504 354 Q N 0.261 120.130 119.800 0.116 0.000 2.372 354 Q HA 0.721 5.080 4.340 0.032 0.000 0.259 354 Q C -0.066 175.998 176.000 0.107 0.000 0.993 354 Q CA 0.045 55.870 55.803 0.037 0.000 0.854 354 Q CB 1.163 29.887 28.738 -0.023 0.000 1.231 354 Q HN 1.202 nan 8.270 nan 0.000 0.462 355 A N 4.709 127.614 122.820 0.141 0.000 2.331 355 A HA 0.660 5.000 4.320 0.032 0.000 0.283 355 A C -0.661 176.953 177.584 0.049 0.000 1.142 355 A CA -0.386 51.745 52.037 0.157 0.000 0.812 355 A CB 0.516 19.763 19.000 0.412 0.000 1.074 355 A HN 0.766 nan 8.150 nan 0.000 0.497 356 K N 0.634 120.959 120.400 -0.126 0.000 2.400 356 K HA 0.773 5.112 4.320 0.032 0.000 0.246 356 K C -1.624 174.940 176.600 -0.060 0.000 0.995 356 K CA -0.798 55.438 56.287 -0.086 0.000 0.840 356 K CB 2.596 35.012 32.500 -0.140 0.000 1.293 356 K HN 0.424 nan 8.250 nan 0.000 0.445 357 V N 0.422 120.337 119.914 0.002 0.000 2.932 357 V HA 0.748 4.887 4.120 0.032 0.000 0.307 357 V C -1.805 174.305 176.094 0.027 0.000 1.147 357 V CA -0.439 61.902 62.300 0.069 0.000 0.951 357 V CB 2.007 33.931 31.823 0.169 0.000 1.031 357 V HN 0.945 nan 8.190 nan 0.000 0.426 358 A N 6.006 128.885 122.820 0.098 0.000 2.414 358 A HA 0.901 5.240 4.320 0.032 0.000 0.306 358 A C -1.775 175.914 177.584 0.175 0.000 1.054 358 A CA -0.593 51.516 52.037 0.121 0.000 0.724 358 A CB 1.550 20.676 19.000 0.210 0.000 1.267 358 A HN 0.657 nan 8.150 nan 0.000 0.418 359 L N 1.439 122.676 121.223 0.023 0.000 2.322 359 L HA 0.620 4.980 4.340 0.032 0.000 0.279 359 L C -1.125 175.695 176.870 -0.084 0.000 1.036 359 L CA -0.230 54.597 54.840 -0.021 0.000 0.807 359 L CB 0.377 42.322 42.059 -0.189 0.000 1.226 359 L HN 0.603 nan 8.230 nan 0.000 0.433 360 F N 0.953 120.815 119.950 -0.147 0.000 2.499 360 F HA 0.711 5.258 4.527 0.032 0.000 0.333 360 F C 0.692 176.442 175.800 -0.084 0.000 1.138 360 F CA -0.577 57.367 58.000 -0.095 0.000 0.945 360 F CB 2.010 40.965 39.000 -0.074 0.000 1.181 360 F HN 0.537 nan 8.300 nan 0.000 0.435 361 G N 0.372 109.184 108.800 0.020 0.000 3.140 361 G HA2 0.410 4.389 3.960 0.032 0.000 0.271 361 G HA3 0.410 4.389 3.960 0.032 0.000 0.271 361 G C 0.537 175.447 174.900 0.018 0.000 1.370 361 G CA -0.181 44.933 45.100 0.023 0.000 1.014 361 G HN 0.534 nan 8.290 nan 0.000 0.541 362 S N -0.659 115.049 115.700 0.013 0.000 2.382 362 S HA -0.108 4.381 4.470 0.032 0.000 0.228 362 S C 1.638 176.230 174.600 -0.014 0.000 1.027 362 S CA 1.475 59.680 58.200 0.008 0.000 0.991 362 S CB -0.177 63.028 63.200 0.008 0.000 0.823 362 S HN 0.492 nan 8.310 nan 0.000 0.469 363 K N 1.352 121.728 120.400 -0.040 0.000 2.404 363 K HA 0.434 4.773 4.320 0.032 0.000 0.194 363 K C 0.898 177.445 176.600 -0.088 0.000 1.023 363 K CA 0.262 56.510 56.287 -0.067 0.000 1.094 363 K CB 0.454 32.896 32.500 -0.097 0.000 0.841 363 K HN 0.558 nan 8.250 nan 0.000 0.523 364 G N 1.404 110.151 108.800 -0.088 0.000 2.325 364 G HA2 -0.112 3.867 3.960 0.032 0.000 0.285 364 G HA3 -0.112 3.867 3.960 0.032 0.000 0.285 364 G C -2.033 172.738 174.900 -0.214 0.000 1.303 364 G CA -0.921 44.104 45.100 -0.125 0.000 0.970 364 G HN 0.193 nan 8.290 nan 0.000 0.490 365 N N -1.029 