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 1y79_1_1 DATA FIRST_RESID 1 DATA SEQUENCE TTMNPFLVQS TLPYLAPHFD QIANHHYRPA FDEGMQQKRA EIAAIALNPQ DATA SEQUENCE MPDFNNTILA LEQSGELLTR VTSVFFAMTA AHTNDELQRL DEQFSAELAE DATA SEQUENCE LANDIYLNGE LFARVDAVWQ RRESLGLDSE SIRLVEVIHQ RFVLAGAKLA DATA SEQUENCE QADKAKLKVL NTEAATLTSQ FNQRLLAANK SGGLVVNDIA QLAGMSEQEI DATA SEQUENCE ALAAEAAREK GLDNKWLIPL LNTTQQPALA EMRDRATREK LFIAGWTRAE DATA SEQUENCE KNDANDTRAI IQRLVEIRAQ QATLLGFPHY AAWKIADQMA KTPEAALNFM DATA SEQUENCE REIVPAARQR ASDELASIQA VIDKQQGGFS AQPWDWAFYA EQVRREKFDL DATA SEQUENCE DEAQLKPYFE LNTVLNEGVF WTANQLFGIK FVERFDIPVY HPDVRVWEIF DATA SEQUENCE DHNGVGLALF YGDFFARDSK SGGAWMGNFV EQSTLNKTHP VIYNVCNYQK DATA SEQUENCE PAAGEPALLL WDDVITLFHE FGHTLHGLFA RQRYATLSGT NTPRDFVEFP DATA SEQUENCE SQINEHWATH PQVFARYARH YQSGAAMPDE LQQKMRNASL FNKGYEMSEL DATA SEQUENCE LSAALLDMRW HCLEENEAMQ DVDDFELRAL VAENMDLPAI PPRYRSSYFA DATA SEQUENCE HIFGGGYAAG YYAYLWTQML ADDGYQWFVE QGGLTRENGL RFREAILSRG DATA SEQUENCE NSEDLERLYR QWRGKAPKIM PMLQHRGLNI 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 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.702 174.700 0.003 0.000 1.109 1 T CA 0.000 62.097 62.100 -0.005 0.000 1.349 1 T CB 0.000 68.863 68.868 -0.009 0.000 0.612 2 T N 4.922 119.494 114.554 0.029 0.000 2.747 2 T HA 0.617 4.966 4.350 -0.002 0.000 0.301 2 T C -0.296 174.466 174.700 0.103 0.000 0.952 2 T CA -0.463 61.684 62.100 0.078 0.000 0.983 2 T CB -0.151 68.780 68.868 0.104 0.000 0.930 2 T HN 0.314 nan 8.240 nan 0.000 0.494 3 M N 2.351 121.983 119.600 0.054 0.000 2.520 3 M HA 0.314 4.793 4.480 -0.002 0.000 0.280 3 M C -0.197 175.962 176.300 -0.234 0.000 1.232 3 M CA -1.050 54.248 55.300 -0.004 0.000 0.892 3 M CB 1.777 34.362 32.600 -0.025 0.000 1.728 3 M HN 0.384 nan 8.290 nan 0.000 0.475 4 N N 2.953 121.439 118.700 -0.356 0.000 2.142 4 N HA -0.078 4.661 4.740 -0.002 0.000 0.282 4 N C -1.797 173.430 175.510 -0.472 0.000 1.342 4 N CA -0.040 52.635 53.050 -0.626 0.000 0.831 4 N CB 0.489 38.842 38.487 -0.224 0.000 1.083 4 N HN 0.252 nan 8.380 nan 0.000 0.492 5 P HA -0.053 nan 4.420 nan 0.000 0.229 5 P C 0.328 177.383 177.300 -0.409 0.000 1.160 5 P CA 0.929 63.735 63.100 -0.490 0.000 0.777 5 P CB 0.202 31.559 31.700 -0.572 0.000 0.814 6 F N -0.883 118.938 119.950 -0.216 0.000 2.325 6 F HA 0.012 4.538 4.527 -0.002 0.000 0.299 6 F C 1.751 177.487 175.800 -0.107 0.000 1.090 6 F CA 0.628 58.546 58.000 -0.136 0.000 1.392 6 F CB -0.621 38.306 39.000 -0.121 0.000 1.053 6 F HN -0.223 nan 8.300 nan 0.000 0.521 7 L N 1.018 122.262 121.223 0.035 0.000 2.645 7 L HA 0.114 4.452 4.340 -0.002 0.000 0.235 7 L C -0.335 176.521 176.870 -0.025 0.000 1.150 7 L CA -0.160 54.681 54.840 0.001 0.000 0.911 7 L CB -0.764 41.282 42.059 -0.020 0.000 1.077 7 L HN -0.056 nan 8.230 nan 0.000 0.438 8 V N -3.795 116.097 119.914 -0.036 0.000 2.711 8 V HA 0.310 4.429 4.120 -0.002 0.000 0.304 8 V C -0.537 175.543 176.094 -0.023 0.000 1.097 8 V CA -0.943 61.334 62.300 -0.038 0.000 0.906 8 V CB 1.617 33.401 31.823 -0.065 0.000 1.015 8 V HN 0.081 nan 8.190 nan 0.000 0.427 9 Q N 2.589 122.386 119.800 -0.005 0.000 2.271 9 Q HA 0.304 4.643 4.340 -0.002 0.000 0.273 9 Q C 0.664 176.672 176.000 0.013 0.000 1.051 9 Q CA 0.350 56.157 55.803 0.008 0.000 0.901 9 Q CB 0.841 29.586 28.738 0.012 0.000 1.174 9 Q HN 1.178 nan 8.270 nan 0.000 0.385 10 S N 2.373 118.084 115.700 0.019 0.000 2.571 10 S HA -0.097 4.372 4.470 -0.002 0.000 0.298 10 S C 1.077 175.697 174.600 0.033 0.000 1.280 10 S CA 0.701 58.930 58.200 0.048 0.000 1.052 10 S CB 0.494 63.671 63.200 -0.037 0.000 0.799 10 S HN 0.816 nan 8.310 nan 0.000 0.501 11 T N 3.473 118.072 114.554 0.077 0.000 3.044 11 T HA 0.271 4.620 4.350 -0.002 0.000 0.250 11 T C 0.869 175.568 174.700 -0.001 0.000 1.081 11 T CA -0.244 61.883 62.100 0.045 0.000 1.040 11 T CB -0.290 68.624 68.868 0.077 0.000 0.962 11 T HN 0.507 nan 8.240 nan 0.000 0.506 12 L N 3.008 124.186 121.223 -0.075 0.000 2.483 12 L HA 0.261 4.600 4.340 -0.002 0.000 0.275 12 L C -1.694 175.144 176.870 -0.053 0.000 1.220 12 L CA -1.983 52.781 54.840 -0.128 0.000 0.833 12 L CB 0.124 42.000 42.059 -0.306 0.000 1.102 12 L HN 0.093 nan 8.230 nan 0.000 0.490 13 P HA -0.134 nan 4.420 nan 0.000 0.269 13 P C -0.370 176.987 177.300 0.095 0.000 1.211 13 P CA 0.110 63.195 63.100 -0.025 0.000 0.781 13 P CB 0.141 31.870 31.700 0.050 0.000 0.877 14 Y N -0.717 119.545 120.300 -0.063 0.000 4.396 14 Y HA -0.248 4.301 4.550 -0.002 0.000 0.216 14 Y C 1.508 177.421 175.900 0.022 0.000 1.080 14 Y CA 0.657 58.739 58.100 -0.029 0.000 1.811 14 Y CB -2.499 35.962 38.460 0.002 0.000 1.591 14 Y HN 0.244 nan 8.280 nan 0.000 0.626 15 L N -3.213 118.059 121.223 0.082 0.000 4.040 15 L HA -0.304 4.035 4.340 -0.002 0.000 0.410 15 L C 1.029 177.921 176.870 0.036 0.000 1.187 15 L CA 0.225 55.093 54.840 0.048 0.000 0.956 15 L CB -2.015 40.087 42.059 0.071 0.000 2.022 15 L HN 0.515 nan 8.230 nan 0.000 0.897 16 A N -0.346 122.507 122.820 0.055 0.000 2.561 16 A HA 0.382 4.701 4.320 -0.002 0.000 0.234 16 A C -1.791 175.664 177.584 -0.215 0.000 1.055 16 A CA -0.388 51.664 52.037 0.026 0.000 0.756 16 A CB -0.213 18.856 19.000 0.114 0.000 0.986 16 A HN 0.129 nan 8.150 nan 0.000 0.505 17 P HA 0.042 nan 4.420 nan 0.000 0.267 17 P C -0.317 176.495 177.300 -0.814 0.000 1.205 17 P CA 0.287 62.908 63.100 -0.798 0.000 0.765 17 P CB 0.258 31.045 31.700 -1.522 0.000 0.828 18 H N 3.800 122.533 119.070 -0.561 0.000 3.045 18 H HA 0.104 4.659 4.556 -0.002 0.000 0.254 18 H C 0.882 176.011 175.328 -0.333 0.000 1.747 18 H CA 0.232 56.073 56.048 -0.346 0.000 1.444 18 H CB -0.709 28.893 29.762 -0.266 0.000 1.778 18 H HN 0.504 nan 8.280 nan 0.000 0.544 19 F N 0.658 120.618 119.950 0.017 0.000 2.333 19 F HA -0.177 4.349 4.527 -0.002 0.000 0.300 19 F C 2.234 178.070 175.800 0.060 0.000 1.083 19 F CA 0.604 58.627 58.000 0.038 0.000 1.395 19 F CB 0.331 39.384 39.000 0.088 0.000 1.056 19 F HN 0.449 nan 8.300 nan 0.000 0.529 20 D N -0.126 120.406 120.400 0.220 0.000 2.347 20 D HA -0.141 4.498 4.640 -0.002 0.000 0.215 20 D C 1.328 177.680 176.300 0.086 0.000 0.976 20 D CA 0.825 54.916 54.000 0.152 0.000 0.884 20 D CB -0.360 40.529 40.800 0.148 0.000 0.915 20 D HN 0.413 nan 8.370 nan 0.000 0.526 21 Q N -0.105 119.722 119.800 0.045 0.000 2.322 21 Q HA 0.284 4.622 4.340 -0.002 0.000 0.250 21 Q C 0.655 176.681 176.000 0.044 0.000 0.853 21 Q CA -0.217 55.584 55.803 -0.002 0.000 0.951 21 Q CB 1.309 29.968 28.738 -0.132 0.000 1.114 21 Q HN 0.235 nan 8.270 nan 0.000 0.523 22 I N 1.896 122.466 120.570 -0.001 0.000 2.618 22 I HA 0.163 4.332 4.170 -0.002 0.000 0.284 22 I C -0.028 176.080 176.117 -0.016 0.000 1.146 22 I CA -0.291 61.011 61.300 0.005 0.000 1.425 22 I CB 0.658 38.625 38.000 -0.054 0.000 1.383 22 I HN 0.026 nan 8.210 nan 0.000 0.562 23 A N 4.911 127.567 122.820 -0.273 0.000 2.454 23 A HA 0.458 4.777 4.320 -0.002 0.000 0.302 23 A C 0.564 177.928 177.584 -0.367 0.000 1.079 23 A CA -0.788 51.019 52.037 -0.383 0.000 0.731 23 A CB 1.073 19.682 19.000 -0.651 0.000 1.299 23 A HN 0.667 nan 8.150 nan 0.000 0.413 24 N N 1.377 120.048 118.700 -0.050 0.000 2.091 24 N HA -0.234 4.505 4.740 -0.002 0.000 0.193 24 N C 1.560 177.136 175.510 0.109 0.000 1.021 24 N CA 2.235 55.383 53.050 0.163 0.000 0.862 24 N CB -0.609 37.973 38.487 0.158 0.000 1.018 24 N HN 0.914 nan 8.380 nan 0.000 0.429 25 H N -1.125 117.943 119.070 -0.004 0.000 2.518 25 H HA -0.019 4.536 4.556 -0.002 0.000 0.289 25 H C 1.075 176.464 175.328 0.101 0.000 1.051 25 H CA 1.022 57.084 56.048 0.023 0.000 1.280 25 H CB -0.729 29.014 29.762 -0.032 0.000 1.380 25 H HN 0.537 nan 8.280 nan 0.000 0.566 26 H N -0.414 118.483 119.070 -0.288 0.000 2.462 26 H HA -0.061 4.494 4.556 -0.002 0.000 0.292 26 H C 1.441 176.768 175.328 -0.003 0.000 1.049 26 H CA 0.817 56.781 56.048 -0.139 0.000 1.334 26 H CB 0.119 29.742 29.762 -0.231 0.000 1.404 26 H HN 0.269 nan 8.280 nan 0.000 0.544 27 Y N 0.794 121.262 120.300 0.280 0.000 2.070 27 Y HA -0.246 4.302 4.550 -0.002 0.000 0.279 27 Y C 2.803 178.797 175.900 0.156 0.000 1.134 27 Y CA 1.435 59.629 58.100 0.157 0.000 1.113 27 Y CB -0.445 38.136 38.460 0.202 0.000 0.981 27 Y HN 0.002 nan 8.280 nan 0.000 0.487 28 R N 0.320 121.064 120.500 0.407 0.000 2.094 28 R HA -0.166 4.173 4.340 -0.002 0.000 0.239 28 R C -0.865 175.558 176.300 0.206 0.000 1.137 28 R CA 2.063 58.362 56.100 0.332 0.000 0.943 28 R CB -1.663 28.775 30.300 0.229 0.000 0.850 28 R HN 0.211 nan 8.270 nan 0.000 0.433 29 P HA -0.078 nan 4.420 nan 0.000 0.215 29 P C 0.772 178.113 177.300 0.068 0.000 1.157 29 P CA 2.156 65.328 63.100 0.120 0.000 0.868 29 P CB -0.183 31.604 31.700 0.144 0.000 0.788 30 A N -1.549 121.305 122.820 0.057 0.000 1.968 30 A HA -0.152 4.167 4.320 -0.002 0.000 0.217 30 A C 2.076 179.588 177.584 -0.121 0.000 1.169 30 A CA 1.028 53.047 52.037 -0.029 0.000 0.638 30 A CB -1.803 17.165 19.000 -0.054 0.000 0.812 30 A HN 0.152 nan 8.150 nan 0.000 0.446 31 F N 1.059 120.825 119.950 -0.306 0.000 2.234 31 F HA -0.150 4.376 4.527 -0.002 0.000 0.299 31 F C 1.679 177.291 175.800 -0.314 0.000 1.087 31 F CA 1.866 59.571 58.000 -0.492 0.000 1.340 31 F CB 0.022 38.416 39.000 -1.009 0.000 1.031 31 F HN 0.217 nan 8.300 nan 0.000 0.500 32 D N 0.154 120.529 120.400 -0.042 0.000 2.103 32 D HA -0.157 4.482 4.640 -0.002 0.000 0.199 32 D C 2.203 178.421 176.300 -0.138 0.000 0.978 32 D CA 0.983 54.945 54.000 -0.063 0.000 0.829 32 D CB -0.434 40.385 40.800 0.033 0.000 0.981 32 D HN 0.304 nan 8.370 nan 0.000 0.464 33 E N 0.603 120.739 120.200 -0.107 0.000 2.097 33 E HA -0.141 4.208 4.350 -0.002 0.000 0.196 33 E C 2.108 178.612 176.600 -0.160 0.000 1.000 33 E CA 1.192 57.532 56.400 -0.102 0.000 0.804 33 E CB -0.413 29.245 29.700 -0.068 0.000 0.740 33 E HN 0.326 nan 8.360 nan 0.000 0.454 34 G N 0.644 109.297 108.800 -0.246 0.000 2.402 34 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.216 34 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.216 34 G C 1.568 176.256 174.900 -0.353 0.000 1.162 34 G CA 1.081 45.999 45.100 -0.303 0.000 0.777 34 G HN 0.206 nan 8.290 nan 0.000 0.539 35 M N 0.743 120.056 119.600 -0.478 0.000 2.065 35 M HA -0.076 4.403 4.480 -0.002 0.000 0.259 35 M C 2.515 178.685 176.300 -0.217 0.000 1.069 35 M CA 2.105 57.165 55.300 -0.399 0.000 1.110 35 M CB -0.862 31.509 32.600 -0.381 0.000 1.328 35 M HN 0.443 nan 8.290 nan 0.000 0.405 36 Q N -0.428 119.272 119.800 -0.167 0.000 1.985 36 Q HA -0.285 4.054 4.340 -0.002 0.000 0.207 36 Q C 2.066 178.006 176.000 -0.100 0.000 0.996 36 Q CA 2.475 58.215 55.803 -0.106 0.000 0.851 36 Q CB -0.374 28.316 28.738 -0.080 0.000 0.921 36 Q HN 0.710 nan 8.270 nan 0.000 0.418 37 Q N 0.174 119.909 119.800 -0.107 0.000 2.014 37 Q HA -0.254 4.085 4.340 -0.002 0.000 0.207 37 Q C 2.196 178.139 176.000 -0.094 0.000 0.993 37 Q CA 1.837 57.586 55.803 -0.089 0.000 0.850 37 Q CB -0.263 28.423 28.738 -0.087 0.000 0.916 37 Q HN 0.186 nan 8.270 nan 0.000 0.417 38 K N 1.301 121.626 120.400 -0.124 0.000 2.034 38 K HA -0.208 4.111 4.320 -0.002 0.000 0.214 38 K C 1.890 178.428 176.600 -0.104 0.000 1.051 38 K CA 1.781 57.995 56.287 -0.122 0.000 0.931 38 K CB -0.193 32.209 32.500 -0.164 0.000 0.715 38 K HN 0.064 nan 8.250 nan 0.000 0.446 39 R N -0.458 119.977 120.500 -0.108 0.000 2.120 39 R HA -0.066 4.273 4.340 -0.002 0.000 0.234 39 R C 2.310 178.573 176.300 -0.062 0.000 1.123 39 R CA 1.174 57.224 56.100 -0.084 0.000 0.975 39 R CB -0.389 29.863 30.300 -0.080 0.000 0.866 39 R HN 0.379 nan 8.270 nan 0.000 0.446 40 A N 1.208 123.992 122.820 -0.060 0.000 1.897 40 A HA -0.144 4.175 4.320 -0.002 0.000 0.215 40 A C 1.800 179.360 177.584 -0.041 0.000 1.181 40 A CA 1.061 53.071 52.037 -0.045 0.000 0.620 40 A CB -0.203 18.771 19.000 -0.043 0.000 0.821 40 A HN 0.284 nan 8.150 nan 0.000 0.443 41 E N -0.223 119.948 120.200 -0.047 0.000 2.204 41 E HA -0.136 4.213 4.350 -0.002 0.000 0.195 41 E C 1.702 178.279 176.600 -0.037 0.000 0.990 41 E CA 1.074 57.450 56.400 -0.041 0.000 0.821 41 E CB -0.249 29.423 29.700 -0.046 0.000 0.750 41 E HN 0.709 nan 8.360 nan 0.000 0.477 42 I N 0.822 121.367 120.570 -0.042 0.000 2.277 42 I HA -0.178 3.991 4.170 -0.002 0.000 0.243 42 I C 2.545 178.650 176.117 -0.021 0.000 1.094 42 I CA 0.637 61.917 61.300 -0.033 0.000 1.393 42 I CB -0.279 37.693 38.000 -0.047 0.000 1.078 42 I HN 0.071 nan 8.210 nan 0.000 0.417 43 A N 1.036 123.842 122.820 -0.023 0.000 1.917 43 A HA -0.282 4.037 4.320 -0.002 0.000 0.219 43 A C 2.515 180.091 177.584 -0.013 0.000 1.182 43 A CA 2.283 54.310 52.037 -0.015 0.000 0.633 43 A CB -0.925 18.064 19.000 -0.018 0.000 0.819 43 A HN 0.459 nan 8.150 nan 0.000 0.448 44 A N -0.245 122.565 122.820 -0.017 0.000 1.877 44 A HA -0.069 4.250 4.320 -0.002 0.000 0.216 44 A C 2.136 179.712 177.584 -0.013 0.000 1.186 44 A CA 1.549 53.578 52.037 -0.015 0.000 0.620 44 A CB -0.599 18.390 19.000 -0.017 0.000 0.822 44 A HN 0.519 nan 8.150 nan 0.000 0.443 45 I N -0.241 120.320 120.570 -0.015 0.000 2.252 45 I HA -0.206 3.962 4.170 -0.002 0.000 0.245 45 I C 2.494 178.604 176.117 -0.010 0.000 1.102 45 I CA 1.070 62.361 61.300 -0.015 0.000 1.385 45 I CB -0.220 37.769 38.000 -0.017 0.000 1.064 45 I HN 0.316 nan 8.210 nan 0.000 0.414 46 A N 0.097 122.915 122.820 -0.004 0.000 2.261 46 A HA 0.260 4.579 4.320 -0.002 0.000 0.208 46 A C 1.537 179.120 177.584 -0.001 0.000 1.223 46 A CA 0.640 52.679 52.037 0.003 0.000 0.833 46 A CB -0.425 18.584 19.000 0.015 0.000 0.830 46 A HN 0.507 nan 8.150 nan 0.000 0.483 47 L N -1.863 119.357 121.223 -0.005 0.000 3.689 47 L HA 0.147 4.486 4.340 -0.002 0.000 0.344 47 L C 0.349 177.215 176.870 -0.006 0.000 1.221 47 L CA -0.541 54.297 54.840 -0.005 0.000 1.171 47 L CB -0.189 41.867 42.059 -0.004 0.000 1.540 47 L HN 0.177 nan 8.230 nan 0.000 0.631 48 N N 1.791 120.487 118.700 -0.008 0.000 2.174 48 N HA -0.043 4.696 4.740 -0.002 0.000 0.215 48 N C -1.533 173.973 175.510 -0.006 0.000 1.322 48 N CA -0.262 52.783 53.050 -0.007 0.000 0.880 48 N CB 0.249 38.731 38.487 -0.009 0.000 1.090 48 N HN -0.152 nan 8.380 nan 0.000 0.436 49 P HA -0.273 nan 4.420 nan 0.000 0.250 49 P C 0.620 177.917 177.300 -0.005 0.000 0.775 49 P CA 2.300 65.398 63.100 -0.004 0.000 1.105 49 P CB 0.224 31.923 31.700 -0.003 0.000 0.784 50 Q N -5.329 114.468 119.800 -0.006 0.000 2.121 50 Q HA 0.190 4.529 4.340 -0.002 0.000 0.163 50 Q C 0.512 176.505 176.000 -0.011 0.000 0.695 50 Q CA 0.148 55.947 55.803 -0.008 0.000 0.854 50 Q CB -0.307 28.427 28.738 -0.007 0.000 1.190 50 Q HN 0.262 nan 8.270 nan 0.000 0.357 51 M N 4.123 123.718 119.600 -0.009 0.000 2.194 51 M HA 0.243 4.722 4.480 -0.002 0.000 0.347 51 M C -2.167 174.128 176.300 -0.008 0.000 1.439 51 M CA -1.186 54.108 55.300 -0.010 0.000 1.131 51 M CB 0.608 33.204 32.600 -0.007 0.000 1.733 51 M HN -0.154 nan 8.290 nan 0.000 0.467 52 P HA 0.180 nan 4.420 nan 0.000 0.272 52 P C -1.171 176.134 177.300 0.008 0.000 1.230 52 P CA -0.162 62.931 63.100 -0.011 0.000 0.788 52 P CB 0.688 32.371 31.700 -0.028 0.000 0.949 53 D N 0.263 120.679 120.400 0.027 0.000 2.694 53 D HA 0.029 4.668 4.640 -0.002 0.000 0.260 53 D C 0.174 176.546 176.300 0.119 0.000 1.250 53 D CA -0.490 53.553 54.000 0.072 0.000 0.763 53 D CB 0.754 41.592 40.800 0.063 0.000 1.311 53 D HN 0.120 nan 8.370 nan 0.000 0.420 54 F N 2.567 122.514 119.950 -0.005 0.000 2.025 54 F HA -0.244 4.282 4.527 -0.002 0.000 0.297 54 F C 2.095 177.904 175.800 0.015 0.000 1.171 54 F CA 2.588 60.591 58.000 0.005 0.000 1.204 54 F CB -0.964 38.047 39.000 0.018 0.000 0.948 54 F HN 0.565 nan 8.300 nan 0.000 0.512 55 N N -0.173 118.624 118.700 0.161 0.000 2.187 55 N HA -0.336 4.403 4.740 -0.002 0.000 0.194 55 N C 1.271 176.768 175.510 -0.021 0.000 1.002 55 N CA 1.514 54.593 53.050 0.048 0.000 0.882 55 N CB -0.563 37.985 38.487 0.102 0.000 1.003 55 N HN 0.550 nan 8.380 nan 0.000 0.443 56 N N -0.488 118.206 118.700 -0.009 0.000 2.416 56 N HA -0.077 4.662 4.740 -0.002 0.000 0.177 56 N C 1.376 176.858 175.510 -0.047 0.000 1.036 56 N CA 1.457 54.495 53.050 -0.021 0.000 0.901 56 N CB 0.223 38.708 38.487 -0.004 0.000 0.976 56 N HN 0.192 nan 8.380 nan 0.000 0.444 57 T N -1.765 112.741 114.554 -0.080 0.000 3.321 57 T HA 0.232 4.581 4.350 -0.002 0.000 0.251 57 T C 1.528 176.138 174.700 -0.149 0.000 0.999 57 T CA 0.120 62.167 62.100 -0.088 0.000 1.186 57 T CB -0.434 68.392 68.868 -0.070 0.000 1.163 57 T HN -0.049 nan 8.240 nan 0.000 0.399 58 I N 2.139 122.555 120.570 -0.256 0.000 2.076 58 I HA 0.004 4.172 4.170 -0.002 0.000 0.237 58 I C 2.531 178.349 176.117 -0.499 0.000 1.059 58 I CA 1.251 62.305 61.300 -0.410 0.000 1.317 58 I CB -1.589 35.988 38.000 -0.705 0.000 1.037 58 I HN 0.311 nan 8.210 nan 0.000 0.398 59 L N 1.190 122.005 121.223 -0.680 0.000 2.131 59 L HA -0.092 4.246 4.340 -0.002 0.000 0.210 59 L C 2.515 179.287 176.870 -0.164 0.000 1.092 59 L CA 1.943 56.553 54.840 -0.384 0.000 0.759 59 L CB -0.885 41.027 42.059 -0.245 0.000 0.903 59 L HN 0.223 nan 8.230 nan 0.000 0.435 60 A N -0.572 122.161 122.820 -0.145 0.000 1.877 60 A HA -0.169 4.150 4.320 -0.002 0.000 0.216 60 A C 2.236 179.785 177.584 -0.059 0.000 1.186 60 A CA 1.951 53.943 52.037 -0.074 0.000 0.620 60 A CB -0.850 18.114 19.000 -0.059 0.000 0.822 60 A HN 0.465 nan 8.150 nan 0.000 0.443 61 L N -0.903 120.282 121.223 -0.063 0.000 2.083 61 L HA -0.179 4.160 4.340 -0.002 0.000 0.209 61 L C 2.611 179.458 176.870 -0.037 0.000 1.083 61 L CA 1.698 56.520 54.840 -0.031 0.000 0.752 61 L CB -0.470 41.603 42.059 0.025 0.000 0.899 61 L HN 0.505 nan 8.230 nan 0.000 0.433 62 E N 0.376 120.541 120.200 -0.059 0.000 2.204 62 E HA -0.217 4.132 4.350 -0.002 0.000 0.194 62 E C 2.013 178.620 176.600 0.012 0.000 0.989 62 E CA 1.251 57.634 56.400 -0.029 0.000 0.824 62 E CB 0.075 29.737 29.700 -0.063 0.000 0.756 62 E HN 0.454 nan 8.360 nan 0.000 0.477 63 Q N -0.347 119.454 119.800 0.002 0.000 2.356 63 Q HA 0.150 4.489 4.340 -0.002 0.000 0.205 63 Q C 0.221 176.216 176.000 -0.008 0.000 0.901 63 Q CA 0.007 55.817 55.803 0.012 0.000 0.938 63 Q CB 0.607 29.354 28.738 0.015 0.000 1.081 63 Q HN 0.059 nan 8.270 nan 0.000 0.517 64 S N -0.070 115.616 115.700 -0.022 0.000 2.560 64 S HA 0.261 4.730 4.470 -0.002 0.000 0.284 64 S C 0.914 175.487 174.600 -0.044 0.000 1.327 64 S CA 0.861 59.038 58.200 -0.038 0.000 1.055 64 S CB 0.355 63.526 63.200 -0.049 0.000 0.868 64 S HN 0.616 nan 8.310 nan 0.000 0.506 65 G N 3.510 112.275 108.800 -0.058 0.000 2.272 65 G HA2 -0.246 3.713 3.960 -0.002 0.000 0.280 65 G HA3 -0.246 3.713 3.960 -0.002 0.000 0.280 65 G C 0.419 175.288 174.900 -0.051 0.000 1.067 65 G CA 0.646 45.703 45.100 -0.072 0.000 0.902 65 G HN 0.886 nan 8.290 nan 0.000 0.500 66 E N -0.654 119.526 120.200 -0.034 0.000 2.058 66 E HA -0.197 4.152 4.350 -0.002 0.000 0.194 66 E C 2.646 179.237 176.600 -0.015 0.000 0.997 66 E CA 1.791 58.183 56.400 -0.013 0.000 0.801 66 E CB -0.111 29.586 29.700 -0.004 0.000 0.746 66 E HN 0.762 nan 8.360 nan 0.000 0.450 67 L N 0.225 121.424 121.223 -0.039 0.000 2.044 67 L HA -0.037 4.301 4.340 -0.002 0.000 0.205 67 L C 2.423 179.239 176.870 -0.090 0.000 1.075 67 L CA 1.195 56.007 54.840 -0.047 0.000 0.747 67 L CB -1.798 40.224 42.059 -0.062 0.000 0.903 67 L HN 0.156 nan 8.230 nan 0.000 0.435 68 L N 0.266 121.401 121.223 -0.146 0.000 2.081 68 L HA -0.171 4.168 4.340 -0.002 0.000 0.212 68 L C 2.342 179.143 176.870 -0.115 0.000 1.080 68 L CA 2.257 56.964 54.840 -0.221 0.000 0.754 68 L CB -1.134 40.758 42.059 -0.278 0.000 0.893 68 L HN 0.418 nan 8.230 nan 0.000 0.433 69 T N -0.799 113.726 114.554 -0.047 0.000 2.821 69 T HA -0.165 4.184 4.350 -0.002 0.000 0.267 69 T C 2.003 176.744 174.700 0.069 0.000 1.046 69 T CA 1.339 63.453 62.100 0.024 0.000 1.139 69 T CB -0.199 68.686 68.868 0.028 0.000 0.871 69 T HN 0.363 nan 8.240 nan 0.000 0.454 70 R N 0.628 121.162 120.500 0.057 0.000 2.115 70 R HA -0.019 4.320 4.340 -0.002 0.000 0.226 70 R C 2.123 178.499 176.300 0.128 0.000 1.100 70 R CA 0.908 57.080 56.100 0.121 0.000 0.980 70 R CB -0.231 30.146 30.300 0.128 0.000 0.875 70 R HN 0.242 nan 8.270 nan 0.000 0.445 71 V N 0.592 120.479 119.914 -0.046 0.000 2.346 71 V HA -0.181 3.938 4.120 -0.002 0.000 0.244 71 V C 2.456 178.530 176.094 -0.034 0.000 1.037 71 V CA 2.143 64.262 62.300 -0.301 0.000 1.029 71 V CB -0.289 31.251 31.823 -0.472 0.000 0.663 71 V HN 0.608 nan 8.190 nan 0.000 0.454 72 T N -2.636 111.955 114.554 0.061 0.000 2.867 72 T HA -0.151 4.197 4.350 -0.002 0.000 0.268 72 T C 1.936 176.852 174.700 0.359 0.000 1.057 72 T CA 1.654 63.889 62.100 0.226 0.000 1.136 72 T CB -0.404 68.677 68.868 0.355 0.000 0.874 72 T HN 0.360 nan 8.240 nan 0.000 0.466 73 S N 0.858 116.740 115.700 0.304 0.000 2.402 73 S HA 0.009 4.478 4.470 -0.002 0.000 0.229 73 S C 2.121 176.979 174.600 0.429 0.000 1.021 73 S CA 0.906 59.319 58.200 0.355 0.000 0.974 73 S CB -0.375 63.013 63.200 0.312 0.000 0.800 73 S HN 0.432 nan 8.310 nan 0.000 0.484 74 V N 0.779 120.942 119.914 0.415 0.000 2.379 74 V HA -0.023 4.096 4.120 -0.002 0.000 0.243 74 V C 1.790 178.094 176.094 0.350 0.000 1.035 74 V CA 1.258 63.836 62.300 0.463 0.000 1.035 74 V CB -0.716 31.450 31.823 0.572 0.000 0.673 74 V HN 0.455 nan 8.190 nan 0.000 0.457 75 F N 1.084 121.103 119.950 0.115 0.000 2.043 75 F HA -0.244 4.282 4.527 -0.002 0.000 0.297 75 F C 2.084 177.725 175.800 -0.265 0.000 1.121 75 F CA 1.930 59.771 58.000 -0.265 0.000 1.199 75 F CB -0.582 38.100 39.000 -0.530 0.000 0.968 75 F HN 0.128 nan 8.300 nan 0.000 0.478 76 F N -0.061 119.875 119.950 -0.022 0.000 2.293 76 F HA -0.070 4.456 4.527 -0.002 0.000 0.300 76 F C 2.462 178.158 175.800 -0.173 0.000 1.086 76 F CA 0.633 58.538 58.000 -0.158 0.000 1.375 76 F CB -0.813 38.218 39.000 0.052 0.000 1.045 76 F HN 0.102 nan 8.300 nan 0.000 0.516 77 A N -0.133 122.731 122.820 0.074 0.000 1.930 77 A HA -0.156 4.163 4.320 -0.002 0.000 0.217 77 A C 2.195 179.663 177.584 -0.193 0.000 1.175 77 A CA 1.246 53.248 52.037 -0.060 0.000 0.627 77 A CB -0.399 18.542 19.000 -0.099 0.000 0.815 77 A HN 0.169 nan 8.150 nan 0.000 0.443 78 M N 0.276 119.740 119.600 -0.226 0.000 2.156 78 M HA -0.082 4.397 4.480 -0.002 0.000 0.264 78 M C 2.360 178.500 176.300 -0.265 0.000 1.067 78 M CA 2.068 57.216 55.300 -0.253 0.000 1.131 78 M CB -1.843 30.657 32.600 -0.166 0.000 1.368 78 M HN 0.681 nan 8.290 nan 0.000 0.416 79 T N -1.522 112.760 114.554 -0.454 0.000 2.962 79 T HA 0.082 4.431 4.350 -0.002 0.000 0.270 79 T C 1.792 176.369 174.700 -0.205 0.000 1.088 79 T CA 1.175 63.037 62.100 -0.396 0.000 1.127 79 T CB -0.326 68.197 68.868 -0.574 0.000 0.883 79 T HN 0.291 nan 8.240 nan 0.000 0.493 80 A N 0.963 123.683 122.820 -0.166 0.000 1.943 80 A HA 0.720 5.039 4.320 -0.002 0.000 0.213 80 A C 2.528 180.173 177.584 0.102 0.000 1.181 80 A CA 0.929 52.863 52.037 -0.172 0.000 0.653 80 A CB -0.724 18.043 19.000 -0.389 0.000 0.833 80 A HN 0.682 nan 8.150 nan 0.000 0.451 81 A N -2.726 120.207 122.820 0.189 0.000 2.085 81 A HA 0.253 4.572 4.320 -0.002 0.000 0.208 81 A C 0.955 178.707 177.584 0.282 0.000 1.191 81 A CA 0.690 52.910 52.037 0.306 0.000 0.799 81 A CB -0.052 19.079 19.000 0.218 0.000 0.877 81 A HN 0.587 nan 8.150 nan 0.000 0.473 82 H N -0.182 118.920 119.070 0.053 0.000 2.803 82 H HA 0.216 4.771 4.556 -0.002 0.000 0.219 82 H C -0.916 174.428 175.328 0.026 0.000 1.379 82 H CA 0.013 56.123 56.048 0.104 0.000 1.415 82 H CB 0.188 30.106 29.762 0.261 0.000 1.943 82 H HN 0.263 nan 8.280 nan 0.000 0.569 83 T N 1.211 115.728 114.554 -0.062 0.000 2.824 83 T HA 0.325 4.673 4.350 -0.002 0.000 0.277 83 T C -0.060 174.545 174.700 -0.159 0.000 0.975 83 T CA -0.462 61.552 62.100 -0.142 0.000 0.966 83 T CB 0.862 69.649 68.868 -0.135 0.000 1.054 83 T HN 0.835 nan 8.240 nan 0.000 0.533 84 N N 0.271 118.892 118.700 -0.132 0.000 2.825 84 N HA 0.219 4.957 4.740 -0.002 0.000 0.253 84 N C -0.512 174.951 175.510 -0.079 0.000 1.426 84 N CA -0.696 52.294 53.050 -0.100 0.000 0.851 84 N CB 0.983 39.415 38.487 -0.093 0.000 1.470 84 N HN 0.281 nan 8.380 nan 0.000 0.517 85 D N 0.466 120.830 120.400 -0.060 0.000 2.158 85 D HA -0.204 4.435 4.640 -0.002 0.000 0.197 85 D C 1.416 177.682 176.300 -0.056 0.000 0.995 85 D CA 1.760 55.727 54.000 -0.055 0.000 0.846 85 D CB 0.053 40.827 40.800 -0.042 0.000 0.941 85 D HN 0.656 nan 8.370 nan 0.000 0.456 86 E N 0.380 120.555 120.200 -0.041 0.000 2.028 86 E HA -0.064 4.285 4.350 -0.002 0.000 0.191 86 E C 2.114 178.684 176.600 -0.051 0.000 0.988 86 E CA 0.692 57.073 56.400 -0.032 0.000 0.799 86 E CB -0.377 29.329 29.700 0.011 0.000 0.755 86 E HN 0.237 nan 8.360 nan 0.000 0.447 87 L N 0.402 121.597 121.223 -0.047 0.000 2.079 87 L HA -0.256 4.083 4.340 -0.002 0.000 0.210 87 L C 2.724 179.528 176.870 -0.111 0.000 1.081 87 L CA 1.617 56.411 54.840 -0.076 0.000 0.752 87 L CB -0.575 41.366 42.059 -0.197 0.000 0.896 87 L HN 0.297 nan 8.230 nan 0.000 0.433 88 Q N -0.294 119.435 119.800 -0.119 0.000 2.061 88 Q HA -0.223 4.116 4.340 -0.002 0.000 0.204 88 Q C 2.406 178.346 176.000 -0.100 0.000 0.984 88 Q CA 1.536 57.276 55.803 -0.106 0.000 0.846 88 Q CB -0.118 28.565 28.738 -0.091 0.000 0.902 88 Q HN 0.466 nan 8.270 nan 0.000 0.421 89 R N 0.299 120.732 120.500 -0.111 0.000 2.091 89 R HA -0.121 4.218 4.340 -0.002 0.000 0.238 89 R C 2.377 178.541 176.300 -0.228 0.000 1.136 89 R CA 1.111 57.131 56.100 -0.134 0.000 0.959 89 R CB -0.358 29.873 30.300 -0.114 0.000 0.856 89 R HN 0.265 nan 8.270 nan 0.000 0.437 90 L N 0.272 121.298 121.223 -0.329 0.000 2.083 90 L HA -0.206 4.133 4.340 -0.002 0.000 0.209 90 L C 2.071 178.494 176.870 -0.745 0.000 1.083 90 L CA 1.402 55.764 54.840 -0.796 0.000 0.752 90 L CB -0.526 40.916 42.059 -1.028 0.000 0.899 90 L HN 0.224 nan 8.230 nan 0.000 0.433 91 D N 0.164 120.501 120.400 -0.106 0.000 2.116 91 D HA -0.295 4.343 4.640 -0.002 0.000 0.193 91 D C 2.111 178.455 176.300 0.072 0.000 0.998 91 D CA 1.663 55.764 54.000 0.169 0.000 0.836 91 D CB 0.139 41.001 40.800 0.104 0.000 0.951 91 D HN 0.308 nan 8.370 nan 0.000 0.449 92 E N -0.607 119.569 120.200 -0.041 0.000 2.072 92 E HA -0.230 4.119 4.350 -0.002 0.000 0.191 92 E C 2.189 178.761 176.600 -0.048 0.000 0.985 92 E CA 0.890 57.277 56.400 -0.023 0.000 0.801 92 E CB 0.023 29.696 29.700 -0.045 0.000 0.750 92 E HN 0.422 nan 8.360 nan 0.000 0.452 93 Q N -0.138 119.562 119.800 -0.167 0.000 1.993 93 Q HA -0.164 4.175 4.340 -0.002 0.000 0.202 93 Q C 2.182 178.161 176.000 -0.034 0.000 0.984 93 Q CA 1.986 57.705 55.803 -0.140 0.000 0.837 93 Q CB -0.324 28.256 28.738 -0.265 0.000 0.902 93 Q HN 0.411 nan 8.270 nan 0.000 0.423 94 F N 0.533 120.241 119.950 -0.404 0.000 2.161 94 F HA -0.251 4.275 4.527 -0.001 0.000 0.300 94 F C 2.608 178.398 175.800 -0.016 0.000 1.089 94 F CA 0.337 58.007 58.000 -0.550 0.000 1.282 94 F CB -0.109 38.356 39.000 -0.892 0.000 1.010 94 F HN 0.080 nan 8.300 nan 0.000 0.485 95 S N 0.237 116.111 115.700 0.290 0.000 2.368 95 S HA -0.154 4.314 4.470 -0.002 0.000 0.225 95 S C 2.231 176.920 174.600 0.148 0.000 1.030 95 S CA 0.959 59.306 58.200 0.245 0.000 0.999 95 S CB -0.446 62.863 63.200 0.182 0.000 0.844 95 S HN 0.393 nan 8.310 nan 0.000 0.459 96 A N 1.618 124.504 122.820 0.110 0.000 1.873 96 A HA -0.091 4.228 4.320 -0.002 0.000 0.215 96 A C 1.973 179.620 177.584 0.105 0.000 1.186 96 A CA 1.303 53.389 52.037 0.081 0.000 0.616 96 A CB -0.503 18.527 19.000 0.050 0.000 0.823 96 A HN 0.521 nan 8.150 nan 0.000 0.442 97 E N -0.262 120.024 120.200 0.143 0.000 2.208 97 E HA -0.036 4.313 4.350 -0.002 0.000 0.193 97 E C 1.804 178.534 176.600 0.217 0.000 0.988 97 E CA 0.631 57.145 56.400 0.189 0.000 0.828 97 E CB -0.181 29.682 29.700 0.272 0.000 0.763 97 E HN 0.588 nan 8.360 nan 0.000 0.478 98 L N 0.294 121.672 121.223 0.258 0.000 2.217 98 L HA -0.068 4.270 4.340 -0.002 0.000 0.211 98 L C 2.440 179.374 176.870 0.107 0.000 1.107 98 L CA 0.595 55.560 54.840 0.208 0.000 0.783 98 L CB -0.247 41.974 42.059 0.270 0.000 0.919 98 L HN 0.151 nan 8.230 nan 0.000 0.442 99 A N 0.042 122.922 122.820 0.098 0.000 1.897 99 A HA -0.185 4.134 4.320 -0.002 0.000 0.215 99 A C 2.124 179.740 177.584 0.054 0.000 1.181 99 A CA 1.300 53.378 52.037 0.067 0.000 0.620 99 A CB -0.321 18.715 19.000 0.061 0.000 0.821 99 A HN 0.401 nan 8.150 nan 0.000 0.443 100 E N -0.618 119.615 120.200 0.055 0.000 2.110 100 E HA -0.202 4.146 4.350 -0.002 0.000 0.193 100 E C 1.911 178.520 176.600 0.015 0.000 0.988 100 E CA 1.236 57.658 56.400 0.037 0.000 0.804 100 E CB -0.277 29.448 29.700 0.042 0.000 0.745 100 E HN 0.505 nan 8.360 nan 0.000 0.458 101 L N 0.894 122.123 121.223 0.010 0.000 2.083 101 L HA -0.109 4.230 4.340 -0.002 0.000 0.209 101 L C 2.172 178.996 176.870 -0.076 0.000 1.083 101 L CA 1.883 56.699 54.840 -0.039 0.000 0.752 101 L CB -0.437 41.590 42.059 -0.053 0.000 0.899 101 L HN 0.026 nan 8.230 nan 0.000 0.433 102 A N -0.757 122.041 122.820 -0.038 0.000 1.969 102 A HA -0.194 4.125 4.320 -0.002 0.000 0.218 102 A C 2.089 179.673 177.584 0.001 0.000 1.169 102 A CA 1.794 53.809 52.037 -0.037 0.000 0.635 102 A CB -0.898 18.156 19.000 0.090 0.000 0.810 102 A HN 0.684 nan 8.150 nan 0.000 0.445 103 N N -0.156 118.554 118.700 0.017 0.000 2.244 103 N HA -0.104 4.635 4.740 -0.002 0.000 0.183 103 N C 0.163 175.675 175.510 0.003 0.000 1.016 103 N CA 1.062 54.129 53.050 0.027 0.000 0.866 103 N CB -0.041 38.461 38.487 0.025 0.000 0.980 103 N HN 0.345 nan 8.380 nan 0.000 0.430 104 D N -0.167 120.216 120.400 -0.029 0.000 2.328 104 D HA 0.153 4.792 4.640 -0.002 0.000 0.221 104 D C 1.259 177.521 176.300 -0.063 0.000 1.072 104 D CA 0.241 54.222 54.000 -0.031 0.000 0.850 104 D CB 0.534 41.316 40.800 -0.030 0.000 0.922 104 D HN 0.377 nan 8.370 nan 0.000 0.516 105 I N -1.086 119.397 120.570 -0.145 0.000 3.443 105 I HA -0.069 4.100 4.170 -0.002 0.000 0.277 105 I C 1.300 177.299 176.117 -0.196 0.000 1.169 105 I CA 0.122 61.272 61.300 -0.251 0.000 1.419 105 I CB 0.264 37.923 38.000 -0.568 0.000 1.331 105 I HN -0.133 nan 8.210 nan 0.000 0.458 106 Y N 0.822 121.038 120.300 -0.141 0.000 2.420 106 Y HA 0.066 4.615 4.550 -0.002 0.000 0.292 106 Y C 1.809 177.713 175.900 0.005 0.000 1.119 106 Y CA 0.577 58.556 58.100 -0.202 0.000 1.229 106 Y CB -0.204 38.048 38.460 -0.347 0.000 1.026 106 Y HN 0.048 nan 8.280 nan 0.000 0.554 107 L N 0.183 121.484 121.223 0.131 0.000 2.629 107 L HA 0.073 4.412 4.340 -0.002 0.000 0.230 107 L C 0.551 177.472 176.870 0.085 0.000 1.151 107 L CA 0.250 55.135 54.840 0.076 0.000 0.924 107 L CB -0.532 41.550 42.059 0.038 0.000 1.137 107 L HN 0.120 nan 8.230 nan 0.000 0.457 108 N N 0.525 119.304 118.700 0.133 0.000 2.521 108 N HA 0.051 4.790 4.740 -0.002 0.000 0.236 108 N C 1.306 176.916 175.510 0.165 0.000 1.067 108 N CA 0.466 53.589 53.050 0.121 0.000 0.939 108 N CB 1.307 39.858 38.487 0.107 0.000 1.201 108 N HN 0.256 nan 8.380 nan 0.000 0.511 109 G N 3.462 112.338 108.800 0.128 0.000 2.599 109 G HA2 -0.358 3.601 3.960 -0.002 0.000 0.219 109 G HA3 -0.358 3.601 3.960 -0.002 0.000 0.219 109 G C 1.116 176.104 174.900 0.148 0.000 1.193 109 G CA 1.306 46.496 45.100 0.150 0.000 0.778 109 G HN 0.825 nan 8.290 nan 0.000 0.589 110 E N 0.211 120.465 120.200 0.090 0.000 2.209 110 E HA -0.104 4.245 4.350 -0.002 0.000 0.196 110 E C 2.388 179.016 176.600 0.046 0.000 0.993 110 E CA 1.071 57.504 56.400 0.054 0.000 0.819 110 E CB -0.305 29.415 29.700 0.034 0.000 0.745 110 E HN 0.435 nan 8.360 nan 0.000 0.477 111 L N 0.428 121.703 121.223 0.085 0.000 2.072 111 L HA -0.013 4.326 4.340 -0.002 0.000 0.205 111 L C 2.166 179.036 176.870 -0.000 0.000 1.079 111 L CA 1.393 56.276 54.840 0.072 0.000 0.752 111 L CB -0.619 41.535 42.059 0.158 0.000 0.906 111 L HN 0.114 nan 8.230 nan 0.000 0.436 112 F N 0.810 120.688 119.950 -0.120 0.000 2.075 112 F HA -0.117 4.409 4.527 -0.002 0.000 0.297 112 F C 2.396 178.083 175.800 -0.188 0.000 1.113 112 F CA 1.472 59.285 58.000 -0.311 0.000 1.218 112 F