117.476 118.700 -0.324 0.000 2.321 365 N HA 0.694 5.454 4.740 0.032 0.000 0.290 365 N C -0.007 175.265 175.510 -0.396 0.000 1.212 365 N CA 0.171 52.870 53.050 -0.584 0.000 0.767 365 N CB 2.112 39.746 38.487 -1.421 0.000 1.494 365 N HN 1.075 nan 8.380 nan 0.000 0.479 366 T N -2.614 111.729 114.554 -0.352 0.000 2.849 366 T HA 0.328 4.697 4.350 0.032 0.000 0.276 366 T C 0.317 174.999 174.700 -0.030 0.000 0.971 366 T CA -0.353 61.682 62.100 -0.108 0.000 0.949 366 T CB 0.711 69.609 68.868 0.051 0.000 1.093 366 T HN 0.518 nan 8.240 nan 0.000 0.545 367 H N -0.331 118.669 119.070 -0.118 0.000 2.509 367 H HA 0.268 4.843 4.556 0.031 0.000 0.360 367 H C 0.228 175.375 175.328 -0.302 0.000 1.398 367 H CA -0.971 54.918 56.048 -0.264 0.000 1.429 367 H CB 0.604 30.122 29.762 -0.407 0.000 1.611 367 H HN 0.552 nan 8.280 nan 0.000 0.606 368 Q N 0.940 120.624 119.800 -0.194 0.000 2.288 368 Q HA 0.190 4.549 4.340 0.032 0.000 0.258 368 Q C -1.301 174.468 176.000 -0.384 0.000 0.957 368 Q CA 0.144 55.829 55.803 -0.197 0.000 0.919 368 Q CB 0.577 29.220 28.738 -0.158 0.000 1.185 368 Q HN 0.270 nan 8.270 nan 0.000 0.408 369 F N 1.587 121.333 119.950 -0.341 0.000 2.458 369 F HA 0.285 4.830 4.527 0.030 0.000 0.336 369 F C 0.242 175.896 175.800 -0.244 0.000 1.114 369 F CA -1.169 56.587 58.000 -0.408 0.000 0.987 369 F CB 1.262 39.660 39.000 -1.004 0.000 1.130 369 F HN 0.403 nan 8.300 nan 0.000 0.458 370 N N 3.900 122.624 118.700 0.040 0.000 2.434 370 N HA 0.027 4.786 4.740 0.032 0.000 0.268 370 N C 0.613 176.188 175.510 0.109 0.000 1.256 370 N CA 0.271 53.347 53.050 0.044 0.000 0.914 370 N CB 0.666 39.168 38.487 0.025 0.000 1.088 370 N HN 0.445 nan 8.380 nan 0.000 0.478 371 I N 1.150 121.800 120.570 0.134 0.000 2.899 371 I HA 0.222 4.411 4.170 0.032 0.000 0.257 371 I C 0.393 176.666 176.117 0.261 0.000 1.115 371 I CA 0.691 62.117 61.300 0.211 0.000 1.451 371 I CB -0.367 37.785 38.000 0.254 0.000 1.251 371 I HN 0.311 nan 8.210 nan 0.000 0.456 372 F N 1.351 121.325 119.950 0.041 0.000 2.615 372 F HA 0.474 5.021 4.527 0.033 0.000 0.312 372 F C -0.633 175.134 175.800 -0.055 0.000 1.119 372 F CA -0.968 57.008 58.000 -0.041 0.000 0.979 372 F CB 1.387 40.289 39.000 -0.162 0.000 1.266 372 F HN -0.260 nan 8.300 nan 0.000 0.444 373 K N 4.583 124.375 120.400 -1.014 0.000 2.426 373 K HA 0.779 5.118 4.320 0.032 0.000 0.254 373 K C -0.402 175.583 176.600 -1.024 0.000 0.936 373 K CA -0.159 55.696 56.287 -0.720 0.000 0.801 373 K CB 1.756 34.044 32.500 -0.353 0.000 1.139 373 K HN 1.079 nan 8.250 nan 0.000 0.424 374 G N 3.216 111.676 108.800 -0.567 0.000 2.439 374 G HA2 0.063 4.042 3.960 0.032 0.000 0.186 374 G HA3 0.063 4.042 3.960 0.032 0.000 0.186 374 G C -1.340 173.542 174.900 -0.030 0.000 1.260 374 G CA -0.937 43.977 45.100 -0.310 0.000 1.020 374 G HN 0.497 nan 8.290 nan 0.000 0.470 375 I N 2.040 122.679 120.570 0.115 0.000 2.337 375 I HA 0.323 4.512 4.170 0.032 0.000 0.291 375 I C -0.027 176.217 176.117 0.212 0.000 1.046 375 I CA -0.213 61.167 61.300 0.133 0.000 1.324 375 I CB 0.936 39.001 38.000 0.108 0.000 1.409 375 I HN 0.195 nan 8.210 nan 0.000 0.494 376 L N 8.386 129.685 121.223 0.128 0.000 2.302 376 L HA 0.283 4.642 4.340 0.032 0.000 0.285 376 L C 0.216 177.102 176.870 0.028 0.000 1.090 376 L CA -0.514 54.387 54.840 0.101 0.000 0.866 376 L CB -0.223 41.839 42.059 0.005 0.000 1.244 376 L HN 0.580 nan 8.230 nan 0.000 0.435 377 K N 3.042 123.481 120.400 0.064 0.000 2.185 377 K HA 0.623 4.963 4.320 0.032 0.000 0.269 377 K C -2.786 173.803 176.600 -0.019 0.000 0.987 377 K CA -2.084 54.211 56.287 0.013 0.000 0.865 377 K CB 1.251 33.766 32.500 0.025 0.000 1.090 377 K HN 0.049 nan 8.250 nan 0.000 0.450 378 P HA 0.002 nan 4.420 nan 0.000 0.266 378 P C 0.563 177.826 177.300 -0.061 0.000 1.195 378 P CA 0.889 63.949 63.100 -0.066 0.000 0.768 378 P CB 0.741 32.402 31.700 -0.064 0.000 0.838 379 G N 1.311 110.067 108.800 -0.074 0.000 2.176 379 G HA2 -0.218 3.761 3.960 0.032 0.000 0.253 379 G HA3 -0.218 3.761 3.960 0.032 0.000 0.253 379 G C 0.297 175.138 174.900 -0.099 0.000 0.979 379 G CA 0.299 45.354 45.100 -0.076 0.000 0.641 379 G HN 0.827 nan 8.290 nan 0.000 0.530 380 S N -0.690 114.940 115.700 -0.116 0.000 2.690 380 S HA 0.838 5.327 4.470 0.032 0.000 0.291 380 S C -0.248 174.171 174.600 -0.302 0.000 1.138 380 S CA 0.356 58.430 58.200 -0.210 0.000 1.013 380 S CB 2.530 65.617 63.200 -0.188 0.000 1.053 380 S HN 0.633 nan 8.310 nan 0.000 0.539 381 T N 2.281 116.545 114.554 -0.484 0.000 2.861 381 T HA 0.539 4.908 4.350 0.032 0.000 0.287 381 T C -1.324 172.948 174.700 -0.713 0.000 1.003 381 T CA -0.560 61.291 62.100 -0.415 0.000 0.977 381 T CB 0.844 69.580 68.868 -0.220 0.000 0.996 381 T HN 0.718 nan 8.240 nan 0.000 0.448 382 H N 0.738 119.706 119.070 -0.169 0.000 2.717 382 H HA 0.657 5.232 4.556 0.032 0.000 0.366 382 H C -0.741 174.566 175.328 -0.035 0.000 1.132 382 H CA -0.687 55.244 56.048 -0.195 0.000 1.180 382 H CB 2.207 31.722 29.762 -0.412 0.000 1.678 382 H HN 0.507 nan 8.280 nan 0.000 0.537 383 S N 1.657 117.419 115.700 0.104 0.000 2.634 383 S HA 0.523 5.012 4.470 0.032 0.000 0.296 383 S C -0.385 174.275 174.600 0.100 0.000 1.104 383 S CA -0.791 57.465 58.200 0.093 0.000 0.920 383 S CB 2.362 65.585 63.200 0.038 0.000 1.111 383 S HN 0.687 nan 8.310 nan 0.000 0.493 384 N N 0.213 118.953 118.700 0.067 0.000 3.348 384 N HA 0.299 5.059 4.740 0.032 0.000 0.233 384 N C -2.156 173.305 175.510 -0.082 0.000 1.440 384 N CA -0.434 52.632 53.050 0.026 0.000 0.887 384 N CB 1.418 39.978 38.487 0.123 0.000 1.410 384 N HN 0.681 nan 8.380 nan 0.000 0.502 385 E N 0.169 120.247 120.200 -0.204 0.000 2.288 385 E HA 0.632 5.001 4.350 0.032 0.000 0.268 385 E C -1.166 175.260 176.600 -0.290 0.000 0.885 385 E CA -0.681 55.429 56.400 -0.484 0.000 0.767 385 E CB 1.967 31.197 29.700 -0.783 0.000 1.220 385 E HN 0.410 nan 8.360 nan 0.000 0.427 386 F N -1.344 118.398 119.950 -0.346 0.000 2.626 386 F HA 0.527 5.072 4.527 0.031 0.000 0.311 386 F C -1.103 174.503 175.800 -0.323 0.000 1.088 386 F CA -1.235 56.547 58.000 -0.363 0.000 0.949 386 F CB 1.296 39.912 39.000 -0.640 0.000 1.322 386 F HN 0.088 nan 8.300 nan 0.000 0.461 387 D N 2.196 122.623 120.400 0.045 0.000 2.392 387 D HA 0.511 5.170 4.640 0.032 0.000 0.228 387 D C -0.285 176.184 176.300 0.282 