CB -1.019 37.908 39.000 -0.121 0.000 0.984 112 F HN 0.157 nan 8.300 nan 0.000 0.472 113 A N 0.947 123.665 122.820 -0.170 0.000 1.940 113 A HA -0.311 4.008 4.320 -0.002 0.000 0.221 113 A C 2.353 179.794 177.584 -0.237 0.000 1.190 113 A CA 2.457 54.364 52.037 -0.217 0.000 0.647 113 A CB -0.902 18.066 19.000 -0.054 0.000 0.821 113 A HN 0.552 nan 8.150 nan 0.000 0.457 114 R N -1.269 119.127 120.500 -0.173 0.000 2.092 114 R HA -0.000 4.339 4.340 -0.002 0.000 0.231 114 R C 2.012 178.205 176.300 -0.178 0.000 1.119 114 R CA 1.221 57.240 56.100 -0.135 0.000 0.970 114 R CB -0.533 29.717 30.300 -0.084 0.000 0.864 114 R HN 0.384 nan 8.270 nan 0.000 0.440 115 V N 1.502 121.239 119.914 -0.295 0.000 2.379 115 V HA -0.208 3.911 4.120 -0.002 0.000 0.245 115 V C 1.798 177.743 176.094 -0.249 0.000 1.044 115 V CA 2.097 64.215 62.300 -0.303 0.000 1.036 115 V CB -0.345 31.124 31.823 -0.590 0.000 0.664 115 V HN 0.276 nan 8.190 nan 0.000 0.453 116 D N -0.115 119.971 120.400 -0.523 0.000 2.219 116 D HA -0.086 4.553 4.640 -0.002 0.000 0.205 116 D C 2.050 178.293 176.300 -0.095 0.000 0.970 116 D CA 1.231 55.007 54.000 -0.373 0.000 0.851 116 D CB -0.005 40.306 40.800 -0.815 0.000 0.943 116 D HN 0.387 nan 8.370 nan 0.000 0.488 117 A N -0.201 122.541 122.820 -0.129 0.000 1.855 117 A HA -0.095 4.224 4.320 -0.002 0.000 0.215 117 A C 2.453 180.019 177.584 -0.031 0.000 1.191 117 A CA 1.561 53.559 52.037 -0.064 0.000 0.613 117 A CB -0.847 18.112 19.000 -0.068 0.000 0.829 117 A HN 0.185 nan 8.150 nan 0.000 0.442 118 V N -2.064 117.844 119.914 -0.010 0.000 2.407 118 V HA -0.259 3.860 4.120 -0.002 0.000 0.248 118 V C 2.185 178.294 176.094 0.025 0.000 1.055 118 V CA 1.840 64.157 62.300 0.028 0.000 1.049 118 V CB -1.041 30.831 31.823 0.082 0.000 0.662 118 V HN 0.839 nan 8.190 nan 0.000 0.455 119 W N 0.930 122.139 121.300 -0.152 0.000 2.335 119 W HA -0.236 4.423 4.660 -0.002 0.000 0.311 119 W C 2.517 178.912 176.519 -0.207 0.000 1.213 119 W CA 2.016 59.227 57.345 -0.224 0.000 1.274 119 W CB -0.300 28.860 29.460 -0.500 0.000 1.148 119 W HN 0.159 nan 8.180 nan 0.000 0.498 120 Q N 0.305 119.976 119.800 -0.215 0.000 2.077 120 Q HA -0.213 4.126 4.340 -0.002 0.000 0.206 120 Q C 2.015 177.802 176.000 -0.355 0.000 0.989 120 Q CA 2.590 58.183 55.803 -0.349 0.000 0.853 120 Q CB -0.445 28.227 28.738 -0.110 0.000 0.907 120 Q HN 0.513 nan 8.270 nan 0.000 0.418 121 R N 0.173 120.539 120.500 -0.224 0.000 2.586 121 R HA 0.190 4.529 4.340 -0.002 0.000 0.306 121 R C 1.022 177.215 176.300 -0.178 0.000 1.079 121 R CA -0.040 55.952 56.100 -0.180 0.000 1.083 121 R CB -0.050 30.186 30.300 -0.108 0.000 1.306 121 R HN 0.159 nan 8.270 nan 0.000 0.567 122 R N 0.349 120.701 120.500 -0.247 0.000 2.249 122 R HA -0.048 4.291 4.340 -0.002 0.000 0.230 122 R C 0.545 176.738 176.300 -0.178 0.000 1.121 122 R CA 1.058 57.043 56.100 -0.191 0.000 0.997 122 R CB -0.040 30.118 30.300 -0.236 0.000 0.867 122 R HN 0.219 nan 8.270 nan 0.000 0.465 123 E N 0.592 120.676 120.200 -0.193 0.000 2.415 123 E HA 0.077 4.425 4.350 -0.002 0.000 0.197 123 E C 1.507 178.034 176.600 -0.121 0.000 1.007 123 E CA 0.495 56.805 56.400 -0.150 0.000 0.890 123 E CB 0.535 30.143 29.700 -0.154 0.000 0.891 123 E HN 0.344 nan 8.360 nan 0.000 0.496 124 S N 1.125 116.753 115.700 -0.120 0.000 2.388 124 S HA 0.056 4.525 4.470 -0.002 0.000 0.223 124 S C 2.040 176.591 174.600 -0.083 0.000 1.034 124 S CA 0.193 58.338 58.200 -0.093 0.000 0.963 124 S CB -0.108 63.039 63.200 -0.087 0.000 0.827 124 S HN 0.185 nan 8.310 nan 0.000 0.481 125 L N 1.542 122.712 121.223 -0.088 0.000 2.456 125 L HA -0.094 4.245 4.340 -0.002 0.000 0.225 125 L C 1.516 178.330 176.870 -0.093 0.000 1.142 125 L CA 0.696 55.488 54.840 -0.080 0.000 0.796 125 L CB -1.526 40.483 42.059 -0.083 0.000 0.920 125 L HN 0.532 nan 8.230 nan 0.000 0.446 126 G N 0.919 109.659 108.800 -0.100 0.000 2.314 126 G HA2 -0.275 3.683 3.960 -0.002 0.000 0.292 126 G HA3 -0.275 3.683 3.960 -0.002 0.000 0.292 126 G C -0.094 174.729 174.900 -0.129 0.000 1.059 126 G CA -0.081 44.963 45.100 -0.094 0.000 0.982 126 G HN 0.273 nan 8.290 nan 0.000 0.505 127 L N 0.819 121.932 121.223 -0.183 0.000 2.343 127 L HA 0.455 4.794 4.340 -0.002 0.000 0.275 127 L C 1.003 177.760 176.870 -0.189 0.000 1.056 127 L CA -1.162 53.509 54.840 -0.282 0.000 0.804 127 L CB 0.876 42.650 42.059 -0.476 0.000 1.203 127 L HN 0.466 nan 8.230 nan 0.000 0.440 128 D N 0.554 120.859 120.400 -0.158 0.000 2.384 128 D HA -0.008 4.631 4.640 -0.002 0.000 0.244 128 D C 0.868 177.134 176.300 -0.058 0.000 1.251 128 D CA -0.402 53.549 54.000 -0.082 0.000 0.961 128 D CB 1.029 41.801 40.800 -0.047 0.000 1.116 128 D HN 0.428 nan 8.370 nan 0.000 0.484 129 S N -0.540 115.146 115.700 -0.022 0.000 2.392 129 S HA -0.302 4.167 4.470 -0.002 0.000 0.225 129 S C 1.659 176.285 174.600 0.042 0.000 1.041 129 S CA 1.982 60.183 58.200 0.002 0.000 1.100 129 S CB -0.468 62.737 63.200 0.008 0.000 1.029 129 S HN 0.659 nan 8.310 nan 0.000 0.424 130 E N -0.171 120.079 120.200 0.083 0.000 2.153 130 E HA -0.111 4.238 4.350 -0.002 0.000 0.194 130 E C 2.000 178.763 176.600 0.270 0.000 0.988 130 E CA 1.298 57.801 56.400 0.172 0.000 0.811 130 E CB -0.143 29.676 29.700 0.197 0.000 0.746 130 E HN 0.542 nan 8.360 nan 0.000 0.466 131 S N 0.492 116.335 115.700 0.237 0.000 2.383 131 S HA -0.114 4.355 4.470 -0.002 0.000 0.227 131 S C 1.933 176.556 174.600 0.039 0.000 1.026 131 S CA 0.902 59.220 58.200 0.197 0.000 0.981 131 S CB -0.136 62.941 63.200 -0.206 0.000 0.818 131 S HN 0.308 nan 8.310 nan 0.000 0.472 132 I N 1.080 121.637 120.570 -0.021 0.000 2.286 132 I HA -0.125 4.044 4.170 -0.002 0.000 0.245 132 I C 2.729 178.895 176.117 0.081 0.000 1.104 132 I CA 0.939 62.238 61.300 -0.002 0.000 1.397 132 I CB -0.220 37.757 38.000 -0.038 0.000 1.072 132 I HN 0.165 nan 8.210 nan 0.000 0.417 133 R N 1.500 122.050 120.500 0.083 0.000 2.096 133 R HA -0.221 4.118 4.340 -0.002 0.000 0.240 133 R C 2.157 178.521 176.300 0.106 0.000 1.139 133 R CA 1.783 57.939 56.100 0.094 0.000 0.952 133 R CB -1.032 29.320 30.300 0.087 0.000 0.854 133 R HN 0.214 nan 8.270 nan 0.000 0.436 134 L N -0.037 121.242 121.223 0.093 0.000 2.043 134 L HA -0.156 4.183 4.340 -0.002 0.000 0.212 134 L C 2.105 179.030 176.870 0.091 0.000 1.075 134 L CA 1.656 56.499 54.840 0.004 0.000 0.752 134 L CB -0.447 41.434 42.059 -0.296 0.000 0.891 134 L HN 0.132 nan 8.230 nan 0.000 0.432 135 V N -0.588 119.449 119.914 0.205 0.000 2.287 135 V HA -0.318 3.800 4.120 -0.002 0.000 0.248 135 V C 2.414 178.701 176.094 0.321 0.000 1.053 135 V CA 2.183 64.649 62.300 0.277 0.000 1.027 135 V CB -0.920 31.080 31.823 0.295 0.000 0.646 135 V HN 0.508 nan 8.190 nan 0.000 0.447 136 E N 0.158 120.537 120.200 0.298 0.000 2.072 136 E HA -0.148 4.201 4.350 -0.002 0.000 0.191 136 E C 2.273 179.014 176.600 0.235 0.000 0.985 136 E CA 1.395 58.002 56.400 0.345 0.000 0.801 136 E CB -0.308 29.562 29.700 0.284 0.000 0.750 136 E HN 0.444 nan 8.360 nan 0.000 0.452 137 V N 1.724 121.733 119.914 0.157 0.000 2.255 137 V HA -0.291 3.828 4.120 -0.002 0.000 0.247 137 V C 2.275 178.439 176.094 0.117 0.000 1.051 137 V CA 1.733 64.092 62.300 0.099 0.000 1.018 137 V CB -0.464 31.395 31.823 0.059 0.000 0.641 137 V HN 0.281 nan 8.190 nan 0.000 0.445 138 I N -0.657 120.013 120.570 0.166 0.000 2.179 138 I HA -0.282 3.887 4.170 -0.002 0.000 0.242 138 I C 2.586 178.946 176.117 0.405 0.000 1.088 138 I CA 2.093 63.553 61.300 0.267 0.000 1.357 138 I CB -0.842 37.319 38.000 0.269 0.000 1.051 138 I HN 0.465 nan 8.210 nan 0.000 0.409 139 H N 1.427 120.620 119.070 0.205 0.000 2.319 139 H HA -0.252 4.303 4.556 -0.002 0.000 0.299 139 H C 2.238 177.610 175.328 0.073 0.000 1.092 139 H CA 2.216 58.317 56.048 0.089 0.000 1.302 139 H CB 0.000 29.580 29.762 -0.303 0.000 1.373 139 H HN 0.411 nan 8.280 nan 0.000 0.497 140 Q N 0.534 120.346 119.800 0.020 0.000 2.135 140 Q HA -0.150 4.189 4.340 -0.002 0.000 0.204 140 Q C 2.533 178.472 176.000 -0.102 0.000 0.981 140 Q CA 1.243 57.009 55.803 -0.061 0.000 0.856 140 Q CB 0.079 28.824 28.738 0.013 0.000 0.902 140 Q HN 0.464 nan 8.270 nan 0.000 0.425 141 R N -0.692 119.762 120.500 -0.075 0.000 2.073 141 R HA -0.139 4.200 4.340 -0.002 0.000 0.234 141 R C 2.174 178.222 176.300 -0.421 0.000 1.134 141 R CA 1.661 57.601 56.100 -0.266 0.000 0.952 141 R CB -0.395 29.737 30.300 -0.280 0.000 0.850 141 R HN 0.259 nan 8.270 nan 0.000 0.433 142 F N 0.490 120.255 119.950 -0.309 0.000 2.069 142 F HA -0.261 4.265 4.527 -0.002 0.000 0.298 142 F C 2.503 178.021 175.800 -0.470 0.000 1.113 142 F CA 1.402 59.224 58.000 -0.298 0.000 1.214 142 F CB -0.703 38.267 39.000 -0.049 0.000 0.978 142 F HN -0.209 nan 8.300 nan 0.000 0.474 143 V N 0.384 120.127 119.914 -0.284 0.000 2.255 143 V HA -0.324 3.795 4.120 -0.002 0.000 0.247 143 V C 2.357 178.346 176.094 -0.175 0.000 1.051 143 V CA 1.909 64.009 62.300 -0.333 0.000 1.018 143 V CB -0.805 30.830 31.823 -0.315 0.000 0.641 143 V HN 0.324 nan 8.190 nan 0.000 0.445 144 L N -0.003 121.159 121.223 -0.102 0.000 2.201 144 L HA -0.083 4.256 4.340 -0.002 0.000 0.212 144 L C 2.555 179.487 176.870 0.103 0.000 1.105 144 L CA 1.264 56.150 54.840 0.076 0.000 0.775 144 L CB -0.685 41.395 42.059 0.035 0.000 0.913 144 L HN 0.376 nan 8.230 nan 0.000 0.440 145 A N -0.343 122.388 122.820 -0.148 0.000 2.168 145 A HA 0.176 4.495 4.320 -0.002 0.000 0.215 145 A C 1.691 179.210 177.584 -0.110 0.000 1.152 145 A CA 0.998 52.931 52.037 -0.173 0.000 0.716 145 A CB -0.391 18.255 19.000 -0.591 0.000 0.794 145 A HN 0.537 nan 8.150 nan 0.000 0.465 146 G N -2.400 106.310 108.800 -0.151 0.000 2.135 146 G HA2 0.072 4.031 3.960 -0.002 0.000 0.183 146 G HA3 0.072 4.031 3.960 -0.002 0.000 0.183 146 G C 0.988 175.760 174.900 -0.213 0.000 1.004 146 G CA 0.791 45.789 45.100 -0.170 0.000 0.677 146 G HN 1.268 nan 8.290 nan 0.000 0.512 147 A N 0.250 122.871 122.820 -0.331 0.000 1.940 147 A HA 0.007 4.326 4.320 -0.002 0.000 0.219 147 A C 2.047 179.334 177.584 -0.496 0.000 1.176 147 A CA 2.084 53.835 52.037 -0.475 0.000 0.631 147 A CB -0.320 18.085 19.000 -0.991 0.000 0.814 147 A HN 0.535 nan 8.150 nan 0.000 0.446 148 K N -1.013 119.090 120.400 -0.494 0.000 2.551 148 K HA 0.177 4.496 4.320 -0.002 0.000 0.192 148 K C -0.187 176.339 176.600 -0.122 0.000 1.027 148 K CA -0.343 55.813 56.287 -0.218 0.000 1.059 148 K CB -0.268 32.149 32.500 -0.139 0.000 0.831 148 K HN 0.346 nan 8.250 nan 0.000 0.508 149 L N 1.069 122.210 121.223 -0.136 0.000 2.436 149 L HA 0.155 4.494 4.340 -0.002 0.000 0.265 149 L C -0.032 176.802 176.870 -0.059 0.000 1.168 149 L CA 0.048 54.829 54.840 -0.099 0.000 0.815 149 L CB 0.609 42.602 42.059 -0.109 0.000 1.109 149 L HN 0.059 nan 8.230 nan 0.000 0.462 150 A N 2.732 125.521 122.820 -0.051 0.000 2.407 150 A HA 0.224 4.543 4.320 -0.002 0.000 0.248 150 A C 0.944 178.512 177.584 -0.027 0.000 1.082 150 A CA -0.072 51.945 52.037 -0.032 0.000 0.785 150 A CB 0.402 19.383 19.000 -0.032 0.000 1.020 150 A HN 0.878 nan 8.150 nan 0.000 0.489 151 Q N 2.051 121.842 119.800 -0.014 0.000 2.045 151 Q HA -0.300 4.039 4.340 -0.002 0.000 0.215 151 Q C 2.101 178.092 176.000 -0.015 0.000 1.026 151 Q CA 3.572 59.369 55.803 -0.009 0.000 0.885 151 Q CB -0.608 28.128 28.738 -0.004 0.000 0.984 151 Q HN 1.001 nan 8.270 nan 0.000 0.414 152 A N -0.080 122.730 122.820 -0.017 0.000 1.978 152 A HA -0.213 4.106 4.320 -0.002 0.000 0.220 152 A C 1.751 179.318 177.584 -0.027 0.000 1.170 152 A CA 1.919 53.945 52.037 -0.019 0.000 0.636 152 A CB -0.615 18.373 19.000 -0.019 0.000 0.810 152 A HN 0.528 nan 8.150 nan 0.000 0.448 153 D N -0.439 119.939 120.400 -0.036 0.000 2.137 153 D HA -0.050 4.589 4.640 -0.002 0.000 0.202 153 D C 1.849 178.120 176.300 -0.048 0.000 0.970 153 D CA 1.011 54.982 54.000 -0.049 0.000 0.837 153 D CB -0.268 40.492 40.800 -0.066 0.000 0.981 153 D HN 0.448 nan 8.370 nan 0.000 0.475 154 K N 0.937 121.312 120.400 -0.040 0.000 2.152 154 K HA -0.081 4.238 4.320 -0.002 0.000 0.206 154 K C 2.076 178.664 176.600 -0.020 0.000 1.048 154 K CA 1.032 57.300 56.287 -0.032 0.000 0.933 154 K CB 0.015 32.503 32.500 -0.019 0.000 0.721 154 K HN 0.007 nan 8.250 nan 0.000 0.447 155 A N 2.015 124.825 122.820 -0.017 0.000 1.845 155 A HA -0.199 4.120 4.320 -0.002 0.000 0.215 155 A C 1.891 179.468 177.584 -0.013 0.000 1.195 155 A CA 1.579 53.610 52.037 -0.011 0.000 0.616 155 A CB -0.322 18.672 19.000 -0.010 0.000 0.832 155 A HN 0.187 nan 8.150 nan 0.000 0.443 156 K N -0.802 119.586 120.400 -0.019 0.000 2.147 156 K HA -0.068 4.251 4.320 -0.002 0.000 0.205 156 K C 1.833 178.420 176.600 -0.021 0.000 1.049 156 K CA 1.238 57.513 56.287 -0.019 0.000 0.936 156 K CB -0.321 32.164 32.500 -0.025 0.000 0.722 156 K HN 0.372 nan 8.250 nan 0.000 0.446 157 L N 1.823 123.028 121.223 -0.030 0.000 2.141 157 L HA -0.113 4.226 4.340 -0.002 0.000 0.209 157 L C 1.843 178.710 176.870 -0.006 0.000 1.094 157 L CA 1.685 56.505 54.840 -0.033 0.000 0.763 157 L CB -0.115 41.908 42.059 -0.059 0.000 0.908 157 L HN -0.026 nan 8.230 nan 0.000 0.437 158 K N -1.250 119.149 120.400 -0.002 0.000 2.097 158 K HA -0.117 4.202 4.320 -0.002 0.000 0.206 158 K C 1.846 178.455 176.600 0.015 0.000 1.049 158 K CA 1.585 57.879 56.287 0.011 0.000 0.933 158 K CB -0.138 32.368 32.500 0.009 0.000 0.717 158 K HN 0.254 nan 8.250 nan 0.000 0.442 159 V N 1.340 121.258 119.914 0.008 0.000 2.719 159 V HA -0.144 3.975 4.120 -0.002 0.000 0.252 159 V C 1.962 178.062 176.094 0.011 0.000 1.065 159 V CA 1.183 63.488 62.300 0.009 0.000 1.086 159 V CB -0.282 31.543 31.823 0.003 0.000 0.700 159 V HN 0.268 nan 8.190 nan 0.000 0.467 160 L N 0.004 121.234 121.223 0.012 0.000 2.131 160 L HA -0.068 4.271 4.340 -0.002 0.000 0.206 160 L C 2.373 179.264 176.870 0.035 0.000 1.087 160 L CA 1.049 55.900 54.840 0.019 0.000 0.767 160 L CB -0.575 41.495 42.059 0.018 0.000 0.917 160 L HN 0.351 nan 8.230 nan 0.000 0.441 161 N N -0.236 118.491 118.700 0.044 0.000 2.084 161 N HA -0.160 4.579 4.740 -0.002 0.000 0.190 161 N C 1.971 177.507 175.510 0.043 0.000 1.030 161 N CA 2.047 55.132 53.050 0.058 0.000 0.849 161 N CB -0.705 37.819 38.487 0.063 0.000 1.012 161 N HN 0.399 nan 8.380 nan 0.000 0.423 162 T N -1.448 113.127 114.554 0.034 0.000 2.821 162 T HA -0.072 4.277 4.350 -0.002 0.000 0.267 162 T C 1.716 176.430 174.700 0.023 0.000 1.046 162 T CA 1.111 63.230 62.100 0.032 0.000 1.139 162 T CB -0.221 68.664 68.868 0.028 0.000 0.871 162 T HN 0.283 nan 8.240 nan 0.000 0.454 163 E N 1.364 121.574 120.200 0.016 0.000 2.106 163 E HA -0.027 4.322 4.350 -0.002 0.000 0.192 163 E C 2.453 179.054 176.600 0.002 0.000 0.984 163 E CA 0.854 57.257 56.400 0.006 0.000 0.806 163 E CB -0.395 29.305 29.700 -0.000 0.000 0.750 163 E HN 0.639 nan 8.360 nan 0.000 0.458 164 A N 1.329 124.153 122.820 0.008 0.000 1.877 164 A HA -0.105 4.214 4.320 -0.002 0.000 0.216 164 A C 2.408 179.989 177.584 -0.005 0.000 1.186 164 A CA 1.796 53.832 52.037 -0.002 0.000 0.620 164 A CB -0.791 18.219 19.000 0.017 0.000 0.822 164 A HN 0.399 nan 8.150 nan 0.000 0.443 165 A N -1.163 121.662 122.820 0.009 0.000 1.933 165 A HA -0.081 4.238 4.320 -0.002 0.000 0.218 165 A C 2.279 179.874 177.584 0.018 0.000 1.175 165 A CA 2.280 54.323 52.037 0.010 0.000 0.628 165 A CB -1.159 17.859 19.000 0.029 0.000 0.814 165 A HN 0.434 nan 8.150 nan 0.000 0.444 166 T N 0.231 114.795 114.554 0.017 0.000 2.777 166 T HA -0.017 4.332 4.350 -0.002 0.000 0.266 166 T C 1.755 176.461 174.700 0.009 0.000 1.040 166 T CA 1.277 63.385 62.100 0.014 0.000 1.141 166 T CB -0.297 68.575 68.868 0.006 0.000 0.868 166 T HN 0.366 nan 8.240 nan 0.000 0.444 167 L N 0.708 121.932 121.223 0.001 0.000 2.201 167 L HA -0.072 4.267 4.340 -0.002 0.000 0.212 167 L C 2.770 179.660 176.870 0.034 0.000 1.105 167 L CA 1.008 55.849 54.840 0.001 0.000 0.775 167 L CB -0.729 41.312 42.059 -0.029 0.000 0.913 167 L HN 0.291 nan 8.230 nan 0.000 0.440 168 T N -1.768 112.798 114.554 0.021 0.000 2.857 168 T HA -0.150 4.199 4.350 -0.002 0.000 0.266 168 T C 2.130 176.880 174.700 0.083 0.000 1.048 168 T CA 1.521 63.643 62.100 0.036 0.000 1.139 168 T CB 0.045 68.897 68.868 -0.027 0.000 0.874 168 T HN 0.211 nan 8.240 nan 0.000 0.455 169 S N 0.648 116.380 115.700 0.053 0.000 2.387 169 S HA -0.077 4.392 4.470 -0.002 0.000 0.226 169 S C 2.132 176.756 174.600 0.041 0.000 1.026 169 S CA 0.960 59.192 58.200 0.053 0.000 0.972 169 S CB -0.226 63.006 63.200 0.054 0.000 0.814 169 S HN 0.487 nan 8.310 nan 0.000 0.477 170 Q N -0.719 119.103 119.800 0.037 0.000 2.119 170 Q HA -0.071 4.267 4.340 -0.002 0.000 0.201 170 Q C 1.817 177.821 176.000 0.008 0.000 0.972 170 Q CA 1.440 57.247 55.803 0.008 0.000 0.847 170 Q CB -0.265 28.472 28.738 -0.003 0.000 0.903 170 Q HN 0.707 nan 8.270 nan 0.000 0.433 171 F N 2.148 122.063 119.950 -0.059 0.000 2.102 171 F HA -0.182 4.344 4.527 -0.001 0.000 0.298 171 F C 1.731 177.507 175.800 -0.040 0.000 1.105 171 F CA 1.294 59.259 58.000 -0.058 0.000 1.239 171 F CB -0.161 38.809 39.000 -0.052 0.000 0.991 171 F HN 0.020 nan 8.300 nan 0.000 0.474 172 N N 0.501 119.278 118.700 0.129 0.000 2.223 172 N HA -0.165 4.573 4.740 -0.002 0.000 0.185 172 N C 1.760 177.205 175.510 -0.109 0.000 1.016 172 N CA 1.437 54.495 53.050 0.013 0.000 0.863 172 N CB -0.427 38.103 38.487 0.072 0.000 0.983 172 N HN 0.572 nan 8.380 nan 0.000 0.429 173 Q N 0.433 120.175 119.800 -0.097 0.000 2.049 173 Q HA 0.040 4.379 4.340 -0.002 0.000 0.198 173 Q C 2.044 177.959 176.000 -0.142 0.000 0.971 173 Q CA 0.891 56.633 55.803 -0.102 0.000 0.833 173 Q CB -0.052 28.640 28.738 -0.076 0.000 0.896 173 Q HN 0.268 nan 8.270 nan 0.000 0.434 174 R N 0.227 120.613 120.500 -0.190 0.000 2.120 174 R HA -0.129 4.210 4.340 -0.002 0.000 0.234 174 R C 2.188 178.333 176.300 -0.258 0.000 1.123 174 R CA 0.826 56.798 56.100 -0.212 0.000 0.975 174 R CB -0.218 29.945 30.300 -0.229 0.000 0.866 174 R HN 0.148 nan 8.270 nan 0.000 0.446 175 L N 0.502 121.500 121.223 -0.375 0.000 2.072 175 L HA -0.082 4.257 4.340 -0.002 0.000 0.205 175 L C 1.900 178.675 176.870 -0.158 0.000 1.079 175 L CA 1.403 56.052 54.840 -0.317 0.000 0.752 175 L CB -0.510 41.306 42.059 -0.405 0.000 0.906 175 L HN 0.110 nan 8.230 nan 0.000 0.436 176 L N 0.078 121.224 121.223 -0.129 0.000 2.012 176 L HA -0.131 4.207 4.340 -0.002 0.000 0.210 176 L C 2.528 179.357 176.870 -0.070 0.000 1.073 176 L CA 2.199 56.994 54.840 -0.075 0.000 0.748 176 L CB -1.175 40.845 42.059 -0.064 0.000 0.891 176 L HN 0.295 nan 8.230 nan 0.000 0.431 177 A N -0.664 122.105 122.820 -0.085 0.000 1.902 177 A HA -0.123 4.196 4.320 -0.002 0.000 0.217 177 A C 2.445 179.987 177.584 -0.070 0.000 1.181 177 A CA 1.913 53.907 52.037 -0.072 0.000 0.623 177 A CB -1.181 17.773 19.000 -0.077 0.000 0.818 177 A HN 0.586 nan 8.150 nan 0.000 0.443 178 A N 0.115 122.882 122.820 -0.090 0.000 1.902 178 A HA -0.196 4.123 4.320 -0.002 0.000 0.217 178 A C 2.014 179.557 177.584 -0.068 0.000 1.181 178 A CA 1.748 53.736 52.037 -0.081 0.000 0.623 178 A CB -0.596 18.344 19.000 -0.099 0.000 0.818 178 A HN 0.557 nan 8.150 nan 0.000 0.443 179 N N 0.082 118.742 118.700 -0.067 0.000 2.039 179 N HA -0.115 4.624 4.740 -0.002 0.000 0.193 179 N C 1.497 176.988 175.510 -0.032 0.000 1.044 179 N CA 1.370 54.389 53.050 -0.051 0.000 0.847 179 N CB -0.295 38.172 38.487 -0.033 0.000 1.030 179 N HN 0.260 nan 8.380 nan 0.000 0.422 180 K N 0.921 121.306 120.400 -0.025 0.000 2.280 180 K HA 0.005 4.324 4.320 -0.002 0.000 0.202 180 K C 1.790 178.379 176.600 -0.017 0.000 1.047 180 K CA 0.666 56.945 56.287 -0.014 0.000 0.942 180 K CB -0.400 32.093 32.500 -0.010 0.000 0.739 180 K HN 0.311 nan 8.250 nan 0.000 0.457 181 S N -1.194 114.490 115.700 -0.027 0.000 2.540 181 S HA 0.141 4.610 4.470 -0.002 0.000 0.218 181 S C 1.431 176.016 174.600 -0.024 0.000 0.977 181 S CA 0.090 58.275 58.200 -0.024 0.000 0.918 181 S CB 0.526 63.709 63.200 -0.029 0.000 0.806 181 S HN 0.201 nan 8.310 nan 0.000 0.496 182 G N 0.719 109.502 108.800 -0.028 0.000 3.393 182 G HA2 0.516 4.475 3.960 -0.002 0.000 0.255 182 G HA3 0.516 4.475 3.960 -0.002 0.000 0.255 182 G C 0.583 175.469 174.900 -0.023 0.000 1.097 182 G CA -0.073 45.009 45.100 -0.030 0.000 0.780 182 G HN 0.619 nan 8.290 nan 0.000 0.540 183 G N 0.125 108.918 108.800 -0.011 0.000 2.636 183 G HA2 0.363 4.322 3.960 -0.002 0.000 0.246 183 G HA3 0.363 4.322 3.960 -0.002 0.000 0.246 183 G C -0.271 174.634 174.900 0.008 0.000 1.216 183 G CA -0.471 44.630 45.100 0.001 0.000 0.854 183 G HN 0.306 nan 8.290 nan 0.000 0.572 184 L N 1.664 122.898 121.223 0.019 0.000 2.361 184 L HA 0.372 4.711 4.340 -0.002 0.000 0.278 184 L C 0.113 177.010 176.870 0.045 0.000 1.113 184 L CA -0.036 54.819 54.840 0.025 0.000 0.849 184 L CB 1.001 43.075 42.059 0.025 0.000 1.155 184 L HN 0.158 nan 8.230 nan 0.000 0.452 185 V N 6.585 126.524 119.914 0.041 0.000 2.432 185 V HA 0.368 4.487 4.120 -0.002 0.000 0.275 185 V C 0.077 176.222 176.094 0.086 0.000 1.043 185 V CA -0.520 61.816 62.300 0.061 0.000 0.925 185 V CB 1.470 33.313 31.823 0.035 0.000 0.985 185 V HN 0.553 nan 8.190 nan 0.000 0.466 186 V N 5.485 125.493 119.914 0.156 0.000 2.513 186 V HA 0.392 4.511 4.120 -0.002 0.000 0.299 186 V C 0.714 176.989 176.094 0.302 0.000 1.035 186 V CA -0.541 61.871 62.300 0.187 0.000 0.889 186 V CB 1.924 33.858 31.823 0.185 0.000 0.988 186 V HN 0.905 nan 8.190 nan 0.000 0.440 187 N N 1.672 120.504 118.700 0.221 0.000 2.387 187 N HA 0.078 4.817 4.740 -0.002 0.000 0.176 187 N C -0.175 175.543 175.510 0.346 0.000 1.022 187 N CA 0.435 53.634 53.050 0.248 0.000 0.883 187 N CB 0.581 39.141 38.487 0.123 0.000 1.019 187 N HN 0.664 nan 8.380 nan 0.000 0.435 188 D N 0.527 121.018 120.400 0.151 0.000 2.362 188 D HA 0.280 4.919 4.640 -0.002 0.000 0.247 188 D C 1.277 177.372 176.300 -0.341 0.000 1.050 188 D CA -0.507 53.489 54.000 -0.006 0.000 0.839 188 D CB 2.295 43.083 40.800 -0.019 0.000 1.283 188 D HN -0.103 nan 8.370 nan 0.000 0.477 189 I N 0.968 121.173 120.570 -0.608 0.000 2.454 189 I HA -0.254 3.915 4.170 -0.002 0.000 0.254 189 I C 2.392 178.262 176.117 -0.412 0.000 1.156 189 I CA 0.888 61.699 61.300 -0.815 0.000 1.433 189 I CB -0.199 37.426 38.000 -0.625 0.000 1.082 189 I HN 0.404 nan 8.210 nan 0.000 0.432 190 A N 0.576 123.249 122.820 -0.246 0.000 2.019 190 A HA -0.231 4.088 4.320 -0.002 0.000 0.219 190 A C 2.272 179.769 177.584 -0.144 0.000 1.164 190 A CA 1.388 53.332 52.037 -0.154 0.000 0.644 190 A CB -0.490 18.453 19.000 -0.096 0.000 0.805 190 A HN 0.504 nan 8.150 nan 0.000 0.449 191 Q N -0.483 119.223 119.800 -0.157 0.000 2.224 191 Q HA 0.003 4.342 4.340 -0.002 0.000 0.203 191 Q C 1.080 177.000 176.000 -0.133 0.000 0.970 191 Q CA 0.864 56.594 55.803 -0.122 0.000 0.865 191 Q CB -0.254 28.429 28.738 -0.092 0.000 0.922 191 Q HN 0.677 nan 8.270 nan 0.000 0.445 192 L N 0.729 121.837 121.223 -0.191 0.000 2.645 192 L HA 0.251 4.590 4.340 -0.002 0.000 0.234 192 L C 0.455 177.252 176.870 -0.123 0.000 1.165 192 L CA -0.798 53.944 54.840 -0.164 0.000 0.944 192 L CB -0.325 41.582 42.059 -0.252 0.000 1.149 192 L HN -0.022 nan 8.230 nan 0.000 0.446 193 A N 0.631 123.386 122.820 -0.107 0.000 2.561 193 A HA 0.374 4.693 4.320 -0.002 0.000 0.251 193 A C 1.354 178.920 177.584 -0.031 0.000 1.062 193 A CA 1.014 53.010 52.037 -0.069 0.000 0.761 193 A CB -0.247 18.718 19.000 -0.058 0.000 0.986 193 A HN 0.650 nan 8.150 nan 0.000 0.510 194 G N 1.746 110.541 108.800 -0.009 0.000 2.352 194 G HA2 -0.177 3.782 3.960 -0.002 0.000 0.204 194 G HA3 -0.177 3.782 3.960 -0.002 0.000 0.204 194 G C 0.320 175.236 174.900 0.027 0.000 1.004 194 G CA 0.097 45.216 45.100 0.031 0.000 0.648 194 G HN 0.695 nan 8.290 nan 0.000 0.491 195 M N 2.264 121.866 119.600 0.004 0.000 2.247 195 M HA 0.522 5.001 4.480 -0.002 0.000 0.326 195 M C 1.447 177.749 176.300 0.003 0.000 1.134 195 M CA 0.163 55.470 55.300 0.010 0.000 1.136 195 M CB 1.208 33.809 32.600 0.001 0.000 1.454 195 M HN 0.506 nan 8.290 nan 0.000 0.467 196 S N 0.330 116.038 115.700 0.013 0.000 2.641 196 S HA 0.138 4.607 4.470 -0.002 0.000 0.261 196 S C 0.644 175.249 174.600 0.007 0.000 1.257 196 S CA -0.524 57.683 58.200 0.011 0.000 0.983 196 S CB 0.542 63.751 63.200 0.014 0.000 0.990 196 S HN 0.743 nan 8.310 nan 0.000 0.572 197 E N 0.062 120.269 120.200 0.011 0.000 2.072 197 E HA -0.139 4.210 4.350 -0.002 0.000 0.190 197 E C 2.133 178.751 176.600 0.029 0.000 0.982 197 E CA 0.902 57.313 56.400 0.018 0.000 0.803 197 E CB -0.203 29.509 29.700 0.019 0.000 0.755 197 E HN 0.521 nan 8.360 nan 0.000 0.453 198 Q N 1.051 120.862 119.800 0.019 0.000 2.050 198 Q HA -0.151 4.187 4.340 -0.002 0.000 0.202 198 Q C 1.806 177.824 176.000 0.030 0.000 0.980 198 Q CA 1.371 57.184 55.803 0.016 0.000 0.840 198 Q CB -0.133 28.601 28.738 -0.008 0.000 0.898 198 Q HN 0.306 nan 8.270 nan 0.000 0.424 199 E N -0.170 120.048 120.200 0.030 0.000 2.077 199 E HA -0.155 4.194 4.350 -0.002 0.000 0.193 199 E C 1.953 178.596 176.600 0.071 0.000 0.989 199 E CA 1.013 57.440 56.400 0.045 0.000 0.800 199 E CB -0.164 29.560 29.700 0.040 0.000 0.746 199 E HN 0.322 nan 8.360 nan 0.000 0.452 200 I N 0.917 121.524 120.570 0.061 0.000 2.179 200 I HA -0.293 3.876 4.170 -0.002 0.000 0.242 200 I C 2.537 178.781 176.117 0.211 0.000 1.088 200 I CA 0.996 62.356 61.300 0.099 0.000 1.357 200 I CB -0.368 37.638 38.000 0.009 0.000 1.051 200 I HN 0.116 nan 8.210 nan 0.000 0.409 201 A N 0.964 123.867 122.820 0.138 0.000 1.902 201 A HA -0.173 4.146 4.320 -0.002 0.000 0.217 201 A C 2.312 179.956 177.584 0.100 0.000 1.181 201 A CA 1.398 53.510 52.037 0.125 0.000 0.623 201 A CB -0.873 18.169 19.000 0.070 0.000 0.818 201 A HN 0.371 nan 8.150 nan 0.000 0.443 202 L N -0.792 120.477 121.223 0.078 0.000 2.042 202 L HA -0.243 4.096 4.340 -0.002 0.000 0.210 202 L C 3.116 180.034 176.870 0.079 0.000 1.076 202 L CA 1.188 56.061 54.840 0.055 0.000 0.749 202 L CB -0.523 41.561 42.059 0.041 0.000 0.893 202 L HN 0.459 nan 8.230 nan 0.000 0.432 203 A N -0.243 122.660 122.820 0.139 0.000 1.933 203 A HA -0.166 4.153 4.320 -0.002 0.000 0.218 203 A C 2.486 180.161 177.584 0.150 0.000 1.175 203 A CA 1.738 53.886 52.037 0.186 0.000 0.628 203 A CB -0.654 18.520 19.000 0.289 0.000 0.814 203 A HN 0.424 nan 8.150 nan 0.000 0.444 204 A N -0.438 122.476 122.820 0.156 0.000 1.929 204 A HA -0.074 4.245 4.320 -0.002 0.000 0.216 204 A C 1.979 179.503 177.584 -0.101 0.000 1.176 204 A CA 2.009 53.969 52.037 -0.128 0.000 0.628 204 A CB -0.385 18.570 19.000 -0.076 0.000 0.816 204 A HN 0.500 nan 8.150 nan 0.000 0.444 205 E N 0.639 120.827 120.200 -0.021 0.000 2.072 205 E HA -0.038 4.311 4.350 -0.002 0.000 0.191 205 E C 1.984 178.569 176.600 -0.025 0.000 0.985 205 E CA 1.613 57.998 56.400 -0.026 0.000 0.801 205 E CB -0.559 29.138 29.700 -0.006 0.000 0.750 205 E HN 0.420 nan 8.360 nan 0.000 0.452 206 A N 0.913 123.730 122.820 -0.004 0.000 1.902 206 A HA -0.038 4.280 4.320 -0.002 0.000 0.217 206 A C 2.459 180.031 177.584 -0.020 0.000 1.181 206 A CA 2.192 54.230 52.037 0.002 0.000 0.623 206 A CB -1.034 17.983 19.000 0.027 0.000 0.818 206 A HN 0.386 nan 8.150 nan 0.000 0.443 207 A N -0.334 122.458 122.820 -0.046 0.000 1.902 207 A HA -0.175 4.144 4.320 -0.002 0.000 0.217 207 A C 2.246 179.776 177.584 -0.091 0.000 1.181 207 A CA 1.816 53.803 52.037 -0.084 0.000 0.623 207 A CB -0.500 18.394 19.000 -0.176 0.000 0.818 207 A HN 0.561 nan 8.150 nan 0.000 0.443 208 R N -0.135 120.306 120.500 -0.098 0.000 2.070 208 R HA -0.172 4.167 4.340 -0.002 0.000 0.233 208 R C 2.062 178.331 176.300 -0.052 0.000 1.137 208 R CA 1.866 57.917 56.100 -0.083 0.000 0.945 208 R CB -0.354 29.899 30.300 -0.078 0.000 0.845 208 R HN 0.667 nan 8.270 nan 0.000 0.430 209 E N -0.009 120.170 120.200 -0.036 0.000 2.171 209 E HA -0.192 4.157 4.350 -0.002 0.000 0.197 209 E C 1.491 178.079 176.600 -0.020 0.000 0.997 209 E CA 0.983 57.371 56.400 -0.020 0.000 0.810 209 E CB 0.105 29.801 29.700 -0.007 0.000 0.738 209 E HN 0.156 nan 8.360 nan 0.000 0.467 210 K N -0.528 119.857 120.400 -0.026 0.000 2.444 210 K HA 0.048 4.366 4.320 -0.002 0.000 0.193 210 K C 0.833 177.414 176.600 -0.031 0.000 1.024 210 K CA 0.650 56.923 56.287 -0.023 0.000 1.077 210 K CB 0.927 33.414 32.500 -0.021 0.000 0.833 210 K HN 0.274 nan 8.250 nan 0.000 0.517 211 G N 1.717 110.493 108.800 -0.039 0.000 2.160 211 G HA2 -0.239 3.720 3.960 -0.002 0.000 0.244 211 G HA3 -0.239 3.720 3.960 -0.002 0.000 0.244 211 G C -0.099 174.769 174.900 -0.053 0.000 1.022 211 G CA -0.085 44.989 45.100 -0.043 0.000 0.741 211 G HN 0.219 nan 8.290 nan 0.000 0.508 212 L N 0.736 121.917 121.223 -0.069 0.000 2.272 212 L HA 0.480 4.819 4.340 -0.002 0.000 0.289 212 L C -0.543 176.253 176.870 -0.123 0.000 1.032 212 L CA -0.949 53.840 54.840 -0.085 0.000 0.810 212 L CB 1.268 43.276 42.059 -0.084 0.000 1.205 212 L HN -0.046 nan 8.230 nan 0.000 0.422 213 D N 3.823 124.155 120.400 -0.114 0.000 2.198 213 D HA 0.213 4.852 4.640 -0.002 0.000 0.245 213 D C 0.300 176.495 176.300 -0.175 0.000 1.079 213 D CA 0.009 53.927 54.000 -0.138 0.000 0.854 213 D CB 1.210 41.955 40.800 -0.093 0.000 1.148 213 D HN 0.469 nan 8.370 nan 0.000 0.456 214 N N 1.195 119.736 118.700 -0.264 0.000 2.829 214 N HA -0.147 4.592 4.740 -0.002 0.000 0.250 214 N C -0.491 174.714 175.510 -0.507 0.000 1.090 214 N CA 0.780 53.629 53.050 -0.335 0.000 0.781 214 N CB -0.391 38.007 38.487 -0.149 0.000 1.124 214 N HN 0.423 nan 8.380 nan 0.000 0.559 215 K N -0.424 119.628 120.400 -0.579 0.000 2.352 215 K HA 0.543 4.861 4.320 -0.002 0.000 0.240 215 K C -0.098 176.056 176.600 -0.743 0.000 1.017 215 K CA -0.263 55.741 56.287 -0.471 0.000 0.851 215 K CB 1.633 34.036 32.500 -0.161 0.000 1.261 215 K HN 0.038 nan 8.250 nan 0.000 0.451 216 W N 1.533 122.831 121.300 -0.003 0.000 2.785 216 W HA 0.391 5.051 4.660 -0.001 0.000 0.333 216 W C -0.761 175.757 176.519 -0.002 0.000 1.062 216 W CA -0.831 56.513 57.345 -0.002 0.000 1.233 216 W CB 1.648 31.108 29.460 -0.001 0.000 1.413 216 W HN 0.270 nan 8.180 nan 0.000 0.489 217 L N 4.463 125.785 121.223 0.165 0.000 2.362 217 L HA 0.637 4.976 4.340 -0.002 0.000 0.275 217 L C -1.021 175.910 176.870 0.101 0.000 0.998 217 L CA -0.594 54.308 54.840 0.102 0.000 0.820 217 L CB 1.512 43.597 42.059 0.043 0.000 1.270 217 L HN 0.303 nan 8.230 nan 0.000 0.415 218 I N 6.877 127.497 120.570 0.083 0.000 2.390 218 I HA 0.399 4.568 4.170 -0.002 0.000 0.283 218 I C -2.142 174.006 176.117 0.052 0.000 1.016 218 I CA -1.732 59.611 61.300 0.072 0.000 1.151 218 I CB 1.479 39.520 38.000 0.068 0.000 1.293 218 I HN 0.496 nan 8.210 nan 0.000 0.458 219 P HA 0.213 nan 4.420 nan 0.000 0.272 219 P C -0.620 176.702 177.300 0.037 0.000 1.230 219 P CA -0.264 62.860 63.100 0.040 0.000 0.788 219 P CB 0.633 32.363 31.700 0.048 0.000 0.949 220 L N 1.544 122.777 121.223 0.016 0.000 2.399 220 L HA 0.343 4.682 4.340 -0.002 0.000 0.266 220 L C 0.290 177.173 176.870 0.023 0.000 1.114 220 L CA -0.685 54.155 54.840 -0.000 0.000 0.804 220 L CB 0.167 42.194 42.059 -0.053 0.000 1.146 220 L HN 0.198 nan 8.230 nan 0.000 0.451 221 L N 1.697 122.938 121.223 0.030 0.000 2.358 221 L HA 0.284 4.623 4.340 -0.002 0.000 0.268 221 L C 1.360 178.262 176.870 0.053 0.000 1.032 221 L CA -0.209 54.672 54.840 0.069 0.000 0.805 221 L CB 1.007 43.124 42.059 0.097 0.000 1.253 221 L HN 0.642 nan 8.230 nan 0.000 0.452 222 N N -0.788 117.989 118.700 0.127 0.000 2.289 222 N HA -0.092 4.647 4.740 -0.002 0.000 0.184 222 N C 0.391 176.091 175.510 0.317 0.000 1.016 222 N CA 1.040 54.211 53.050 0.203 0.000 0.872 222 N CB -0.760 37.898 38.487 0.286 0.000 0.973 222 N HN 0.744 nan 8.380 nan 0.000 0.433 223 T N -3.300 111.383 114.554 0.216 0.000 2.816 223 T HA 0.231 4.580 4.350 -0.002 0.000 0.282 223 T C 1.189 175.946 174.700 0.095 0.000 0.993 223 T CA -0.273 61.882 62.100 0.091 0.000 0.994 223 T CB 1.010 69.872 68.868 -0.011 0.000 1.025 223 T HN -0.019 nan 8.240 nan 0.000 0.529 224 T N 0.443 115.089 114.554 0.153 