0.000 1.074 387 D CA -0.025 54.060 54.000 0.142 0.000 0.838 387 D CB 1.938 42.847 40.800 0.182 0.000 1.067 387 D HN 0.884 nan 8.370 nan 0.000 0.511 388 A N 2.154 125.185 122.820 0.353 0.000 2.252 388 A HA 0.268 4.607 4.320 0.032 0.000 0.305 388 A C 0.997 178.830 177.584 0.415 0.000 1.097 388 A CA -0.509 51.813 52.037 0.475 0.000 0.849 388 A CB 0.986 20.252 19.000 0.443 0.000 1.142 388 A HN 0.392 nan 8.150 nan 0.000 0.499 389 K N -0.721 119.840 120.400 0.268 0.000 2.444 389 K HA 0.233 4.572 4.320 0.032 0.000 0.193 389 K C -0.122 176.577 176.600 0.165 0.000 1.024 389 K CA 0.488 56.891 56.287 0.193 0.000 1.077 389 K CB -0.543 31.958 32.500 0.002 0.000 0.833 389 K HN 0.607 nan 8.250 nan 0.000 0.517 390 L N -3.759 117.485 121.223 0.034 0.000 2.838 390 L HA 0.480 4.840 4.340 0.032 0.000 0.266 390 L C -1.895 174.577 176.870 -0.663 0.000 1.040 390 L CA -1.279 53.233 54.840 -0.547 0.000 0.906 390 L CB 1.590 43.429 42.059 -0.367 0.000 1.501 390 L HN -0.313 nan 8.230 nan 0.000 0.407 391 D N 1.218 120.876 120.400 -1.236 0.000 2.313 391 D HA 0.299 4.958 4.640 0.032 0.000 0.239 391 D C 0.886 177.002 176.300 -0.306 0.000 1.142 391 D CA -0.171 53.379 54.000 -0.750 0.000 0.847 391 D CB 2.154 42.407 40.800 -0.910 0.000 1.082 391 D HN 0.624 nan 8.370 nan 0.000 0.480 392 V N 2.393 122.274 119.914 -0.054 0.000 3.510 392 V HA 0.307 4.446 4.120 0.032 0.000 0.270 392 V C 1.339 177.408 176.094 -0.041 0.000 1.201 392 V CA 0.845 63.102 62.300 -0.072 0.000 1.166 392 V CB -1.099 30.676 31.823 -0.081 0.000 0.825 392 V HN 0.794 nan 8.190 nan 0.000 0.484 393 G N 0.870 109.654 108.800 -0.026 0.000 2.514 393 G HA2 -0.267 3.713 3.960 0.032 0.000 0.265 393 G HA3 -0.267 3.713 3.960 0.032 0.000 0.265 393 G C 0.050 174.960 174.900 0.017 0.000 1.150 393 G CA 0.095 45.188 45.100 -0.010 0.000 0.959 393 G HN 0.754 nan 8.290 nan 0.000 0.556 394 T N 1.670 116.228 114.554 0.007 0.000 2.794 394 T HA 0.509 4.878 4.350 0.032 0.000 0.296 394 T C 0.825 175.530 174.700 0.009 0.000 0.949 394 T CA 0.108 62.203 62.100 -0.008 0.000 1.101 394 T CB 0.602 69.471 68.868 0.002 0.000 0.905 394 T HN 0.540 nan 8.240 nan 0.000 0.516 395 I N 3.814 124.381 120.570 -0.004 0.000 2.436 395 I HA 0.087 4.276 4.170 0.032 0.000 0.289 395 I C 1.379 177.618 176.117 0.204 0.000 1.083 395 I CA 0.116 61.461 61.300 0.075 0.000 1.372 395 I CB 0.650 38.716 38.000 0.109 0.000 1.408 395 I HN 0.781 nan 8.210 nan 0.000 0.516 396 E N 5.938 126.227 120.200 0.149 0.000 2.216 396 E HA 0.049 4.419 4.350 0.032 0.000 0.192 396 E C -0.065 176.693 176.600 0.263 0.000 0.973 396 E CA 0.424 56.949 56.400 0.208 0.000 0.851 396 E CB 0.404 30.179 29.700 0.126 0.000 0.804 396 E HN 0.616 nan 8.360 nan 0.000 0.477 397 K N -1.019 119.395 120.400 0.023 0.000 2.642 397 K HA 0.521 4.860 4.320 0.032 0.000 0.290 397 K C -1.413 174.975 176.600 -0.354 0.000 1.006 397 K CA -0.777 55.430 56.287 -0.133 0.000 0.869 397 K CB 1.840 34.320 32.500 -0.033 0.000 1.499 397 K HN -0.179 nan 8.250 nan 0.000 0.403 398 V N 1.056 120.743 119.914 -0.378 0.000 2.823 398 V HA 0.468 4.607 4.120 0.032 0.000 0.312 398 V C -1.109 174.948 176.094 -0.061 0.000 1.072 398 V CA -0.876 61.293 62.300 -0.219 0.000 0.937 398 V CB 2.122 33.751 31.823 -0.324 0.000 1.013 398 V HN 0.674 nan 8.190 nan 0.000 0.430 399 K N 3.516 123.938 120.400 0.036 0.000 2.358 399 K HA 0.503 4.842 4.320 0.032 0.000 0.260 399 K C -1.238 175.446 176.600 0.140 0.000 0.956 399 K CA -0.404 55.905 56.287 0.036 0.000 0.834 399 K CB 2.168 34.622 32.500 -0.076 0.000 1.102 399 K HN 0.539 nan 8.250 nan 0.000 0.431 400 F N 4.140 124.113 119.950 0.038 0.000 2.399 400 F HA 0.587 5.134 4.527 0.033 0.000 0.334 400 F C -1.104 174.758 175.800 0.103 0.000 1.097 400 F CA -0.849 57.200 58.000 0.081 0.000 1.076 400 F CB 0.730 39.785 39.000 0.092 0.000 1.162 400 F HN 0.398 nan 8.300 nan 0.000 0.495 401 L N 7.270 127.957 121.223 -0.894 0.000 2.506 401 L HA 0.535 4.894 4.340 0.032 0.000 0.257 401 L C -2.105 174.383 176.870 -0.636 0.000 0.964 401 L CA -0.442 54.059 54.840 -0.566 0.000 0.836 401 L CB 1.944 43.841 42.059 -0.269 0.000 1.384 401 L HN 0.751 nan 8.230 nan 0.000 0.410 402 W N 2.972 123.974 121.300 -0.496 0.000 3.022 402 W HA 0.600 5.279 4.660 0.031 0.000 0.335 402 W C -1.829 174.610 176.519 -0.133 0.000 1.133 402 W CA -0.763 56.413 57.345 -0.282 0.000 1.219 402 W CB 1.352 30.748 29.460 -0.107 0.000 1.409 402 W HN 0.502 nan 8.180 nan 0.000 0.507 403 N N 3.558 122.161 118.700 -0.163 0.000 2.354 403 N HA 0.147 4.906 4.740 0.032 0.000 0.287 403 N C 0.023 175.451 175.510 -0.136 0.000 1.016 403 N CA -0.405 52.459 53.050 -0.310 0.000 0.871 403 N CB 1.670 40.047 38.487 -0.184 0.000 1.299 403 N HN 0.460 nan 8.380 nan 0.000 0.482 410 P HA -0.143 nan 4.420 nan 0.000 0.221 410 P C 0.858 177.637 177.300 -0.867 0.000 1.145 410 P CA 1.345 64.115 63.100 -0.551 0.000 0.795 410 P CB 0.012 31.553 31.700 -0.265 0.000 0.775 411 T N -4.946 109.301 114.554 -0.512 0.000 3.129 411 T HA 0.056 4.426 4.350 0.032 0.000 0.251 411 T C 0.385 174.967 174.700 -0.195 0.000 1.117 411 T CA -0.471 61.430 62.100 -0.331 0.000 1.034 411 T CB -1.178 67.618 68.868 -0.121 0.000 0.968 411 T HN -0.113 nan 8.240 nan 0.000 0.526 412 F N 1.278 121.271 119.950 0.072 0.000 2.866 412 F HA -0.099 4.447 4.527 0.032 0.000 0.254 412 F C -1.820 174.059 175.800 0.133 0.000 1.009 412 F CA -0.791 57.268 58.000 0.098 0.000 0.907 412 F CB -2.470 36.572 39.000 0.070 0.000 0.859 412 F HN 0.269 nan 8.300 nan 0.000 0.842 413 P HA 0.090 nan 4.420 nan 0.000 0.267 413 P C -0.164 177.310 177.300 0.289 0.000 1.201 413 P CA 0.191 63.410 63.100 0.197 0.000 0.775 413 P CB 0.846 32.620 31.700 0.123 0.000 0.854 414 K N 1.199 121.702 120.400 0.172 0.000 2.323 414 K HA 0.484 4.823 4.320 0.032 0.000 0.259 414 K C -0.778 175.830 176.600 0.014 0.000 0.947 414 K CA -0.934 55.475 56.287 0.204 0.000 0.819 414 K CB 1.883 34.478 32.500 0.158 0.000 1.109 414 K HN 0.191 nan 8.250 nan 0.000 0.429 415 V N 1.782 121.645 119.914 -0.085 0.000 2.581 415 V HA 0.692 4.831 4.120 0.032 0.000 0.303 415 V C 0.440 176.496 176.094 -0.064 0.000 1.041 415 V CA -0.608 61.472 62.300 -0.366 0.000 0.907 415 V CB 1.717 32.820 31.823 -1.200 0.000 0.994 415 V HN 0.987 nan 8.190 nan 0.000 0.442 416 G N 1.833 110.509 108.800 -0.206 0.000 2.921 416 G HA2 0.816 4.795 3.960 0.032 0.000 0.291 416 G HA3 0.816 4.795 3.960 0.032 0.000 0.291 416 G C -1.404 173.068 174.900 -0.714 0.000 1.370 416 G CA -0.301 44.618 45.100 -0.301 0.000 0.847 416 G HN 1.112 nan 8.290 nan 0.000 0.532 417 A N -1.176 121.256 122.820 -0.647 0.000 2.357 417 A HA 0.725 5.064 4.320 0.032 0.000 0.295 417 A C 0.716 178.165 177.584 -0.226 0.000 1.121 417 A CA 0.443 52.162 52.037 -0.530 0.000 0.742 417 A CB 1.449 20.080 19.000 -0.616 0.000 1.181 417 A HN 1.806 nan 8.150 nan 0.000 0.454 418 A N 2.167 124.895 122.820 -0.155 0.000 2.016 418 A HA 0.297 4.636 4.320 0.032 0.000 0.217 418 A C 0.986 178.549 177.584 -0.036 0.000 1.162 418 A CA 1.643 53.632 52.037 -0.080 0.000 0.662 418 A CB -0.019 18.939 19.000 -0.071 0.000 0.812 418 A HN 0.735 nan 8.150 nan 0.000 0.450 419 K N -0.616 119.766 120.400 -0.030 0.000 2.561 419 K HA 0.590 4.929 4.320 0.032 0.000 0.254 419 K C -2.123 174.511 176.600 0.057 0.000 0.942 419 K CA -0.455 55.848 56.287 0.026 0.000 0.818 419 K CB 1.242 33.750 32.500 0.013 0.000 1.306 419 K HN 0.145 nan 8.250 nan 0.000 0.435 420 I N 3.698 124.353 120.570 0.143 0.000 2.418 420 I HA 0.256 4.445 4.170 0.032 0.000 0.287 420 I C -0.200 176.080 176.117 0.273 0.000 1.008 420 I CA -0.809 60.605 61.300 0.190 0.000 1.104 420 I CB 2.141 40.268 38.000 0.211 0.000 1.264 420 I HN 0.672 nan 8.210 nan 0.000 0.438 421 T N 3.482 118.162 114.554 0.210 0.000 2.867 421 T HA 0.746 5.115 4.350 0.032 0.000 0.282 421 T C -0.413 174.443 174.700 0.260 0.000 1.000 421 T CA -0.685 61.548 62.100 0.221 0.000 1.042 421 T CB 1.846 70.788 68.868 0.123 0.000 0.973 421 T HN 0.201 nan 8.240 nan 0.000 0.465 422 V N 2.709 122.825 119.914 0.335 0.000 2.604 422 V HA 0.661 4.800 4.120 0.032 0.000 0.305 422 V C -0.569 175.725 176.094 0.333 0.000 1.043 422 V CA -0.875 61.631 62.300 0.345 0.000 0.888 422 V CB 1.686 33.763 31.823 0.423 0.000 0.995 422 V HN 1.029 nan 8.190 nan 0.000 0.429 423 Q N 3.732 123.721 119.800 0.317 0.000 2.290 423 Q HA 0.436 4.795 4.340 0.032 0.000 0.269 423 Q C -0.990 175.222 176.000 0.354 0.000 1.016 423 Q CA -0.481 55.496 55.803 0.291 0.000 0.754 423 Q CB 1.593 30.488 28.738 0.260 0.000 1.247 423 Q HN 0.665 nan 8.270 nan 0.000 0.451 424 K N 2.609 123.172 120.400 0.271 0.000 2.249 424 K HA 0.260 4.599 4.320 0.032 0.000 0.280 424 K C 0.958 177.568 176.600 0.016 0.000 1.033 424 K CA 0.268 56.632 56.287 0.129 0.000 0.946 424 K CB 1.246 33.828 32.500 0.136 0.000 1.005 424 K HN 0.935 nan 8.250 nan 0.000 0.469 425 G N 2.524 111.325 108.800 0.002 0.000 2.450 425 G HA2 -0.247 3.732 3.960 0.032 0.000 0.220 425 G HA3 -0.247 3.732 3.960 0.032 0.000 0.220 425 G C 0.763 175.618 174.900 -0.076 0.000 1.130 425 G CA 0.585 45.595 45.100 -0.150 0.000 0.760 425 G HN 0.679 nan 8.290 nan 0.000 0.557 426 E N 0.413 120.611 120.200 -0.003 0.000 2.444 426 E HA 0.147 4.516 4.350 0.032 0.000 0.191 426 E C 0.046 176.656 176.600 0.015 0.000 1.041 426 E CA 0.021 56.423 56.400 0.005 0.000 0.883 426 E CB 0.376 30.095 29.700 0.032 0.000 1.024 426 E HN 0.542 nan 8.360 nan 0.000 0.470 427 E N 0.561 120.766 120.200 0.009 0.000 2.263 427 E HA 0.249 4.618 4.350 0.032 0.000 0.264 427 E C 