0.000 2.737 224 T HA -0.028 4.321 4.350 -0.002 0.000 0.265 224 T C 0.993 175.825 174.700 0.219 0.000 1.038 224 T CA 1.032 63.301 62.100 0.282 0.000 1.144 224 T CB -0.166 68.948 68.868 0.410 0.000 0.866 224 T HN 0.475 nan 8.240 nan 0.000 0.434 225 Q N 1.988 121.915 119.800 0.211 0.000 2.327 225 Q HA 0.249 4.588 4.340 -0.002 0.000 0.254 225 Q C -0.264 175.832 176.000 0.159 0.000 0.952 225 Q CA 0.202 56.141 55.803 0.226 0.000 0.884 225 Q CB 0.739 29.552 28.738 0.125 0.000 1.224 225 Q HN 0.356 nan 8.270 nan 0.000 0.422 226 Q N 2.748 122.660 119.800 0.187 0.000 2.322 226 Q HA 0.276 4.615 4.340 -0.002 0.000 0.265 226 Q C -1.722 174.366 176.000 0.145 0.000 0.985 226 Q CA -1.933 53.955 55.803 0.141 0.000 0.849 226 Q CB 1.177 29.994 28.738 0.132 0.000 1.274 226 Q HN 0.263 nan 8.270 nan 0.000 0.449 227 P HA -0.200 nan 4.420 nan 0.000 0.216 227 P C 0.874 178.253 177.300 0.131 0.000 1.153 227 P CA 1.850 65.028 63.100 0.131 0.000 0.858 227 P CB 0.273 32.050 31.700 0.128 0.000 0.789 228 A N -0.769 122.123 122.820 0.120 0.000 2.076 228 A HA -0.157 4.162 4.320 -0.002 0.000 0.220 228 A C 2.127 179.784 177.584 0.122 0.000 1.160 228 A CA 1.119 53.221 52.037 0.109 0.000 0.653 228 A CB -1.609 17.444 19.000 0.089 0.000 0.801 228 A HN 0.147 nan 8.150 nan 0.000 0.455 229 L N -0.991 120.319 121.223 0.146 0.000 2.127 229 L HA -0.255 4.084 4.340 -0.002 0.000 0.211 229 L C 3.001 179.990 176.870 0.198 0.000 1.089 229 L CA 1.039 55.980 54.840 0.168 0.000 0.757 229 L CB -0.568 41.620 42.059 0.216 0.000 0.899 229 L HN 0.463 nan 8.230 nan 0.000 0.434 230 A N -0.157 122.778 122.820 0.193 0.000 2.019 230 A HA -0.187 4.132 4.320 -0.002 0.000 0.219 230 A C 2.111 179.837 177.584 0.237 0.000 1.164 230 A CA 1.595 53.755 52.037 0.205 0.000 0.644 230 A CB -0.244 18.848 19.000 0.153 0.000 0.805 230 A HN 0.539 nan 8.150 nan 0.000 0.449 231 E N -0.946 119.373 120.200 0.199 0.000 2.251 231 E HA 0.145 4.494 4.350 -0.002 0.000 0.194 231 E C 0.057 176.769 176.600 0.187 0.000 0.964 231 E CA -0.210 56.298 56.400 0.180 0.000 0.868 231 E CB -0.067 29.697 29.700 0.107 0.000 0.828 231 E HN 0.583 nan 8.360 nan 0.000 0.481 232 M N 1.950 121.613 119.600 0.106 0.000 2.427 232 M HA 0.077 4.556 4.480 -0.002 0.000 0.345 232 M C 0.964 177.126 176.300 -0.231 0.000 1.653 232 M CA 0.429 55.712 55.300 -0.027 0.000 1.138 232 M CB 0.443 33.016 32.600 -0.045 0.000 1.995 232 M HN -0.020 nan 8.290 nan 0.000 0.459 233 R N 0.680 121.083 120.500 -0.161 0.000 2.200 233 R HA -0.013 4.326 4.340 -0.002 0.000 0.208 233 R C 0.202 176.325 176.300 -0.295 0.000 1.033 233 R CA 0.444 56.384 56.100 -0.267 0.000 1.000 233 R CB -0.028 30.274 30.300 0.004 0.000 0.906 233 R HN 0.600 nan 8.270 nan 0.000 0.462 234 D N 1.544 121.824 120.400 -0.200 0.000 2.374 234 D HA 0.013 4.652 4.640 -0.002 0.000 0.240 234 D C 0.903 177.091 176.300 -0.186 0.000 1.229 234 D CA -0.026 53.880 54.000 -0.156 0.000 0.895 234 D CB 0.722 41.455 40.800 -0.112 0.000 1.046 234 D HN -0.054 nan 8.370 nan 0.000 0.498 235 R N 3.187 123.570 120.500 -0.196 0.000 2.127 235 R HA -0.198 4.141 4.340 -0.002 0.000 0.238 235 R C 1.726 177.934 176.300 -0.153 0.000 1.134 235 R CA 1.664 57.661 56.100 -0.171 0.000 0.975 235 R CB 0.036 30.234 30.300 -0.171 0.000 0.865 235 R HN 0.476 nan 8.270 nan 0.000 0.447 236 A N -0.495 122.238 122.820 -0.146 0.000 1.969 236 A HA -0.105 4.214 4.320 -0.002 0.000 0.218 236 A C 2.036 179.516 177.584 -0.174 0.000 1.169 236 A CA 1.852 53.792 52.037 -0.162 0.000 0.635 236 A CB -0.520 18.413 19.000 -0.110 0.000 0.810 236 A HN 0.430 nan 8.150 nan 0.000 0.445 237 T N -0.552 113.920 114.554 -0.136 0.000 2.942 237 T HA -0.050 4.299 4.350 -0.002 0.000 0.265 237 T C 2.004 176.641 174.700 -0.105 0.000 1.062 237 T CA 1.044 63.079 62.100 -0.109 0.000 1.139 237 T CB -0.161 68.656 68.868 -0.084 0.000 0.883 237 T HN 0.485 nan 8.240 nan 0.000 0.468 238 R N 1.043 121.476 120.500 -0.112 0.000 2.081 238 R HA -0.070 4.269 4.340 -0.002 0.000 0.235 238 R C 2.559 178.785 176.300 -0.123 0.000 1.131 238 R CA 1.367 57.449 56.100 -0.030 0.000 0.960 238 R CB -0.248 30.083 30.300 0.053 0.000 0.856 238 R HN 0.536 nan 8.270 nan 0.000 0.436 239 E N 1.479 121.368 120.200 -0.518 0.000 2.077 239 E HA -0.208 4.141 4.350 -0.002 0.000 0.193 239 E C 1.622 177.962 176.600 -0.434 0.000 0.989 239 E CA 1.338 57.102 56.400 -1.061 0.000 0.800 239 E CB 0.154 29.026 29.700 -1.379 0.000 0.746 239 E HN 0.237 nan 8.360 nan 0.000 0.452 240 K N 0.148 120.391 120.400 -0.261 0.000 2.097 240 K HA -0.160 4.159 4.320 -0.002 0.000 0.206 240 K C 2.255 178.825 176.600 -0.050 0.000 1.049 240 K CA 1.073 57.281 56.287 -0.131 0.000 0.933 240 K CB -0.177 32.266 32.500 -0.095 0.000 0.717 240 K HN 0.148 nan 8.250 nan 0.000 0.442 241 L N 0.539 121.754 121.223 -0.013 0.000 2.072 241 L HA -0.086 4.253 4.340 -0.002 0.000 0.205 241 L C 2.013 178.926 176.870 0.072 0.000 1.079 241 L CA 1.421 56.282 54.840 0.036 0.000 0.752 241 L CB -0.569 41.528 42.059 0.064 0.000 0.906 241 L HN 0.055 nan 8.230 nan 0.000 0.436 242 F N -0.056 119.901 119.950 0.012 0.000 2.069 242 F HA -0.241 4.285 4.527 -0.002 0.000 0.298 242 F C 2.230 178.110 175.800 0.134 0.000 1.113 242 F CA 1.709 59.771 58.000 0.102 0.000 1.214 242 F CB -0.192 38.920 39.000 0.188 0.000 0.978 242 F HN 0.042 nan 8.300 nan 0.000 0.474 243 I N 0.679 121.300 120.570 0.085 0.000 2.394 243 I HA -0.215 3.954 4.170 -0.002 0.000 0.251 243 I C 2.686 178.831 176.117 0.047 0.000 1.136 243 I CA 1.315 62.675 61.300 0.099 0.000 1.425 243 I CB -2.182 35.856 38.000 0.064 0.000 1.079 243 I HN 0.258 nan 8.210 nan 0.000 0.425 244 A N 0.825 123.640 122.820 -0.008 0.000 1.933 244 A HA -0.067 4.252 4.320 -0.002 0.000 0.218 244 A C 2.500 180.045 177.584 -0.065 0.000 1.175 244 A CA 1.782 53.806 52.037 -0.023 0.000 0.628 244 A CB -1.163 17.823 19.000 -0.023 0.000 0.814 244 A HN 0.413 nan 8.150 nan 0.000 0.444 245 G N -1.864 106.864 108.800 -0.121 0.000 2.394 245 G HA2 -0.229 3.730 3.960 -0.002 0.000 0.214 245 G HA3 -0.229 3.730 3.960 -0.002 0.000 0.214 245 G C 1.530 176.317 174.900 -0.189 0.000 1.176 245 G CA 0.716 45.683 45.100 -0.223 0.000 0.786 245 G HN 0.644 nan 8.290 nan 0.000 0.533 246 W N 2.232 123.321 121.300 -0.352 0.000 2.338 246 W HA -0.173 4.486 4.660 -0.002 0.000 0.304 246 W C 2.033 178.601 176.519 0.082 0.000 1.212 246 W CA 2.066 59.337 57.345 -0.122 0.000 1.264 246 W CB -0.052 29.294 29.460 -0.190 0.000 1.142 246 W HN 0.326 nan 8.180 nan 0.000 0.512 247 T N -1.995 112.608 114.554 0.082 0.000 3.145 247 T HA 0.084 4.433 4.350 -0.002 0.000 0.255 247 T C 1.679 176.372 174.700 -0.011 0.000 1.039 247 T CA 0.136 62.240 62.100 0.007 0.000 0.928 247 T CB -0.161 68.750 68.868 0.072 0.000 1.029 247 T HN 0.342 nan 8.240 nan 0.000 0.554 248 R N 1.777 122.255 120.500 -0.037 0.000 2.119 248 R HA -0.046 4.293 4.340 -0.002 0.000 0.246 248 R C 1.824 178.100 176.300 -0.039 0.000 1.146 248 R CA 1.861 57.927 56.100 -0.057 0.000 0.962 248 R CB -0.770 29.455 30.300 -0.125 0.000 0.863 248 R HN 0.397 nan 8.270 nan 0.000 0.442 249 A N 0.461 123.277 122.820 -0.006 0.000 2.574 249 A HA 0.194 4.513 4.320 -0.002 0.000 0.283 249 A C -0.082 177.484 177.584 -0.029 0.000 1.270 249 A CA -0.493 51.529 52.037 -0.025 0.000 0.945 249 A CB 0.399 19.394 19.000 -0.008 0.000 1.127 249 A HN 0.463 nan 8.150 nan 0.000 0.522 250 E N -0.160 120.025 120.200 -0.026 0.000 3.306 250 E HA 0.127 4.476 4.350 -0.002 0.000 0.197 250 E C -0.210 176.382 176.600 -0.012 0.000 0.980 250 E CA -0.094 56.291 56.400 -0.025 0.000 1.259 250 E CB 0.463 30.140 29.700 -0.040 0.000 1.112 250 E HN 0.376 nan 8.360 nan 0.000 0.458 251 K N 0.898 121.288 120.400 -0.016 0.000 2.410 251 K HA 0.136 4.455 4.320 -0.002 0.000 0.200 251 K C 0.152 176.746 176.600 -0.010 0.000 1.023 251 K CA -0.165 56.117 56.287 -0.008 0.000 1.149 251 K CB 0.162 32.655 32.500 -0.012 0.000 0.859 251 K HN 0.098 nan 8.250 nan 0.000 0.514 252 N N 2.977 121.669 118.700 -0.014 0.000 2.721 252 N HA -0.175 4.564 4.740 -0.002 0.000 0.249 252 N C -0.719 174.780 175.510 -0.018 0.000 1.072 252 N CA 1.753 54.795 53.050 -0.014 0.000 0.710 252 N CB -0.807 37.678 38.487 -0.004 0.000 0.993 252 N HN 0.566 nan 8.380 nan 0.000 0.547 253 D N -1.888 118.496 120.400 -0.026 0.000 2.723 253 D HA 0.609 5.248 4.640 -0.002 0.000 0.247 253 D C 1.067 177.344 176.300 -0.037 0.000 1.134 253 D CA 0.019 54.002 54.000 -0.028 0.000 1.099 253 D CB -0.362 40.422 40.800 -0.027 0.000 1.287 253 D HN -0.112 nan 8.370 nan 0.000 0.634 254 A N -0.921 121.875 122.820 -0.040 0.000 2.172 254 A HA -0.073 4.246 4.320 -0.002 0.000 0.216 254 A C 1.059 178.605 177.584 -0.064 0.000 1.154 254 A CA 0.783 52.792 52.037 -0.048 0.000 0.701 254 A CB -0.739 18.235 19.000 -0.044 0.000 0.789 254 A HN 0.476 nan 8.150 nan 0.000 0.465 255 N N 0.143 118.802 118.700 -0.069 0.000 2.205 255 N HA 0.016 4.755 4.740 -0.002 0.000 0.201 255 N C -0.409 175.036 175.510 -0.107 0.000 1.128 255 N CA -0.107 52.886 53.050 -0.096 0.000 0.867 255 N CB 0.191 38.623 38.487 -0.092 0.000 0.996 255 N HN 0.411 nan 8.380 nan 0.000 0.503 256 D N 1.596 121.948 120.400 -0.081 0.000 2.450 256 D HA -0.023 4.616 4.640 -0.002 0.000 0.247 256 D C 0.919 177.162 176.300 -0.096 0.000 1.162 256 D CA 0.569 54.525 54.000 -0.074 0.000 0.879 256 D CB 1.069 41.838 40.800 -0.051 0.000 1.163 256 D HN 0.202 nan 8.370 nan 0.000 0.472 257 T N 1.035 115.527 114.554 -0.105 0.000 3.086 257 T HA 0.125 4.473 4.350 -0.002 0.000 0.250 257 T C 1.648 176.300 174.700 -0.079 0.000 1.074 257 T CA -0.174 61.863 62.100 -0.106 0.000 0.988 257 T CB 0.257 69.037 68.868 -0.148 0.000 0.988 257 T HN 0.312 nan 8.240 nan 0.000 0.530 258 R N 1.178 121.630 120.500 -0.080 0.000 2.081 258 R HA 0.103 4.442 4.340 -0.002 0.000 0.235 258 R C 2.856 179.082 176.300 -0.124 0.000 1.131 258 R CA 1.437 57.477 56.100 -0.099 0.000 0.960 258 R CB -0.601 29.669 30.300 -0.050 0.000 0.856 258 R HN 0.499 nan 8.270 nan 0.000 0.436 259 A N 1.260 124.025 122.820 -0.092 0.000 1.902 259 A HA -0.143 4.176 4.320 -0.002 0.000 0.217 259 A C 2.158 179.668 177.584 -0.122 0.000 1.181 259 A CA 1.221 53.205 52.037 -0.089 0.000 0.623 259 A CB -0.486 18.477 19.000 -0.062 0.000 0.818 259 A HN 0.180 nan 8.150 nan 0.000 0.443 260 I N -0.443 120.056 120.570 -0.118 0.000 2.179 260 I HA -0.275 3.893 4.170 -0.002 0.000 0.242 260 I C 2.337 178.303 176.117 -0.252 0.000 1.088 260 I CA 1.434 62.659 61.300 -0.124 0.000 1.357 260 I CB -0.358 37.616 38.000 -0.043 0.000 1.051 260 I HN 0.306 nan 8.210 nan 0.000 0.409 261 I N 0.297 120.633 120.570 -0.390 0.000 2.163 261 I HA -0.360 3.809 4.170 -0.002 0.000 0.243 261 I C 2.743 178.471 176.117 -0.649 0.000 1.085 261 I CA 1.523 62.334 61.300 -0.814 0.000 1.347 261 I CB -0.424 36.932 38.000 -1.074 0.000 1.044 261 I HN 0.353 nan 8.210 nan 0.000 0.408 262 Q N 0.812 120.363 119.800 -0.415 0.000 2.112 262 Q HA -0.305 4.034 4.340 -0.002 0.000 0.206 262 Q C 2.297 178.170 176.000 -0.210 0.000 0.987 262 Q CA 1.931 57.571 55.803 -0.271 0.000 0.858 262 Q CB -0.041 28.614 28.738 -0.137 0.000 0.905 262 Q HN 0.206 nan 8.270 nan 0.000 0.420 263 R N -0.066 120.324 120.500 -0.183 0.000 2.115 263 R HA -0.058 4.280 4.340 -0.002 0.000 0.226 263 R C 1.949 178.167 176.300 -0.137 0.000 1.100 263 R CA 0.831 56.854 56.100 -0.127 0.000 0.980 263 R CB -0.588 29.655 30.300 -0.096 0.000 0.875 263 R HN 0.345 nan 8.270 nan 0.000 0.445 264 L N -0.284 120.820 121.223 -0.199 0.000 2.156 264 L HA -0.002 4.337 4.340 -0.002 0.000 0.208 264 L C 1.940 178.709 176.870 -0.168 0.000 1.095 264 L CA 1.237 55.971 54.840 -0.177 0.000 0.770 264 L CB -0.309 41.615 42.059 -0.225 0.000 0.914 264 L HN 0.033 nan 8.230 nan 0.000 0.439 265 V N -0.664 119.107 119.914 -0.239 0.000 2.427 265 V HA -0.240 3.879 4.120 -0.002 0.000 0.248 265 V C 2.353 178.399 176.094 -0.079 0.000 1.051 265 V CA 1.622 63.808 62.300 -0.189 0.000 1.048 265 V CB -0.418 31.237 31.823 -0.280 0.000 0.666 265 V HN 0.477 nan 8.190 nan 0.000 0.456 266 E N 0.074 120.227 120.200 -0.078 0.000 2.051 266 E HA -0.188 4.161 4.350 -0.002 0.000 0.192 266 E C 2.188 178.787 176.600 -0.002 0.000 0.991 266 E CA 1.516 57.899 56.400 -0.029 0.000 0.799 266 E CB -0.216 29.463 29.700 -0.035 0.000 0.748 266 E HN 0.524 nan 8.360 nan 0.000 0.449 267 I N 0.937 121.497 120.570 -0.017 0.000 2.264 267 I HA -0.289 3.880 4.170 -0.002 0.000 0.248 267 I C 2.508 178.663 176.117 0.064 0.000 1.111 267 I CA 1.178 62.484 61.300 0.011 0.000 1.382 267 I CB -0.201 37.796 38.000 -0.005 0.000 1.060 267 I HN 0.044 nan 8.210 nan 0.000 0.418 268 R N 0.559 121.090 120.500 0.053 0.000 2.075 268 R HA -0.101 4.237 4.340 -0.002 0.000 0.232 268 R C 2.472 178.950 176.300 0.298 0.000 1.126 268 R CA 1.435 57.629 56.100 0.157 0.000 0.963 268 R CB -0.451 29.763 30.300 -0.143 0.000 0.858 268 R HN 0.354 nan 8.270 nan 0.000 0.435 269 A N 1.141 124.077 122.820 0.193 0.000 1.902 269 A HA -0.209 4.110 4.320 -0.002 0.000 0.217 269 A C 2.044 179.709 177.584 0.135 0.000 1.181 269 A CA 1.215 53.373 52.037 0.202 0.000 0.623 269 A CB -0.348 18.734 19.000 0.137 0.000 0.818 269 A HN 0.324 nan 8.150 nan 0.000 0.443 270 Q N -0.646 119.203 119.800 0.082 0.000 2.079 270 Q HA -0.216 4.123 4.340 -0.002 0.000 0.200 270 Q C 2.334 178.330 176.000 -0.006 0.000 0.974 270 Q CA 1.647 57.469 55.803 0.031 0.000 0.840 270 Q CB -0.216 28.532 28.738 0.016 0.000 0.898 270 Q HN 0.776 nan 8.270 nan 0.000 0.430 271 Q N 0.313 120.120 119.800 0.012 0.000 2.020 271 Q HA -0.179 4.160 4.340 -0.002 0.000 0.202 271 Q C 2.218 178.003 176.000 -0.358 0.000 0.982 271 Q CA 1.393 57.121 55.803 -0.125 0.000 0.838 271 Q CB -0.310 28.434 28.738 0.009 0.000 0.899 271 Q HN 0.384 nan 8.270 nan 0.000 0.423 272 A N 0.767 123.474 122.820 -0.187 0.000 1.892 272 A HA -0.241 4.078 4.320 -0.002 0.000 0.218 272 A C 2.293 179.831 177.584 -0.077 0.000 1.188 272 A CA 2.133 54.063 52.037 -0.178 0.000 0.631 272 A CB -1.155 17.994 19.000 0.248 0.000 0.822 272 A HN 0.379 nan 8.150 nan 0.000 0.447 273 T N 0.477 115.013 114.554 -0.031 0.000 2.622 273 T HA -0.168 4.181 4.350 -0.002 0.000 0.266 273 T C 1.816 176.446 174.700 -0.117 0.000 1.047 273 T CA 1.537 63.609 62.100 -0.046 0.000 1.159 273 T CB -0.520 68.336 68.868 -0.020 0.000 0.863 273 T HN 0.355 nan 8.240 nan 0.000 0.422 274 L N 0.181 121.321 121.223 -0.138 0.000 2.137 274 L HA -0.131 4.208 4.340 -0.002 0.000 0.213 274 L C 1.996 178.742 176.870 -0.206 0.000 1.085 274 L CA 1.212 55.958 54.840 -0.157 0.000 0.760 274 L CB -0.424 41.541 42.059 -0.158 0.000 0.893 274 L HN 0.286 nan 8.230 nan 0.000 0.434 275 L N -1.165 119.892 121.223 -0.277 0.000 2.612 275 L HA 0.152 4.491 4.340 -0.002 0.000 0.230 275 L C 1.488 178.136 176.870 -0.371 0.000 1.140 275 L CA 0.646 55.309 54.840 -0.295 0.000 0.896 275 L CB -0.021 41.782 42.059 -0.427 0.000 1.065 275 L HN 0.395 nan 8.230 nan 0.000 0.447 276 G N -0.970 107.626 108.800 -0.340 0.000 2.194 276 G HA2 -0.278 3.681 3.960 -0.002 0.000 0.236 276 G HA3 -0.278 3.681 3.960 -0.002 0.000 0.236 276 G C 0.196 174.771 174.900 -0.540 0.000 0.987 276 G CA -0.444 44.386 45.100 -0.449 0.000 0.635 276 G HN 0.166 nan 8.290 nan 0.000 0.520 277 F N 0.571 120.421 119.950 -0.168 0.000 2.370 277 F HA 0.539 5.065 4.527 -0.002 0.000 0.324 277 F C -0.668 175.043 175.800 -0.148 0.000 1.116 277 F CA -1.948 55.966 58.000 -0.143 0.000 1.123 277 F CB 1.030 39.975 39.000 -0.092 0.000 1.238 277 F HN -0.193 nan 8.300 nan 0.000 0.536 278 P HA -0.033 nan 4.420 nan 0.000 0.222 278 P C -0.690 176.598 177.300 -0.021 0.000 1.153 278 P CA 1.320 64.350 63.100 -0.117 0.000 0.798 278 P CB 0.051 31.596 31.700 -0.258 0.000 0.796 279 H N -6.465 112.738 119.070 0.222 0.000 2.932 279 H HA 0.145 4.700 4.556 -0.002 0.000 0.307 279 H C -0.177 175.325 175.328 0.289 0.000 1.391 279 H CA -0.749 55.440 56.048 0.234 0.000 1.130 279 H CB -0.103 29.781 29.762 0.204 0.000 1.836 279 H HN -0.265 nan 8.280 nan 0.000 0.522 280 Y N 1.493 122.051 120.300 0.431 0.000 2.165 280 Y HA -0.164 4.385 4.550 -0.002 0.000 0.286 280 Y C 2.622 178.664 175.900 0.237 0.000 1.155 280 Y CA 2.793 61.113 58.100 0.366 0.000 1.164 280 Y CB -0.660 38.006 38.460 0.343 0.000 0.978 280 Y HN 0.767 nan 8.280 nan 0.000 0.513 281 A N 0.428 123.464 122.820 0.361 0.000 1.883 281 A HA -0.203 4.116 4.320 -0.002 0.000 0.217 281 A C 2.460 180.077 177.584 0.054 0.000 1.186 281 A CA 2.253 54.380 52.037 0.151 0.000 0.624 281 A CB -1.602 17.488 19.000 0.149 0.000 0.822 281 A HN 0.607 nan 8.150 nan 0.000 0.444 282 A N -1.465 121.519 122.820 0.273 0.000 1.883 282 A HA -0.193 4.125 4.320 -0.002 0.000 0.217 282 A C 2.002 179.393 177.584 -0.322 0.000 1.186 282 A CA 1.853 53.923 52.037 0.055 0.000 0.624 282 A CB -0.969 18.075 19.000 0.072 0.000 0.822 282 A HN 0.923 nan 8.150 nan 0.000 0.444 283 W N 1.042 121.786 121.300 -0.927 0.000 2.355 283 W HA -0.161 4.498 4.660 -0.002 0.000 0.309 283 W C 2.032 177.991 176.519 -0.932 0.000 1.206 283 W CA 2.117 58.480 57.345 -1.636 0.000 1.284 283 W CB -0.435 28.284 29.460 -1.236 0.000 1.145 283 W HN 0.249 nan 8.180 nan 0.000 0.502 284 K N 0.415 120.239 120.400 -0.959 0.000 2.097 284 K HA -0.069 4.250 4.320 -0.002 0.000 0.205 284 K C 1.936 178.202 176.600 -0.555 0.000 1.050 284 K CA 2.036 57.730 56.287 -0.988 0.000 0.938 284 K CB -0.718 31.142 32.500 -1.066 0.000 0.718 284 K HN 0.300 nan 8.250 nan 0.000 0.442 285 I N 0.313 120.660 120.570 -0.371 0.000 3.251 285 I HA -0.037 4.132 4.170 -0.002 0.000 0.277 285 I C 1.956 177.955 176.117 -0.196 0.000 1.268 285 I CA 0.502 61.665 61.300 -0.229 0.000 1.449 285 I CB -0.277 37.621 38.000 -0.169 0.000 1.083 285 I HN 0.148 nan 8.210 nan 0.000 0.464 286 A N 1.831 124.524 122.820 -0.213 0.000 1.958 286 A HA -0.267 4.052 4.320 -0.002 0.000 0.221 286 A C 1.737 179.268 177.584 -0.088 0.000 1.178 286 A CA 2.429 54.402 52.037 -0.105 0.000 0.642 286 A CB -0.551 18.412 19.000 -0.062 0.000 0.816 286 A HN 0.607 nan 8.150 nan 0.000 0.453 287 D N -1.629 118.685 120.400 -0.143 0.000 2.368 287 D HA 0.104 4.743 4.640 -0.002 0.000 0.218 287 D C 0.385 176.616 176.300 -0.115 0.000 1.112 287 D CA -0.159 53.775 54.000 -0.110 0.000 0.834 287 D CB -0.130 40.594 40.800 -0.127 0.000 0.953 287 D HN 0.305 nan 8.370 nan 0.000 0.505 288 Q N -0.127 119.593 119.800 -0.133 0.000 2.169 288 Q HA 0.288 4.626 4.340 -0.002 0.000 0.234 288 Q C 1.377 177.309 176.000 -0.113 0.000 0.980 288 Q CA -0.654 55.069 55.803 -0.133 0.000 0.941 288 Q CB 1.129 29.773 28.738 -0.156 0.000 1.199 288 Q HN 0.016 nan 8.270 nan 0.000 0.496 289 M N 0.145 119.676 119.600 -0.115 0.000 2.213 289 M HA -0.082 4.397 4.480 -0.002 0.000 0.263 289 M C 1.714 177.933 176.300 -0.135 0.000 1.062 289 M CA 1.512 56.779 55.300 -0.055 0.000 1.105 289 M CB -1.470 31.174 32.600 0.073 0.000 1.385 289 M HN 0.727 nan 8.290 nan 0.000 0.417 290 A N -0.515 122.025 122.820 -0.467 0.000 2.119 290 A HA -0.095 4.224 4.320 -0.002 0.000 0.217 290 A C 1.589 179.041 177.584 -0.219 0.000 1.153 290 A CA 1.096 52.765 52.037 -0.613 0.000 0.692 290 A CB -0.117 18.186 19.000 -1.162 0.000 0.799 290 A HN 0.408 nan 8.150 nan 0.000 0.458 291 K N -1.626 118.680 120.400 -0.156 0.000 4.104 291 K HA -0.211 4.107 4.320 -0.002 0.000 0.367 291 K C 0.591 177.151 176.600 -0.066 0.000 0.615 291 K CA 2.357 58.600 56.287 -0.073 0.000 1.598 291 K CB -2.501 29.996 32.500 -0.006 0.000 1.261 291 K HN 0.923 nan 8.250 nan 0.000 0.503 292 T N -3.773 110.730 114.554 -0.085 0.000 2.903 292 T HA 0.560 4.908 4.350 -0.002 0.000 0.299 292 T C -2.491 172.149 174.700 -0.100 0.000 1.093 292 T CA -1.605 60.466 62.100 -0.048 0.000 1.002 292 T CB 3.164 72.041 68.868 0.015 0.000 1.127 292 T HN -0.294 nan 8.240 nan 0.000 0.488 293 P HA -0.055 nan 4.420 nan 0.000 0.216 293 P C 1.435 178.712 177.300 -0.039 0.000 1.153 293 P CA 0.910 63.977 63.100 -0.055 0.000 0.848 293 P CB 0.187 31.942 31.700 0.092 0.000 0.787 294 E N 0.041 120.257 120.200 0.027 0.000 2.110 294 E HA -0.172 4.177 4.350 -0.002 0.000 0.193 294 E C 1.911 178.548 176.600 0.062 0.000 0.988 294 E CA 1.592 58.022 56.400 0.051 0.000 0.804 294 E CB -1.096 28.645 29.700 0.068 0.000 0.745 294 E HN 0.058 nan 8.360 nan 0.000 0.458 295 A N 0.579 123.432 122.820 0.056 0.000 1.933 295 A HA -0.016 4.303 4.320 -0.002 0.000 0.218 295 A C 2.412 180.121 177.584 0.207 0.000 1.175 295 A CA 1.958 54.084 52.037 0.148 0.000 0.628 295 A CB -0.915 18.174 19.000 0.149 0.000 0.814 295 A HN 0.382 nan 8.150 nan 0.000 0.444 296 A N -0.286 122.490 122.820 -0.073 0.000 1.873 296 A HA 0.005 4.324 4.320 -0.002 0.000 0.215 296 A C 2.175 179.796 177.584 0.062 0.000 1.186 296 A CA 1.393 53.288 52.037 -0.236 0.000 0.616 296 A CB -0.599 17.805 19.000 -0.994 0.000 0.823 296 A HN 0.450 nan 8.150 nan 0.000 0.442 297 L N -0.387 120.853 121.223 0.030 0.000 2.046 297 L HA -0.236 4.102 4.340 -0.002 0.000 0.208 297 L C 2.395 179.351 176.870 0.143 0.000 1.077 297 L CA 1.721 56.617 54.840 0.093 0.000 0.747 297 L CB -0.631 41.464 42.059 0.058 0.000 0.896 297 L HN 0.527 nan 8.230 nan 0.000 0.432 298 N N -0.684 118.108 118.700 0.153 0.000 2.166 298 N HA -0.228 4.511 4.740 -0.002 0.000 0.186 298 N C 1.835 177.450 175.510 0.174 0.000 1.019 298 N CA 1.043 54.179 53.050 0.142 0.000 0.856 298 N CB -0.108 38.461 38.487 0.137 0.000 0.993 298 N HN 0.183 nan 8.380 nan 0.000 0.426 299 F N 1.695 121.726 119.950 0.135 0.000 2.102 299 F HA -0.114 4.412 4.527 -0.002 0.000 0.298 299 F C 2.240 178.109 175.800 0.115 0.000 1.105 299 F CA 1.355 59.428 58.000 0.121 0.000 1.239 299 F CB -0.065 39.072 39.000 0.228 0.000 0.991 299 F HN -0.041 nan 8.300 nan 0.000 0.474 300 M N -0.209 119.619 119.600 0.381 0.000 2.132 300 M HA -0.145 4.334 4.480 -0.002 0.000 0.263 300 M C 2.263 178.609 176.300 0.077 0.000 1.065 300 M CA 1.611 57.060 55.300 0.248 0.000 1.122 300 M CB -0.515 32.274 32.600 0.315 0.000 1.365 300 M HN 0.028 nan 8.290 nan 0.000 0.411 301 R N 0.697 121.244 120.500 0.077 0.000 2.127 301 R HA -0.183 4.156 4.340 -0.002 0.000 0.238 301 R C 2.127 178.419 176.300 -0.014 0.000 1.134 301 R CA 1.739 57.859 56.100 0.034 0.000 0.975 301 R CB -0.517 29.809 30.300 0.043 0.000 0.865 301 R HN 0.585 nan 8.270 nan 0.000 0.447 302 E N 1.551 121.719 120.200 -0.053 0.000 2.085 302 E HA -0.216 4.133 4.350 -0.002 0.000 0.194 302 E C 1.715 178.247 176.600 -0.114 0.000 0.994 302 E CA 1.649 57.991 56.400 -0.096 0.000 0.801 302 E CB -0.319 29.284 29.700 -0.161 0.000 0.743 302 E HN 0.604 nan 8.360 nan 0.000 0.453 303 I N -1.850 118.632 120.570 -0.147 0.000 3.883 303 I HA 0.111 4.280 4.170 -0.002 0.000 0.326 303 I C 1.897 177.985 176.117 -0.048 0.000 1.283 303 I CA -0.265 60.966 61.300 -0.115 0.000 1.161 303 I CB 0.419 38.320 38.000 -0.166 0.000 1.012 303 I HN -0.113 nan 8.210 nan 0.000 0.421 304 V N 2.805 122.704 119.914 -0.026 0.000 2.287 304 V HA -0.123 3.995 4.120 -0.002 0.000 0.248 304 V C 0.113 176.199 176.094 -0.013 0.000 1.053 304 V CA 2.480 64.776 62.300 -0.007 0.000 1.027 304 V CB -1.467 30.359 31.823 0.006 0.000 0.646 304 V HN 0.385 nan 8.190 nan 0.000 0.447 305 P HA -0.164 nan 4.420 nan 0.000 0.215 305 P C 1.667 178.960 177.300 -0.011 0.000 1.157 305 P CA 2.067 65.159 63.100 -0.013 0.000 0.868 305 P CB -0.165 31.526 31.700 -0.014 0.000 0.788 306 A N -0.196 122.615 122.820 -0.015 0.000 1.898 306 A HA -0.087 4.232 4.320 -0.002 0.000 0.216 306 A C 2.317 179.900 177.584 -0.003 0.000 1.181 306 A CA 2.034 54.066 52.037 -0.008 0.000 0.620 306 A CB -1.628 17.364 19.000 -0.013 0.000 0.819 306 A HN 0.178 nan 8.150 nan 0.000 0.442 307 A N -0.292 122.524 122.820 -0.007 0.000 1.883 307 A HA -0.201 4.117 4.320 -0.002 0.000 0.217 307 A C 2.271 179.848 177.584 -0.011 0.000 1.186 307 A CA 1.851 53.884 52.037 -0.006 0.000 0.624 307 A CB -0.530 18.465 19.000 -0.009 0.000 0.822 307 A HN 0.528 nan 8.150 nan 0.000 0.444 308 R N -1.060 119.431 120.500 -0.015 0.000 2.120 308 R HA -0.195 4.144 4.340 -0.002 0.000 0.234 308 R C 2.395 178.697 176.300 0.004 0.000 1.123 308 R CA 1.772 57.863 56.100 -0.015 0.000 0.975 308 R CB -0.181 30.109 30.300 -0.016 0.000 0.866 308 R HN 0.590 nan 8.270 nan 0.000 0.446 309 Q N 0.648 120.452 119.800 0.006 0.000 2.079 309 Q HA -0.159 4.180 4.340 -0.002 0.000 0.200 309 Q C 1.979 177.995 176.000 0.026 0.000 0.974 309 Q CA 1.815 57.626 55.803 0.013 0.000 0.840 309 Q CB -0.172 28.571 28.738 0.008 0.000 0.898 309 Q HN 0.240 nan 8.270 nan 0.000 0.430 310 R N -0.706 119.811 120.500 0.029 0.000 2.092 310 R HA -0.050 4.289 4.340 -0.002 0.000 0.231 310 R C 1.995 178.341 176.300 0.076 0.000 1.119 310 R CA 1.266 57.392 56.100 0.044 0.000 0.970 310 R CB -0.408 29.914 30.300 0.038 0.000 0.864 310 R HN 0.316 nan 8.270 nan 0.000 0.440 311 A N -0.155 122.711 122.820 0.078 0.000 1.972 311 A HA -0.150 4.169 4.320 -0.002 0.000 0.219 311 A C 2.142 179.845 177.584 0.200 0.000 1.169 311 A CA 1.794 53.923 52.037 0.153 0.000 0.635 311 A CB -0.657 18.359 19.000 0.027 0.000 0.810 311 A HN 0.458 nan 8.150 nan 0.000 0.446 312 S N -0.389 115.372 115.700 0.102 0.000 2.368 312 S HA -0.157 4.312 4.470 -0.002 0.000 0.224 312 S C 1.647 176.282 174.600 0.059 0.000 1.029 312 S CA 1.480 59.728 58.200 0.080 0.000 0.988 312 S CB -0.462 62.761 63.200 0.038 0.000 0.838 312 S HN 0.570 nan 8.310 nan 0.000 0.462 313 D N 1.078 121.507 120.400 0.048 0.000 2.144 313 D HA -0.073 4.566 4.640 -0.002 0.000 0.199 313 D C 1.965 178.269 176.300 0.006 0.000 0.984 313 D CA 1.020 55.033 54.000 0.022 0.000 0.834 313 D CB -0.277 40.540 40.800 0.027 0.000 0.955 313 D HN 0.630 nan 8.370 nan 0.000 0.465 314 E N 0.112 120.335 120.200 0.039 0.000 2.072 314 E HA -0.136 4.213 4.350 -0.002 0.000 0.191 314 E C 2.055 178.517 176.600 -0.231 0.000 0.985 314 E CA 0.228 56.600 56.400 -0.047 0.000 0.801 314 E CB -0.018 29.749 29.700 0.112 0.000 0.750 314 E HN 0.085 nan 8.360 nan 0.000 0.452 315 L N 1.112 122.277 121.223 -0.098 0.000 2.046 315 L HA -0.098 4.241 4.340 -0.002 0.000 0.208 315 L C 2.176 178.944 176.870 -0.171 0.000 1.077 315 L CA 1.930 56.654 54.840 -0.193 0.000 0.747 315 L CB -0.719 41.415 42.059 0.124 0.000 0.896 315 L HN 0.028 nan 8.230 nan 0.000 0.432 316 A N -1.399 121.364 122.820 -0.094 0.000 1.908 316 A HA -0.209 4.110 4.320 -0.002 0.000 0.218 316 A C 2.404 179.916 177.584 -0.119 0.000 1.181 316 A CA 2.108 54.091 52.037 -0.090 0.000 0.627 316 A CB -0.994 17.974 19.000 -0.054 0.000 0.818 316 A HN 0.533 nan 8.150 nan 0.000 0.445 317 S N -0.480 115.148 115.700 -0.120 0.000 2.383 317 S HA -0.059 4.410 4.470 -0.002 0.000 0.227 317 S C 1.776 176.286 174.600 -0.150 0.000 1.026 317 S CA 1.296 59.431 58.200 -0.108 0.000 0.981 317 S CB -0.425 62.742 63.200 -0.056 0.000 0.818 317 S HN 0.531 nan 8.310 nan 0.000 0.472 318 I N 1.150 121.577 120.570 -0.238 0.000 2.252 318 I HA -0.186 3.983 4.170 -0.002 0.000 0.245 318 I C 2.685 178.634 176.117 -0.280 0.000 1.102 318 I CA 1.099 62.237 61.300 -0.270 0.000 1.385 318 I CB -0.190 37.533 38.000 -0.462 0.000 1.064 318 I HN 0.234 nan 8.210 nan 0.000 0.414 319 Q N 1.019 120.663 119.800 -0.259 0.000 2.167 319 Q HA -0.118 4.220 4.340 -0.002 0.000 0.202 319 Q C 2.113 177.964 176.000 -0.248 0.000 0.970 319 Q CA 1.878 57.519 55.803 -0.271 0.000 0.855 319 Q CB -0.245 28.374 28.738 -0.199 0.000 0.911 319 Q HN 0.496 nan 8.270 nan 0.000 0.438 320 A N -0.746 121.963 122.820 -0.186 0.000 1.933 320 A HA -0.121 4.198 4.320 -0.002 0.000 0.218 320 A C 2.215 179.705 177.584 -0.157 0.000 1.175 320 A CA 1.593 53.540 52.037 -0.150 0.000 0.628 320 A CB -0.714 18.219 19.000 -0.112 0.000 0.814 320 A HN 0.264 nan 8.150 nan 0.000 0.444 321 V N 0.132 119.948 119.914 -0.163 0.000 2.358 321 V HA -0.244 3.874 4.120 -0.002 0.000 0.246 321 V C 2.403 178.375 176.094 -0.203 0.000 1.047 321 V CA 1.936 64.162 62.300 -0.123 0.000 1.035 321 V CB -0.650 31.157 31.823 -0.027 0.000 0.658 321 V HN 0.574 nan 8.190 nan 0.000 0.452 322 I N 0.222 120.534 120.570 -0.430 0.000 2.226 322 I HA -0.234 3.935 4.170 -0.002 0.000 0.245 322 I C 2.254 178.139 176.117 -0.388 0.000 1.100 322 I CA 1.632 62.567 61.300 -0.608 0.000 1.374 322 I CB -0.502 36.927 38.000 -0.952 0.000 1.057 322 I HN 0.309 nan 8.210 nan 0.000 0.413 323 D N 1.098 121.311 120.400 -0.311 0.000 2.117 323 D HA -0.158 4.481 4.640 -0.002 0.000 0.197 323 D C 2.146 178.359 176.300 -0.146 0.000 0.987 323 D CA 1.183 55.053 54.000 -0.217 0.000 0.829 323 D CB -0.234 40.458 40.800 -0.180 0.000 0.961 323 D HN 0.269 nan 8.370 nan 0.000 0.460 324 K N 0.189 120.514 120.400 -0.125 0.000 2.152 324 K HA -0.112 4.207 4.320 -0.002 0.000 0.206 324 K C 1.625 178.190 176.600 -0.058 0.000 1.048 324 K CA 0.925 57.164 56.287 -0.080 0.000 0.933 324 K CB -0.025 32.434 32.500 -0.067 0.000 0.721 324 K HN 0.298 nan 8.250 nan 0.000 0.447 325 Q N 0.300 120.062 119.800 -0.063 0.000 2.246 325 Q HA 0.074 4.413 4.340 -0.002 0.000 0.202 325 Q C -0.669 175.313 176.000 -0.030 0.000 0.883 325 Q CA -0.123 55.671 55.803 -0.015 0.000 0.952 325 Q CB 0.714 29.483 28.738 0.052 0.000 1.078 325 Q HN 0.190 nan 8.270 nan 0.000 0.493 326 Q N -0.255 119.499 119.800 -0.078 0.000 2.439 326 Q HA -0.232 4.107 4.340 -0.002 0.000 0.325 326 Q C 0.909 176.861 176.000 -0.079 0.000 1.372 326 Q CA 0.064 55.819 55.803 -0.080 0.000 0.909 326 Q CB -1.368 27.348 28.738 -0.037 0.000 1.167 326 Q HN 0.692 nan 8.270 nan 0.000 0.418 327 G N -0.182 108.503 108.800 -0.192 0.000 2.408 327 G HA2 0.057 4.016 3.960 -0.002 0.000 0.217 327 G HA3 0.057 4.016 3.960 -0.002 0.000 0.217 327 G C 1.112 175.927 174.900 -0.142 0.000 1.150 327 G CA 0.679 45.653 45.100 -0.210 0.000 0.776 327 G HN 1.133 nan 8.290 nan 0.000 0.542 328 G N -1.326 107.318 108.800 -0.261 0.000 2.143 328 G HA2 -0.126 3.833 3.960 -0.002 0.000 0.249 328 G HA3 -0.126 3.833 3.960 -0.002 0.000 0.249 328 G C 0.190 175.087 174.900 -0.004 0.000 0.981 328 G CA 0.525 45.574 45.100 -0.085 0.000 0.665 328 G HN 1.357 nan 8.290 nan 0.000 0.528 329 F N -0.842 119.080 119.950 -0.046 0.000 2.599 329 F HA 0.865 5.391 4.527 -0.001 0.000 0.311 329 F C -0.025 175.719 175.800 -0.092 0.000 1.076 329 F CA -1.534 56.438 58.000 -0.046 0.000 0.937 329 F CB 1.031 40.023 39.000 -0.012 0.000 1.282 329 F HN 0.004 nan 8.300 nan 0.000 0.460 330 S N 1.457 117.219 115.700 0.103 0.000 2.545 330 S HA 0.598 5.067 4.470 -0.002 0.000 0.275 330 S C 0.166 174.817 174.600 0.084 0.000 1.299 330 S CA -0.355 57.843 58.200 -0.002 0.000 1.048 330 S CB 0.921 64.113 63.200 -0.014 0.000 0.938 330 S HN 0.983 nan 8.310 nan 0.000 0.496 331 A N 4.151 126.962 122.820 -0.015 0.000 2.567 331 A HA 0.184 4.503 4.320 -0.002 0.000 0.240 331 A C 0.467 177.963 177.584 -0.147 0.000 1.053 331 A CA 0.120 52.154 52.037 -0.005 0.000 0.755 331 A CB 0.091 19.056 19.000 -0.059 0.000 0.978 331 A HN 0.696 nan 8.150 nan 0.000 0.507 332 Q N 2.013 121.567 119.800 -0.409 0.000 2.252 332 Q HA 0.340 4.679 4.340 -0.002 0.000 0.256 332 Q C -1.890 173.659 176.000 -0.752 0.000 1.020 332 Q CA -2.071 53.214 55.803 -0.865 0.000 0.913 332 Q CB 0.185 27.714 28.738 -2.015 0.000 1.286 332 Q HN 0.384 nan 8.270 nan 0.000 0.480 333 P HA -0.132 nan 4.420 nan 0.000 0.218 333 P C 0.727 177.713 177.300 -0.523 0.000 1.148 333 P CA 1.480 64.215 63.100 -0.609 0.000 0.822 333 P CB -0.096 31.032 31.700 -0.954 0.000 0.784 334 W N -1.126 119.817 121.300 -0.595 0.000 3.077 334 W HA 0.169 4.828 4.660 -0.001 0.000 0.245 334 W C 0.466 176.967 176.519 -0.030 0.000 1.316 334 W CA 0.199 57.379 57.345 -0.275 0.000 1.537 334 W CB -1.045 28.287 29.460 -0.214 0.000 1.131 334 W HN -0.119 nan 8.180 nan 0.000 0.695 335 D N -0.592 119.759 120.400 -0.082 0.000 2.423 335 D HA -0.104 4.535 4.640 -0.002 0.000 0.208 335 D C 1.725 178.235 176.300 0.349 0.000 1.068 335 D CA 0.091 54.225 54.000 0.223 0.000 0.860 335 D CB -0.747 40.222 40.800 0.281 0.000 0.992 335 D HN 0.207 nan 8.370 nan 0.000 0.504 336 W N 2.785 124.108 121.300 0.038 0.000 2.315 336 W HA -0.250 4.409 4.660 -0.002 0.000 0.323 336 W C 2.112 178.662 176.519 0.051 0.000 1.233 336 W CA 2.406 59.766 57.345 0.025 0.000 1.267 336 W CB -0.385 29.007 29.460 -0.113 0.000 1.160 336 W HN -0.027 nan 8.180 nan 0.000 0.474 337 A N -0.144 122.896 122.820 0.367 0.000 1.902 337 A HA -0.240 4.079 4.320 -0.002 0.000 0.217 337 A C 1.935 179.634 177.584 0.191 0.000 1.181 337 A CA 1.719 53.917 52.037 0.269 0.000 0.623 337 A CB -1.587 17.541 19.000 0.212 0.000 0.818 337 A HN 0.390 nan 8.150 nan 0.000 0.443 338 F N -0.712 119.248 119.950 0.017 0.000 2.102 338 F HA -0.184 4.342 4.527 -0.001 0.000 0.298 338 F C 2.039 177.691 175.800 -0.246 0.000 1.105 338 F CA 1.807 59.724 58.000 -0.139 0.000 1.239 338 F CB -0.359 38.493 39.000 -0.247 0.000 0.991 338 F HN 0.288 nan 8.300 nan 0.000 0.474 339 Y N -0.061 120.276 120.300 0.062 0.000 2.395 339 Y HA 0.137 4.686 4.550 -0.002 0.000 0.293 339 Y C 2.476 178.298 175.900 -0.130 0.000 1.123 339 Y CA 0.706 58.748 58.100 -0.097 0.000 1.227 339 Y CB -1.154 37.298 38.460 -0.013 0.000 1.012 339 Y HN 0.150 nan 8.280 nan 0.000 0.552 340 A N 0.096 122.916 122.820 0.000 0.000 1.972 340 A HA -0.154 4.165 4.320 -0.002 0.000 0.219 340 A C 2.045 179.755 177.584 0.209 0.000 1.169 340 A CA 1.604 53.692 52.037 0.084 0.000 0.635 340 A CB -0.307 18.725 19.000 0.053 0.000 0.810 340 A HN 0.254 nan 8.150 nan 0.000 0.446 341 E N 0.076 120.301 120.200 0.042 0.000 2.208 341 E HA -0.149 4.200 4.350 -0.002 0.000 0.193 341 E C 2.075 178.610 176.600 -0.108 0.000 0.988 341 E CA 1.028 57.407 56.400 -0.035 0.000 0.828 341 E CB -0.316 29.332 29.700 -0.087 0.000 0.763 341 E HN 0.805 nan 8.360 nan 0.000 0.478 342 Q N 0.015 119.735 119.800 -0.134 0.000 2.187 342 Q HA -0.023 4.316 4.340 -0.002 0.000 0.199 342 Q C 2.284 178.245 176.000 -0.065 0.000 0.957 342 Q CA 0.785 56.516 55.803 -0.120 0.000 0.857 342 Q CB 0.169 28.837 28.738 -0.118 0.000 0.929 342 Q HN 0.094 nan 8.270 nan 0.000 0.453 343 V N 1.123 121.038 119.914 0.002 0.000 2.358 343 V HA -0.246 3.872 4.120 -0.002 0.000 0.246 343 V C 2.337 178.366 176.094 -0.109 0.000 1.047 343 V CA 1.773 64.091 62.300 0.030 0.000 1.035 343 V CB -0.568 31.389 31.823 0.225 0.000 0.658 343 V HN 0.311 nan 8.190 nan 0.000 0.452 344 R N 0.108 120.437 120.500 -0.284 0.000 2.105 344 R HA -0.242 4.097 4.340 -0.002 0.000 0.239 344 R C 2.453 178.627 176.300 -0.211 0.000 1.135 344 R CA 2.048 57.840 56.100 -0.512 0.000 0.967 344 R CB -0.184 29.735 30.300 -0.634 0.000 0.861 344 R HN 0.422 nan 8.270 nan 0.000 0.442 345 R N 0.927 121.329 120.500 -0.163 0.000 2.066 345 R HA -0.115 4.224 4.340 -0.002 0.000 0.232 345 R C 1.855 178.075 176.300 -0.134 0.000 1.131 345 R CA 2.077 58.104 56.100 -0.122 0.000 0.955 345 R CB -0.152 30.085 30.300 -0.105 0.000 0.851 345 R HN 0.333 nan 8.270 nan 0.000 0.432 346 E N -0.230 119.884 120.200 -0.144 0.000 2.077 346 E HA -0.165 4.183 4.350 -0.002 0.000 0.193 346 E C 1.641 178.100 176.600 -0.235 0.000 0.989 346 E CA 1.168 57.476 56.400 -0.154 0.000 0.800 346 E CB 0.109 29.733 29.700 -0.128 0.000 0.746 346 E HN 0.200 nan 8.360 nan 0.000 0.452 347 K N -0.358 119.824 120.400 -0.364 0.000 2.242 347 K HA 0.057 4.376 4.320 -0.002 0.000 0.200 347 K C 1.276 177.312 176.600 -0.940 0.000 1.050 347 K CA 0.735 56.608 56.287 -0.690 0.000 0.981 347 K CB 0.210 32.144 32.500 -0.943 0.000 0.795 347 K HN 0.158 nan 8.250 nan 0.000 0.477 348 F N 0.464 120.306 119.950 -0.181 0.000 2.746 348 F HA 0.161 4.686 4.527 -0.002 0.000 0.320 348 F C -0.210 175.498 175.800 -0.154 0.000 1.097 348 F CA -0.748 57.148 58.000 -0.173 0.000 1.195 348 F CB 0.350 39.210 39.000 -0.233 0.000 1.056 348 F HN -0.070 nan 8.300 nan 0.000 0.562 349 D N 2.054 122.424 120.400 -0.050 0.000 2.689 349 D HA -0.203 4.436 4.640 -0.002 0.000 0.237 349 D C -0.941 175.333 176.300 -0.043 0.000 1.148 349 D CA 0.680 54.647 54.000 -0.054 0.000 0.656 349 D CB -0.892 39.878 40.800 -0.050 0.000 1.050 349 D HN 0.230 nan 8.370 nan 0.000 0.426 350 L N 0.254 121.445 121.223 -0.053 0.000 2.545 350 L HA 0.553 4.892 4.340 -0.002 0.000 0.258 350 L C -1.787 175.035 176.870 -0.081 0.000 0.942 350 L CA -0.724 54.079 54.840 -0.063 0.000 0.855 350 L CB 2.077 44.093 42.059 -0.072 0.000 1.374 350 L HN 0.023 nan 8.230 nan 0.000 0.411 351 D N 2.085 122.449 120.400 -0.059 0.000 2.362 351 D HA 0.194 4.833 4.640 -0.002 0.000 0.247 351 D C 0.382 176.669 176.300 -0.021 0.000 1.050 351 D CA -0.219 53.750 54.000 -0.052 0.000 0.839 351 D CB 2.428 43.202 40.800 -0.042 0.000 1.283 351 D HN 0.762 nan 8.370 nan 0.000 0.477 352 E N 2.641 122.841 120.200 0.001 0.000 2.171 352 E HA -0.182 4.167 4.350 -0.002 0.000 0.197 352 E C 1.643 178.288 176.600 0.076 0.000 0.997 352 E CA 1.605 58.037 56.400 0.053 0.000 0.810 352 E CB -0.134 29.629 29.700 0.104 0.000 0.738 352 E HN 0.547 nan 8.360 nan 0.000 0.467 353 A N -0.065 122.788 122.820 0.056 0.000 2.172 353 A HA -0.173 4.146 4.320 -0.002 0.000 0.216 353 A C 1.872 179.488 177.584 0.052 0.000 1.154 353 A CA 1.188 53.260 52.037 0.059 0.000 0.701 353 A CB -0.337 18.690 19.000 0.045 0.000 0.789 353 A HN 0.320 nan 8.150 nan 0.000 0.465 354 Q N -0.610 119.216 119.800 0.043 0.000 2.311 354 Q HA 0.090 4.428 4.340 -0.002 0.000 0.203 354 Q C 1.590 177.646 176.000 0.094 0.000 0.954 354 Q CA 0.727 56.567 55.803 0.061 0.000 0.885 354 Q CB -0.131 28.626 28.738 0.032 0.000 0.963 354 Q HN 0.699 nan 8.270 nan 0.000 0.471 355 L N 0.194 121.443 121.223 0.044 0.000 2.307 355 L HA -0.032 4.306 4.340 -0.002 0.000 0.211 355 L C 2.338 179.084 176.870 -0.206 0.000 1.099 355 L CA 0.452 55.260 54.840 -0.053 0.000 0.816 355 L CB -0.368 41.684 42.059 -0.012 0.000 0.952 355 L HN 0.137 nan 8.230 nan 0.000 0.455 356 K N 1.382 121.761 120.400 -0.034 0.000 2.052 356 K HA -0.227 4.092 4.320 -0.002 0.000 0.215 356 K C -0.588 175.946 176.600 -0.109 0.000 1.053 356 K CA 2.184 58.469 56.287 -0.003 0.000 0.934 356 K CB -0.963 31.566 32.500 0.048 0.000 0.717 356 K HN 0.174 nan 8.250 nan 0.000 0.450 357 P HA -0.134 nan 4.420 nan 0.000 0.226 357 P C 0.072 177.015 177.300 -0.594 0.000 1.146 357 P CA 1.200 64.098 63.100 -0.337 0.000 0.773 357 P CB -0.037 31.336 31.700 -0.545 0.000 0.772 358 Y N -2.856 117.244 120.300 -0.333 0.000 2.457 358 Y HA 0.261 4.809 4.550 -0.002 0.000 0.263 358 Y C 0.756 176.562 175.900 -0.157 0.000 1.164 358 Y CA -0.032 57.866 58.100 -0.336 0.000 1.274 358 Y CB -0.395 37.784 38.460 -0.467 0.000 1.097 358 Y HN -0.103 nan 8.280 nan 0.000 0.523 359 F N 0.965 121.001 119.950 0.143 0.000 2.532 359 F HA 0.238 4.764 4.527 -0.002 0.000 0.313 359 F C 0.286 176.095 175.800 0.016 0.000 1.301 359 F CA -0.936 57.145 58.000 0.135 0.000 1.154 359 F CB 0.279 39.388 39.000 0.182 0.000 1.335 359 F HN -0.058 nan 8.300 nan 0.000 0.542 360 E N 1.572 121.864 120.200 0.152 0.000 2.289 360 E HA 0.080 4.429 4.350 -0.002 0.000 0.278 360 E C 1.095 177.682 176.600 -0.022 0.000 1.032 360 E CA -0.442 55.983 56.400 0.042 0.000 0.854 360 E CB 1.261 30.988 29.700 0.045 0.000 1.046 360 E HN 0.555 nan 8.360 nan 0.000 0.409 361 L N 5.724 126.895 121.223 -0.088 0.000 2.010 361 L HA -0.293 4.046 4.340 -0.002 0.000 0.219 361 L C 1.735 178.453 176.870 -0.254 0.000 1.077 361 L CA 2.470 57.175 54.840 -0.224 0.000 0.773 361 L CB -0.862 41.061 42.059 -0.227 0.000 0.892 361 L HN 0.746 nan 8.230 nan 0.000 0.436 362 N N -1.716 116.906 118.700 -0.130 0.000 2.166 362 N HA -0.167 4.572 4.740 -0.002 0.000 0.186 362 N C 1.618 177.054 175.510 -0.124 0.000 1.019 362 N CA 1.856 54.847 53.050 -0.100 0.000 0.856 362 N CB -0.163 38.340 38.487 0.026 0.000 0.993 362 N HN 0.520 nan 8.380 nan 0.000 0.426 363 T N -0.854 113.657 114.554 -0.072 0.000 2.857 363 T HA -0.013 4.336 4.350 -0.002 0.000 0.266 363 T C 1.934 176.575 174.700 -0.098 0.000 1.048 363 T CA 0.919 62.995 62.100 -0.040 0.000 1.139 363 T CB -0.254 68.637 68.868 0.038 0.000 0.874 363 T HN -0.001 nan 8.240 nan 0.000 0.455 364 V N 1.496 121.318 119.914 -0.154 0.000 2.407 364 V HA -0.089 4.030 4.120 -0.002 0.000 0.248 364 V C 2.343 178.080 176.094 -0.596 0.000 1.055 364 V CA 1.195 63.288 62.300 -0.344 0.000 1.049 364 V CB -0.625 30.980 31.823 -0.364 0.000 0.662 364 V HN 0.302 nan 8.190 nan 0.000 0.455 365 L N 0.591 121.427 121.223 -0.644 0.000 2.005 365 L HA -0.114 4.225 4.340 -0.002 0.000 0.207 365 L C 2.059 178.271 176.870 -1.096 0.000 1.072 365 L CA 2.224 56.452 54.840 -1.019 0.000 0.744 365 L CB -0.715 40.730 42.059 -1.024 0.000 0.895 365 L HN 0.332 nan 8.230 nan 0.000 0.433 366 N N -0.860 117.472 118.700 -0.613 0.000 2.135 366 N HA -0.141 4.598 4.740 -0.002 0.000 0.186 366 N C 1.541 176.992 175.510 -0.099 0.000 1.027 366 N CA 1.269 54.152 53.050 -0.279 0.000 0.849 366 N CB -0.079 38.400 38.487 -0.014 0.000 1.002 366 N HN 0.268 nan 8.380 nan 0.000 0.425 367 E N -0.783 119.364 120.200 -0.089 0.000 2.435 367 E HA 0.125 4.474 4.350 -0.002 0.000 0.195 367 E C 1.497 178.136 176.600 0.064 0.000 1.029 367 E CA 0.337 56.709 56.400 -0.046 0.000 0.865 367 E CB -0.030 29.629 29.700 -0.068 0.000 0.833 367 E HN 0.410 nan 8.360 nan 0.000 0.510 368 G N -0.679 108.087 108.800 -0.057 0.000 2.764 368 G HA2 -0.024 3.935 3.960 -0.002 0.000 0.218 368 G HA3 -0.024 3.935 3.960 -0.002 0.000 0.218 368 G C 1.481 176.285 174.900 -0.160 0.000 1.304 368 G CA 0.188 45.280 45.100 -0.013 0.000 0.847 368 G HN 0.106 nan 8.290 nan 0.000 0.610 369 V N 1.063 120.489 119.914 -0.814 0.000 2.261 369 V HA -0.074 4.045 4.120 -0.002 0.000 0.246 369 V C 2.617 178.366 176.094 -0.575 0.000 1.047 369 V CA 1.602 63.313 62.300 -0.982 0.000 1.015 369 V CB -0.680 30.309 31.823 -1.390 0.000 0.642 369 V HN 0.238 nan 8.190 nan 0.000 0.446 370 F N -1.256 118.213 119.950 -0.801 0.000 2.146 370 F HA -0.130 4.396 4.527 -0.002 0.000 0.298 370 F C 2.173 177.871 175.800 -0.170 0.000 1.096 370 F CA 0.751 58.241 58.000 -0.850 0.000 1.275 370 F CB -1.286 36.956 39.000 -1.263 0.000 1.008 370 F HN 0.271 nan 8.300 nan 0.000 0.480 371 W N 1.391 122.670 121.300 -0.036 0.000 2.358 371 W HA -0.214 4.445 4.660 -0.002 0.000 0.303 371 W C 2.400 178.940 176.519 0.036 0.000 1.208 371 W CA 2.674 60.046 57.345 0.045 0.000 1.274 371 W CB -0.691 28.794 29.460 0.041 0.000 1.138 371 W HN -0.114 nan 8.180 nan 0.000 0.515 372 T N 0.332 114.959 114.554 0.122 0.000 2.746 372 T HA -0.185 4.164 4.350 -0.002 0.000 0.267 372 T C 1.950 176.512 174.700 -0.229 0.000 1.039 372 T CA 1.969 63.979 62.100 -0.150 0.000 1.142 372 T CB -0.932 67.938 68.868 0.003 0.000 0.866 372 T HN 0.223 nan 8.240 nan 0.000 0.444 373 A N 2.120 124.994 122.820 0.090 0.000 1.933 373 A HA -0.157 4.162 4.320 -0.002 0.000 0.218 373 A C 2.241 179.964 177.584 0.231 0.000 1.175 373 A CA 1.721 53.980 52.037 0.371 0.000 0.628 373 A CB -0.788 18.641 19.000 0.715 0.000 0.814 373 A HN 0.615 nan 8.150 nan 0.000 0.444 374 N N -0.832 117.931 118.700 0.106 0.000 2.106 374 N HA -0.193 4.546 4.740 -0.002 0.000 0.188 374 N C 1.597 176.990 175.510 -0.196 0.000 1.029 374 N CA 1.440 54.501 53.050 0.019 0.000 0.848 374 N CB -0.227 38.263 38.487 0.004 0.000 1.007 374 N HN 0.400 nan 8.380 nan 0.000 0.423 375 Q N 0.518 120.027 119.800 -0.486 0.000 2.226 375 Q HA -0.026 4.313 4.340 -0.002 0.000 0.204 375 Q C 2.143 177.866 176.000 -0.463 0.000 0.975 375 Q CA 0.705 56.166 55.803 -0.571 0.000 0.866 375 Q CB -0.040 28.143 28.738 -0.925 0.000 0.915 375 Q HN 0.533 nan 8.270 nan 0.000 0.440 376 L N -1.803 119.086 121.223 -0.557 0.000 2.189 376 L HA 0.027 4.366 4.340 -0.002 0.000 0.199 376 L C 1.334 177.801 176.870 -0.672 0.000 1.074 376 L CA 0.593 54.973 54.840 -0.766 0.000 0.783 376 L CB -0.054 41.199 42.059 -1.344 0.000 0.955 376 L HN 0.084 nan 8.230 nan 0.000 0.460 377 F N -0.783 119.200 119.950 0.054 0.000 2.704 377 F HA 0.379 4.905 4.527 -0.002 0.000 0.304 377 F C 1.656 177.532 175.800 0.127 0.000 1.094 377 F CA 0.260 58.317 58.000 0.095 0.000 1.275 377 F CB -0.239 38.901 39.000 0.233 0.000 1.073 377 F HN 0.111 nan 8.300 nan 0.000 0.586 378 G N 1.871 110.779 108.800 0.181 0.000 2.155 378 G HA2 -0.330 3.629 3.960 -0.002 0.000 0.257 378 G HA3 -0.330 3.629 3.960 -0.002 0.000 0.257 378 G C 0.436 175.460 174.900 0.207 0.000 0.983 378 G CA 0.390 45.592 45.100 0.170 0.000 0.676 378 G HN 0.531 nan 8.290 nan 0.000 0.528 379 I N -2.326 118.381 120.570 0.228 0.000 2.720 379 I HA 0.721 4.890 4.170 -0.002 0.000 0.287 379 I C 0.312 176.407 176.117 -0.037 0.000 1.090 379 I CA -0.526 60.818 61.300 0.072 0.000 1.384 379 I CB 0.773 38.755 38.000 -0.029 0.000 1.420 379 I HN -0.019 nan 8.210 nan 0.000 0.575 380 K N 3.511 123.834 120.400 -0.128 0.000 2.395 380 K HA 0.666 4.985 4.320 -0.002 0.000 0.247 380 K C -1.597 174.875 176.600 -0.214 0.000 0.973 380 K CA -0.549 55.729 56.287 -0.014 0.000 0.828 380 K CB 2.198 34.764 32.500 0.110 0.000 1.272 380 K HN 0.398 nan 8.250 nan 0.000 0.439 381 F N 0.386 120.351 119.950 0.024 0.000 2.532 381 F HA 0.481 5.007 4.527 -0.002 0.000 0.321 381 F C -0.484 175.424 175.800 0.179 0.000 1.089 381 F CA -1.042 56.940 58.000 -0.030 0.000 0.926 381 F CB 1.819 40.482 39.000 -0.561 0.000 1.168 381 F HN -0.014 nan 8.300 nan 0.000 0.459 382 V N 1.528 121.715 119.914 0.454 0.000 2.525 382 V HA 0.316 4.434 4.120 -0.002 0.000 0.299 382 V C -0.388 175.871 176.094 0.274 0.000 1.034 382 V CA -1.041 61.480 62.300 0.368 0.000 0.863 382 V CB 1.625 33.665 31.823 0.362 0.000 0.999 382 V HN 0.787 nan 8.190 nan 0.000 0.423 383 E N 4.524 124.797 120.200 0.122 0.000 2.338 383 E HA 0.433 4.782 4.350 -0.002 0.000 0.272 383 E C -0.410 175.827 176.600 -0.604 0.000 1.029 383 E CA -0.493 55.630 56.400 -0.462 0.000 0.872 383 E CB 0.872 30.203 29.700 -0.615 0.000 1.015 383 E HN 0.560 nan 8.360 nan 0.000 0.417 384 R N 3.214 123.252 120.500 -0.770 0.000 2.778 384 R HA 0.353 4.692 4.340 -0.002 0.000 0.277 384 R C -0.503 175.228 176.300 -0.948 0.000 0.977 384 R CA -0.579 55.131 56.100 -0.650 0.000 0.950 384 R CB 0.947 31.074 30.300 -0.288 0.000 1.165 384 R HN 0.559 nan 8.270 nan 0.000 0.474 385 F N 0.102 120.000 119.950 -0.087 0.000 2.724 385 F HA 0.120 4.646 4.527 -0.002 0.000 0.310 385 F C 0.863 176.633 175.800 -0.050 0.000 1.107 385 F CA -0.449 57.501 58.000 -0.082 0.000 1.218 385 F CB 0.595 39.559 39.000 -0.061 0.000 1.042 385 F HN 0.499 nan 8.300 nan 0.000 0.540 386 D N -0.199 120.227 120.400 0.043 0.000 2.402 386 D HA 0.171 4.809 4.640 -0.002 0.000 0.216 386 D C 0.110 176.414 176.300 0.007 0.000 1.128 386 D CA 0.277 54.302 54.000 0.043 0.000 0.833 386 D CB 0.440 41.268 40.800 0.046 0.000 0.971 386 D HN 0.096 nan 8.370 nan 0.000 0.503 387 I N 1.840 122.390 120.570 -0.032 0.000 2.378 387 I HA 0.298 4.467 4.170 -0.002 0.000 0.291 387 I C -2.292 173.838 176.117 0.021 0.000 0.992 387 I CA -2.476 58.806 61.300 -0.032 0.000 1.154 387 I CB 1.600 39.537 38.000 -0.104 0.000 1.315 387 I HN -0.295 nan 8.210 nan 0.000 0.448 388 P HA 0.236 nan 4.420 nan 0.000 0.268 388 P C -0.966 176.520 177.300 0.309 0.000 1.204 388 P CA -0.226 62.974 63.100 0.167 0.000 0.768 388 P CB 0.487 32.294 31.700 0.178 0.000 0.842 389 V N 1.015 121.034 119.914 0.175 0.000 2.960 389 V HA 0.409 4.528 4.120 -0.002 0.000 0.315 389 V C 0.661 176.663 176.094 -0.153 0.000 1.087 389 V CA -0.679 61.631 62.300 0.016 0.000 0.982 389 V CB 1.447 33.176 31.823 -0.157 0.000 1.039 389 V HN 0.594 nan 8.190 nan 0.000 0.437 390 Y N -0.460 119.513 120.300 -0.545 0.000 2.519 390 Y HA 0.422 4.971 4.550 -0.002 0.000 0.287 390 Y C 0.960 176.667 175.900 -0.321 0.000 1.128 390 Y CA 0.640 58.472 58.100 -0.447 0.000 1.282 390 Y CB -0.168 37.858 38.460 -0.723 0.000 1.027 390 Y HN 0.848 nan 8.280 nan 0.000 0.551 391 H N 1.716 120.284 119.070 -0.837 0.000 2.954 391 H HA 0.193 4.748 4.556 -0.002 0.000 0.361 391 H C -2.319 172.749 175.328 -0.433 0.000 1.122 391 H CA -2.235 53.404 56.048 -0.683 0.000 1.217 391 H CB 2.777 32.007 29.762 -0.886 0.000 1.776 391 H HN -0.163 nan 8.280 nan 0.000 0.533 392 P HA -0.130 nan 4.420 nan 0.000 0.222 392 P C 0.390 177.686 177.300 -0.007 0.000 1.142 392 P CA 1.036 64.014 63.100 -0.204 0.000 0.788 392 P CB 0.538 32.094 31.700 -0.240 0.000 0.767 393 D N -0.603 119.936 120.400 0.231 0.000 2.348 393 D HA 