0.237 176.834 176.600 -0.005 0.000 0.923 427 E CA -0.440 55.979 56.400 0.031 0.000 0.802 427 E CB 2.039 31.793 29.700 0.090 0.000 1.228 427 E HN -0.135 nan 8.360 nan 0.000 0.417 428 K N 0.142 120.541 120.400 -0.000 0.000 2.284 428 K HA 0.047 4.387 4.320 0.032 0.000 0.198 428 K C 0.998 177.577 176.600 -0.036 0.000 1.048 428 K CA 0.497 56.774 56.287 -0.017 0.000 0.987 428 K CB 0.548 33.044 32.500 -0.007 0.000 0.800 428 K HN 0.356 nan 8.250 nan 0.000 0.486 429 T N -0.438 114.084 114.554 -0.054 0.000 2.810 429 T HA 0.366 4.735 4.350 0.032 0.000 0.277 429 T C 0.032 174.615 174.700 -0.195 0.000 0.973 429 T CA -0.840 61.185 62.100 -0.125 0.000 0.949 429 T CB 1.059 69.828 68.868 -0.165 0.000 1.075 429 T HN -0.126 nan 8.240 nan 0.000 0.537 430 V N 0.217 119.973 119.914 -0.264 0.000 3.624 430 V HA 0.802 4.942 4.120 0.032 0.000 0.297 430 V C -0.685 175.163 176.094 -0.410 0.000 1.319 430 V CA -0.658 61.510 62.300 -0.220 0.000 0.990 430 V CB 2.084 33.868 31.823 -0.064 0.000 1.247 430 V HN 0.959 nan 8.190 nan 0.000 0.476 431 S N -0.202 115.396 115.700 -0.169 0.000 2.570 431 S HA 0.680 5.170 4.470 0.032 0.000 0.286 431 S C -1.656 172.644 174.600 -0.500 0.000 1.143 431 S CA -0.368 57.735 58.200 -0.161 0.000 0.921 431 S CB 1.176 64.318 63.200 -0.097 0.000 1.108 431 S HN 0.397 nan 8.310 nan 0.000 0.456 432 F N 0.914 120.911 119.950 0.078 0.000 2.565 432 F HA 0.748 5.295 4.527 0.032 0.000 0.313 432 F C 0.185 176.008 175.800 0.038 0.000 1.091 432 F CA -0.581 57.458 58.000 0.064 0.000 0.915 432 F CB 1.640 40.688 39.000 0.080 0.000 1.208 432 F HN 0.552 nan 8.300 nan 0.000 0.453 433 c N 0.589 119.290 118.600 0.168 0.000 3.154 433 c HA 0.899 5.488 4.570 0.032 0.000 0.312 433 c C -0.443 173.688 174.090 0.069 0.000 1.349 433 c CA -0.891 55.489 56.329 0.086 0.000 1.518 433 c CB 1.981 44.512 42.510 0.035 0.000 1.934 433 c HN 0.851 nan 8.230 nan 0.000 0.462 434 S N -0.759 114.958 115.700 0.029 0.000 2.565 434 S HA 0.373 4.862 4.470 0.032 0.000 0.274 434 S C -0.764 173.832 174.600 -0.007 0.000 1.144 434 S CA -0.349 57.861 58.200 0.016 0.000 0.849 434 S CB 1.283 64.495 63.200 0.019 0.000 1.103 434 S HN 0.808 nan 8.310 nan 0.000 0.455 435 E N 0.959 121.158 120.200 -0.002 0.000 2.526 435 E HA 0.258 4.627 4.350 0.032 0.000 0.208 435 E C -0.220 176.377 176.600 -0.006 0.000 0.997 435 E CA -0.094 56.301 56.400 -0.010 0.000 0.961 435 E CB 0.963 30.660 29.700 -0.004 0.000 1.030 435 E HN 0.473 nan 8.360 nan 0.000 0.483 436 S N 0.611 116.312 115.700 0.002 0.000 2.687 436 S HA 0.453 4.942 4.470 0.032 0.000 0.283 436 S C 0.208 174.818 174.600 0.018 0.000 1.170 436 S CA -0.666 57.544 58.200 0.017 0.000 1.008 436 S CB 1.641 64.859 63.200 0.031 0.000 1.026 436 S HN 0.220 nan 8.310 nan 0.000 0.541 437 T N -1.800 112.781 114.554 0.046 0.000 2.883 437 T HA 0.814 5.183 4.350 0.032 0.000 0.296 437 T C -0.595 174.192 174.700 0.144 0.000 1.117 437 T CA -0.822 61.322 62.100 0.073 0.000 1.006 437 T CB 0.993 69.887 68.868 0.043 0.000 1.191 437 T HN 0.768 nan 8.240 nan 0.000 0.508 438 V N -1.372 118.692 119.914 0.251 0.000 3.160 438 V HA 0.753 4.892 4.120 0.032 0.000 0.310 438 V C -0.318 176.045 176.094 0.448 0.000 1.181 438 V CA -1.605 60.865 62.300 0.284 0.000 1.047 438 V CB 1.677 33.668 31.823 0.281 0.000 1.068 438 V HN 1.100 nan 8.190 nan 0.000 0.441 439 R N 0.939 121.622 120.500 0.305 0.000 2.546 439 R HA 0.345 4.704 4.340 0.032 0.000 0.266 439 R C -0.033 176.279 176.300 0.020 0.000 1.086 439 R CA -0.584 55.696 56.100 0.299 0.000 1.160 439 R CB 0.622 30.988 30.300 0.109 0.000 1.138 439 R HN 0.985 nan 8.270 nan 0.000 0.567 440 E N 1.285 121.201 120.200 -0.473 0.000 2.502 440 E HA -0.198 4.171 4.350 0.032 0.000 0.261 440 E C -0.374 175.864 176.600 -0.604 0.000 0.974 440 E CA 0.394 56.049 56.400 -1.242 0.000 0.936 440 E CB 0.280 29.254 29.700 -1.210 0.000 0.926 440 E HN 0.667 nan 8.360 nan 0.000 0.459 441 D N 0.467 120.522 120.400 -0.575 0.000 3.041 441 D HA -0.151 4.508 4.640 0.032 0.000 0.220 441 D C -1.334 174.845 176.300 -0.201 0.000 1.157 441 D CA 0.969 54.776 54.000 -0.321 0.000 0.876 441 D CB -0.754 39.888 40.800 -0.264 0.000 1.107 441 D HN 0.307 nan 8.370 nan 0.000 0.422 442 V N 0.888 120.708 119.914 -0.157 0.000 2.495 442 V HA 0.452 4.592 4.120 0.032 0.000 0.298 442 V C 0.640 176.725 176.094 -0.014 0.000 1.031 442 V CA -0.864 61.400 62.300 -0.061 0.000 0.871 442 V CB 1.877 33.695 31.823 -0.009 0.000 0.988 442 V HN 0.086 nan 8.190 nan 0.000 0.432 443 L N 5.279 126.491 121.223 -0.019 0.000 2.319 443 L HA 0.407 4.766 4.340 0.032 0.000 0.280 443 L C -0.223 176.673 176.870 0.044 0.000 1.099 443 L CA 0.082 54.921 54.840 -0.003 0.000 0.828 443 L CB 0.787 42.820 42.059 -0.043 0.000 1.150 443 L HN 0.428 nan 8.230 nan 0.000 0.442 444 L N 3.358 124.652 121.223 0.118 0.000 2.313 444 L HA 0.470 4.830 4.340 0.032 0.000 0.283 444 L C -0.494 176.430 176.870 0.090 0.000 1.013 444 L CA -0.179 54.746 54.840 0.142 0.000 0.816 444 L CB 1.871 44.097 42.059 0.278 0.000 1.236 444 L HN 0.549 nan 8.230 nan 0.000 0.419 445 T N 5.678 120.247 114.554 0.026 0.000 2.767 445 T HA 0.505 4.874 4.350 0.032 0.000 0.284 445 T C -0.216 174.502 174.700 0.030 0.000 0.973 445 T CA -0.299 61.791 62.100 -0.017 0.000 0.996 445 T CB 1.163 69.985 68.868 -0.077 0.000 0.927 445 T HN 0.294 nan 8.240 nan 0.000 0.456 446 L N 3.738 124.992 121.223 0.052 0.000 2.325 446 L HA 0.610 4.969 4.340 0.032 0.000 0.278 446 L C 0.936 177.918 176.870 0.187 0.000 1.023 446 L CA -0.412 54.499 54.840 0.118 0.000 0.811 446 L CB 1.781 43.937 42.059 0.162 0.000 1.249 446 L HN 0.746 nan 8.230 nan 0.000 0.431 447 T N -0.124 114.563 114.554 0.221 0.000 2.942 447 T HA 0.665 5.034 4.350 0.032 0.000 0.289 447 T C -2.751 172.099 174.700 0.250 0.000 1.044 447 T CA -2.533 59.724 62.100 0.261 0.000 1.023 447 T CB 1.571 70.513 68.868 0.123 0.000 1.123 447 T HN 0.180 nan 8.240 nan 0.000 0.512 448 P HA 0.222 nan 4.420 nan 0.000 0.263 448 P C -0.209 177.027 177.300 -0.107 0.000 1.175 448 P CA -0.203 62.800 63.100 -0.161 0.000 0.761 448 P CB -0.046 31.598 31.700 -0.093 0.000 0.794 701 H N 0.000 119.131 119.070 0.101 0.000 2.539 701 H HA 0.000 4.575 4.556 0.032 0.000 0.296 701 H CA 0.000 56.063 56.048 0.025 0.000 1.023 701 H CB 0.000 29.864 29.762 0.169 0.000 1.292 701 H HN 0.000 nan 8.280 nan 0.000 0.496