0.026 4.665 4.640 -0.002 0.000 0.211 393 D C 0.579 176.901 176.300 0.037 0.000 0.998 393 D CA 0.176 54.286 54.000 0.183 0.000 0.873 393 D CB 0.002 40.961 40.800 0.266 0.000 0.925 393 D HN 0.054 nan 8.370 nan 0.000 0.524 394 V N 2.013 121.853 119.914 -0.123 0.000 2.529 394 V HA 0.055 4.173 4.120 -0.002 0.000 0.292 394 V C 0.865 176.848 176.094 -0.184 0.000 1.028 394 V CA 0.150 62.304 62.300 -0.243 0.000 1.074 394 V CB 0.524 32.068 31.823 -0.464 0.000 0.958 394 V HN -0.078 nan 8.190 nan 0.000 0.481 395 R N 3.079 123.460 120.500 -0.198 0.000 2.668 395 R HA 0.815 5.154 4.340 -0.002 0.000 0.279 395 R C -1.296 174.686 176.300 -0.531 0.000 0.976 395 R CA -0.736 55.130 56.100 -0.391 0.000 0.978 395 R CB 2.141 32.171 30.300 -0.450 0.000 1.133 395 R HN 0.519 nan 8.270 nan 0.000 0.484 396 V N 1.748 121.188 119.914 -0.790 0.000 2.638 396 V HA 0.467 4.586 4.120 -0.002 0.000 0.306 396 V C -0.856 174.866 176.094 -0.620 0.000 1.052 396 V CA -0.855 61.069 62.300 -0.627 0.000 0.885 396 V CB 1.945 33.381 31.823 -0.644 0.000 0.999 396 V HN 0.636 nan 8.190 nan 0.000 0.424 397 W N 1.984 123.238 121.300 -0.077 0.000 2.844 397 W HA 0.557 5.216 4.660 -0.002 0.000 0.340 397 W C -0.219 176.266 176.519 -0.056 0.000 1.093 397 W CA -0.580 56.773 57.345 0.014 0.000 1.212 397 W CB 2.377 31.963 29.460 0.210 0.000 1.422 397 W HN 0.602 nan 8.180 nan 0.000 0.515 398 E N 2.207 122.471 120.200 0.107 0.000 2.191 398 E HA 0.454 4.803 4.350 -0.002 0.000 0.278 398 E C -0.867 175.559 176.600 -0.289 0.000 0.972 398 E CA -0.391 55.900 56.400 -0.181 0.000 0.804 398 E CB 1.145 30.704 29.700 -0.234 0.000 1.110 398 E HN 0.323 nan 8.360 nan 0.000 0.394 399 I N 4.724 125.000 120.570 -0.490 0.000 2.359 399 I HA 0.308 4.477 4.170 -0.002 0.000 0.294 399 I C -0.693 175.036 176.117 -0.647 0.000 0.987 399 I CA -0.649 60.315 61.300 -0.561 0.000 1.225 399 I CB 0.685 38.368 38.000 -0.527 0.000 1.366 399 I HN 0.463 nan 8.210 nan 0.000 0.466 400 F N 3.075 122.876 119.950 -0.248 0.000 2.522 400 F HA 0.366 4.892 4.527 -0.002 0.000 0.324 400 F C 0.575 176.295 175.800 -0.133 0.000 1.077 400 F CA -0.691 57.232 58.000 -0.128 0.000 0.944 400 F CB 1.218 40.174 39.000 -0.072 0.000 1.175 400 F HN 0.393 nan 8.300 nan 0.000 0.468 401 D N 0.393 120.847 120.400 0.091 0.000 2.398 401 D HA 0.022 4.660 4.640 -0.002 0.000 0.247 401 D C 1.270 177.544 176.300 -0.042 0.000 1.227 401 D CA 0.125 54.108 54.000 -0.029 0.000 0.980 401 D CB 0.638 41.331 40.800 -0.179 0.000 1.106 401 D HN 0.739 nan 8.370 nan 0.000 0.493 402 H N -0.184 118.955 119.070 0.115 0.000 2.422 402 H HA -0.096 4.459 4.556 -0.002 0.000 0.298 402 H C 1.072 176.440 175.328 0.067 0.000 1.098 402 H CA 1.946 58.045 56.048 0.084 0.000 1.315 402 H CB -0.660 29.146 29.762 0.074 0.000 1.382 402 H HN 0.422 nan 8.280 nan 0.000 0.523 403 N N -0.134 118.481 118.700 -0.141 0.000 2.383 403 N HA 0.076 4.815 4.740 -0.002 0.000 0.192 403 N C 1.031 176.545 175.510 0.006 0.000 1.141 403 N CA 0.283 53.349 53.050 0.026 0.000 0.851 403 N CB 0.371 38.855 38.487 -0.005 0.000 0.976 403 N HN 0.566 nan 8.380 nan 0.000 0.465 404 G N 0.277 109.082 108.800 0.009 0.000 2.179 404 G HA2 -0.284 3.674 3.960 -0.002 0.000 0.260 404 G HA3 -0.284 3.674 3.960 -0.002 0.000 0.260 404 G C 0.007 174.986 174.900 0.131 0.000 0.977 404 G CA 0.171 45.285 45.100 0.023 0.000 0.641 404 G HN 0.244 nan 8.290 nan 0.000 0.533 405 V N 1.500 121.482 119.914 0.112 0.000 2.555 405 V HA 0.554 4.673 4.120 -0.002 0.000 0.286 405 V C 1.474 177.708 176.094 0.234 0.000 1.044 405 V CA 0.174 62.565 62.300 0.150 0.000 1.026 405 V CB 1.288 33.149 31.823 0.063 0.000 0.981 405 V HN 0.764 nan 8.190 nan 0.000 0.480 406 G N 4.270 113.225 108.800 0.257 0.000 2.334 406 G HA2 0.305 4.264 3.960 -0.002 0.000 0.261 406 G HA3 0.305 4.264 3.960 -0.002 0.000 0.261 406 G C 0.635 175.559 174.900 0.039 0.000 1.257 406 G CA -0.280 44.825 45.100 0.008 0.000 0.935 406 G HN 0.736 nan 8.290 nan 0.000 0.480 407 L N 1.658 122.845 121.223 -0.060 0.000 2.221 407 L HA 0.427 4.766 4.340 -0.002 0.000 0.202 407 L C 1.469 178.372 176.870 0.054 0.000 1.074 407 L CA 1.184 56.046 54.840 0.036 0.000 0.795 407 L CB -0.118 41.893 42.059 -0.080 0.000 0.960 407 L HN 0.693 nan 8.230 nan 0.000 0.458 408 A N -1.039 121.620 122.820 -0.267 0.000 2.467 408 A HA 0.583 4.902 4.320 -0.002 0.000 0.301 408 A C -2.217 174.842 177.584 -0.875 0.000 1.126 408 A CA -0.449 51.273 52.037 -0.524 0.000 0.632 408 A CB 0.987 19.853 19.000 -0.224 0.000 1.331 408 A HN -0.111 nan 8.150 nan 0.000 0.482 409 L N 0.354 121.174 121.223 -0.671 0.000 2.362 409 L HA 0.792 5.131 4.340 -0.002 0.000 0.275 409 L C -1.197 175.771 176.870 0.165 0.000 0.998 409 L CA -0.423 54.217 54.840 -0.333 0.000 0.820 409 L CB 1.299 43.191 42.059 -0.279 0.000 1.270 409 L HN 0.673 nan 8.230 nan 0.000 0.415 410 F N 4.302 124.311 119.950 0.097 0.000 2.493 410 F HA 0.585 5.111 4.527 -0.002 0.000 0.329 410 F C -1.386 174.673 175.800 0.431 0.000 1.126 410 F CA -0.538 57.653 58.000 0.318 0.000 0.937 410 F CB 1.073 40.269 39.000 0.325 0.000 1.146 410 F HN 0.359 nan 8.300 nan 0.000 0.442 411 Y N 3.557 123.654 120.300 -0.339 0.000 2.360 411 Y HA 0.621 5.169 4.550 -0.002 0.000 0.337 411 Y C 0.437 175.913 175.900 -0.706 0.000 1.039 411 Y CA -1.493 56.442 58.100 -0.275 0.000 1.109 411 Y CB 2.044 40.571 38.460 0.110 0.000 1.201 411 Y HN 0.714 nan 8.280 nan 0.000 0.458 412 G N 1.802 110.399 108.800 -0.337 0.000 2.557 412 G HA2 0.415 4.373 3.960 -0.002 0.000 0.310 412 G HA3 0.415 4.373 3.960 -0.002 0.000 0.310 412 G C -1.662 172.637 174.900 -1.002 0.000 1.328 412 G CA -0.522 44.112 45.100 -0.777 0.000 0.945 412 G HN 0.489 nan 8.290 nan 0.000 0.494 413 D N 2.509 122.251 120.400 -1.096 0.000 2.408 413 D HA 0.309 4.948 4.640 -0.002 0.000 0.261 413 D C 0.139 175.983 176.300 -0.761 0.000 1.190 413 D CA -0.796 52.778 54.000 -0.710 0.000 0.910 413 D CB 0.528 41.102 40.800 -0.378 0.000 1.097 413 D HN 0.208 nan 8.370 nan 0.000 0.522 414 F N 1.310 121.022 119.950 -0.396 0.000 2.746 414 F HA 0.357 4.882 4.527 -0.002 0.000 0.297 414 F C 0.606 175.990 175.800 -0.694 0.000 1.113 414 F CA -0.277 57.335 58.000 -0.646 0.000 1.367 414 F CB 0.066 38.662 39.000 -0.674 0.000 1.111 414 F HN 0.116 nan 8.300 nan 0.000 0.590 415 F N 0.483 120.437 119.950 0.007 0.000 2.458 415 F HA 0.657 5.184 4.527 -0.001 0.000 0.330 415 F C 0.641 176.414 175.800 -0.045 0.000 1.082 415 F CA -1.746 56.261 58.000 0.011 0.000 0.995 415 F CB 0.745 39.777 39.000 0.054 0.000 1.170 415 F HN -0.209 nan 8.300 nan 0.000 0.478 416 A N 3.372 126.324 122.820 0.220 0.000 2.483 416 A HA 0.616 4.935 4.320 -0.002 0.000 0.238 416 A C -0.045 177.601 177.584 0.103 0.000 1.070 416 A CA -0.206 51.907 52.037 0.127 0.000 0.770 416 A CB 0.165 19.245 19.000 0.134 0.000 1.008 416 A HN 0.944 nan 8.150 nan 0.000 0.497 417 R N 0.564 121.109 120.500 0.075 0.000 2.690 417 R HA 0.368 4.706 4.340 -0.002 0.000 0.269 417 R C -1.097 175.246 176.300 0.072 0.000 1.037 417 R CA -0.744 55.396 56.100 0.066 0.000 0.877 417 R CB 0.378 30.702 30.300 0.041 0.000 1.255 417 R HN 0.339 nan 8.270 nan 0.000 0.467 418 D N 0.584 121.025 120.400 0.067 0.000 2.221 418 D HA -0.147 4.492 4.640 -0.002 0.000 0.204 418 D C 1.416 177.746 176.300 0.051 0.000 0.982 418 D CA 2.307 56.337 54.000 0.051 0.000 0.857 418 D CB 0.075 40.898 40.800 0.038 0.000 0.934 418 D HN 0.603 nan 8.370 nan 0.000 0.475 419 S N -1.141 114.607 115.700 0.080 0.000 2.593 419 S HA -0.001 4.468 4.470 -0.002 0.000 0.217 419 S C 0.784 175.446 174.600 0.104 0.000 0.966 419 S CA -0.273 57.972 58.200 0.074 0.000 0.914 419 S CB 0.215 63.475 63.200 0.101 0.000 0.776 419 S HN 0.063 nan 8.310 nan 0.000 0.523 420 K N 1.658 122.131 120.400 0.121 0.000 2.206 420 K HA 0.474 4.793 4.320 -0.002 0.000 0.264 420 K C -0.603 176.101 176.600 0.172 0.000 0.967 420 K CA -0.447 55.945 56.287 0.175 0.000 0.844 420 K CB 1.377 33.977 32.500 0.167 0.000 1.099 420 K HN 0.090 nan 8.250 nan 0.000 0.441 421 S N 1.265 117.082 115.700 0.195 0.000 2.589 421 S HA 0.194 4.663 4.470 -0.002 0.000 0.265 421 S C 0.410 175.162 174.600 0.254 0.000 1.342 421 S CA -0.409 57.853 58.200 0.105 0.000 1.005 421 S CB 1.015 64.138 63.200 -0.130 0.000 0.909 421 S HN 0.777 nan 8.310 nan 0.000 0.555 422 G N -0.535 108.369 108.800 0.174 0.000 2.599 422 G HA2 0.544 4.503 3.960 -0.002 0.000 0.264 422 G HA3 0.544 4.503 3.960 -0.002 0.000 0.264 422 G C 0.568 175.665 174.900 0.329 0.000 1.200 422 G CA 0.061 45.297 45.100 0.227 0.000 0.896 422 G HN 1.211 nan 8.290 nan 0.000 0.536 423 G N -0.837 108.139 108.800 0.293 0.000 2.499 423 G HA2 0.427 4.386 3.960 -0.002 0.000 0.232 423 G HA3 0.427 4.386 3.960 -0.002 0.000 0.232 423 G C 0.027 175.102 174.900 0.292 0.000 1.251 423 G CA 0.456 45.742 45.100 0.310 0.000 0.917 423 G HN 2.380 nan 8.290 nan 0.000 0.580 424 A N -1.257 121.774 122.820 0.352 0.000 2.574 424 A HA 0.908 5.227 4.320 -0.002 0.000 0.297 424 A C -0.899 176.936 177.584 0.418 0.000 1.062 424 A CA 0.649 52.786 52.037 0.167 0.000 0.686 424 A CB 1.059 20.102 19.000 0.072 0.000 1.285 424 A HN 2.446 nan 8.150 nan 0.000 0.403 425 W N 0.533 121.905 121.300 0.121 0.000 2.959 425 W HA 0.795 5.454 4.660 -0.002 0.000 0.358 425 W C -1.510 175.077 176.519 0.113 0.000 1.228 425 W CA -0.756 56.666 57.345 0.128 0.000 1.183 425 W CB 1.218 30.730 29.460 0.086 0.000 1.467 425 W HN 0.760 nan 8.180 nan 0.000 0.578 426 M N 2.484 122.221 119.600 0.227 0.000 2.518 426 M HA 0.788 5.267 4.480 -0.002 0.000 0.300 426 M C -0.925 175.261 176.300 -0.190 0.000 1.175 426 M CA -0.191 55.087 55.300 -0.037 0.000 0.890 426 M CB 1.811 34.393 32.600 -0.029 0.000 1.710 426 M HN 1.104 nan 8.290 nan 0.000 0.453 427 G N 2.582 110.893 108.800 -0.815 0.000 2.645 427 G HA2 0.448 4.407 3.960 -0.002 0.000 0.292 427 G HA3 0.448 4.407 3.960 -0.002 0.000 0.292 427 G C -1.940 172.215 174.900 -1.243 0.000 1.415 427 G CA -0.702 43.821 45.100 -0.962 0.000 0.785 427 G HN 0.727 nan 8.290 nan 0.000 0.483 428 N N -0.399 117.952 118.700 -0.581 0.000 2.284 428 N HA 0.385 5.123 4.740 -0.002 0.000 0.300 428 N C -0.227 175.292 175.510 0.016 0.000 1.047 428 N CA -0.574 52.303 53.050 -0.289 0.000 0.821 428 N CB 2.147 40.568 38.487 -0.109 0.000 1.337 428 N HN 0.214 nan 8.380 nan 0.000 0.482 429 F N 0.665 120.728 119.950 0.188 0.000 2.473 429 F HA 0.135 4.660 4.527 -0.002 0.000 0.294 429 F C 0.981 176.864 175.800 0.138 0.000 1.103 429 F CA 0.143 58.263 58.000 0.200 0.000 1.442 429 F CB 0.466 39.542 39.000 0.127 0.000 1.097 429 F HN 0.176 nan 8.300 nan 0.000 0.547 430 V N 0.065 120.143 119.914 0.273 0.000 2.789 430 V HA 0.318 4.437 4.120 -0.002 0.000 0.300 430 V C -0.830 175.334 176.094 0.116 0.000 1.184 430 V CA -0.833 61.577 62.300 0.184 0.000 0.930 430 V CB 1.675 33.611 31.823 0.190 0.000 1.041 430 V HN 0.109 nan 8.190 nan 0.000 0.430 431 E N 4.173 124.419 120.200 0.077 0.000 2.345 431 E HA 0.309 4.658 4.350 -0.002 0.000 0.259 431 E C -0.616 176.002 176.600 0.030 0.000 1.117 431 E CA -0.670 55.749 56.400 0.031 0.000 0.913 431 E CB 0.775 30.485 29.700 0.016 0.000 1.057 431 E HN 0.705 nan 8.360 nan 0.000 0.432 432 Q N 1.565 121.362 119.800 -0.006 0.000 2.314 432 Q HA 0.135 4.474 4.340 -0.002 0.000 0.258 432 Q C -1.226 174.755 176.000 -0.031 0.000 0.954 432 Q CA 0.136 55.923 55.803 -0.027 0.000 0.890 432 Q CB 1.309 30.014 28.738 -0.055 0.000 1.210 432 Q HN 0.463 nan 8.270 nan 0.000 0.410 433 S N 2.419 118.089 115.700 -0.049 0.000 2.481 433 S HA 0.126 4.595 4.470 -0.002 0.000 0.262 433 S C 0.574 175.127 174.600 -0.078 0.000 1.061 433 S CA 0.157 58.328 58.200 -0.048 0.000 1.039 433 S CB 0.063 63.260 63.200 -0.006 0.000 1.170 433 S HN 0.751 nan 8.310 nan 0.000 0.437 434 T N 3.251 117.741 114.554 -0.108 0.000 2.720 434 T HA -0.133 4.216 4.350 -0.002 0.000 0.268 434 T C 1.860 176.504 174.700 -0.093 0.000 1.037 434 T CA 1.573 63.606 62.100 -0.110 0.000 1.144 434 T CB -0.537 68.261 68.868 -0.116 0.000 0.864 434 T HN 0.534 nan 8.240 nan 0.000 0.444 435 L N 2.464 123.617 121.223 -0.118 0.000 1.934 435 L HA -0.091 4.248 4.340 -0.002 0.000 0.227 435 L C 1.893 178.743 176.870 -0.034 0.000 1.084 435 L CA 2.031 56.816 54.840 -0.090 0.000 0.790 435 L CB -1.060 40.936 42.059 -0.104 0.000 0.896 435 L HN 0.222 nan 8.230 nan 0.000 0.437 436 N N 0.695 119.388 118.700 -0.011 0.000 2.567 436 N HA -0.119 4.620 4.740 -0.002 0.000 0.195 436 N C -0.061 175.453 175.510 0.007 0.000 1.242 436 N CA 0.411 53.466 53.050 0.008 0.000 0.884 436 N CB -0.307 38.196 38.487 0.026 0.000 1.007 436 N HN 0.259 nan 8.380 nan 0.000 0.450 437 K N 1.043 121.435 120.400 -0.014 0.000 4.040 437 K HA -0.187 4.132 4.320 -0.002 0.000 0.279 437 K C -1.112 175.502 176.600 0.022 0.000 0.890 437 K CA 0.642 56.921 56.287 -0.012 0.000 0.782 437 K CB -1.569 30.933 32.500 0.004 0.000 1.613 437 K HN 0.381 nan 8.250 nan 0.000 0.440 438 T N -0.345 114.211 114.554 0.004 0.000 2.952 438 T HA 0.535 4.884 4.350 -0.002 0.000 0.305 438 T C -0.428 174.298 174.700 0.044 0.000 1.064 438 T CA -1.103 61.049 62.100 0.087 0.000 1.008 438 T CB 1.126 70.050 68.868 0.093 0.000 1.078 438 T HN 0.301 nan 8.240 nan 0.000 0.459 439 H N 1.369 120.496 119.070 0.096 0.000 2.509 439 H HA 0.578 5.133 4.556 -0.002 0.000 0.359 439 H C -2.491 172.902 175.328 0.109 0.000 1.253 439 H CA -1.702 54.420 56.048 0.122 0.000 1.373 439 H CB 0.332 30.246 29.762 0.254 0.000 1.555 439 H HN 0.411 nan 8.280 nan 0.000 0.586 440 P HA 0.166 nan 4.420 nan 0.000 0.284 440 P C -1.017 176.338 177.300 0.093 0.000 1.253 440 P CA -0.328 62.819 63.100 0.078 0.000 0.800 440 P CB 0.982 32.668 31.700 -0.024 0.000 0.961 441 V N 5.221 125.213 119.914 0.129 0.000 2.380 441 V HA 0.374 4.493 4.120 -0.002 0.000 0.286 441 V C 0.062 176.250 176.094 0.157 0.000 1.015 441 V CA -0.270 62.159 62.300 0.215 0.000 0.834 441 V CB 0.792 32.824 31.823 0.348 0.000 1.009 441 V HN 0.432 nan 8.190 nan 0.000 0.428 442 I N 5.421 126.076 120.570 0.143 0.000 2.562 442 I HA 0.619 4.788 4.170 -0.002 0.000 0.301 442 I C -0.692 175.451 176.117 0.043 0.000 1.003 442 I CA -0.905 60.383 61.300 -0.020 0.000 1.127 442 I CB 1.976 39.995 38.000 0.032 0.000 1.304 442 I HN 0.694 nan 8.210 nan 0.000 0.446 443 Y N 1.988 122.172 120.300 -0.193 0.000 2.536 443 Y HA 0.611 5.160 4.550 -0.002 0.000 0.347 443 Y C -1.160 174.642 175.900 -0.163 0.000 1.000 443 Y CA -1.096 56.848 58.100 -0.260 0.000 1.051 443 Y CB 0.984 39.150 38.460 -0.489 0.000 1.259 443 Y HN 0.429 nan 8.280 nan 0.000 0.468 444 N N 1.409 120.083 118.700 -0.044 0.000 2.296 444 N HA 0.644 5.383 4.740 -0.002 0.000 0.294 444 N C -1.936 173.388 175.510 -0.310 0.000 1.033 444 N CA -0.888 52.133 53.050 -0.048 0.000 0.839 444 N CB 2.643 41.264 38.487 0.224 0.000 1.395 444 N HN 0.422 nan 8.380 nan 0.000 0.479 445 V N 2.133 121.719 119.914 -0.547 0.000 2.487 445 V HA 0.495 4.614 4.120 -0.002 0.000 0.298 445 V C -0.223 175.400 176.094 -0.785 0.000 1.028 445 V CA -0.558 61.239 62.300 -0.839 0.000 0.860 445 V CB 1.142 32.093 31.823 -1.453 0.000 0.991 445 V HN 0.818 nan 8.190 nan 0.000 0.427 446 C N 2.951 121.885 119.300 -0.609 0.000 2.871 446 C HA 0.530 4.989 4.460 -0.002 0.000 0.351 446 C C 0.757 175.443 174.990 -0.506 0.000 1.338 446 C CA -0.853 57.803 59.018 -0.603 0.000 1.686 446 C CB 1.875 29.023 27.740 -0.988 0.000 2.135 446 C HN 0.924 nan 8.230 nan 0.000 0.476 447 N N -0.766 117.683 118.700 -0.419 0.000 2.553 447 N HA 0.324 5.063 4.740 -0.002 0.000 0.298 447 N C -1.256 174.286 175.510 0.054 0.000 1.596 447 N CA -0.197 52.784 53.050 -0.114 0.000 0.910 447 N CB 0.043 38.552 38.487 0.036 0.000 1.336 447 N HN 0.510 nan 8.380 nan 0.000 0.497 448 Y N 0.927 121.296 120.300 0.116 0.000 2.330 448 Y HA 0.124 4.673 4.550 -0.002 0.000 0.341 448 Y C 1.153 177.248 175.900 0.326 0.000 1.278 448 Y CA -0.892 57.314 58.100 0.176 0.000 1.453 448 Y CB 0.279 38.801 38.460 0.103 0.000 1.342 448 Y HN 0.136 nan 8.280 nan 0.000 0.590 449 Q N 1.990 122.050 119.800 0.435 0.000 2.288 449 Q HA 0.150 4.489 4.340 -0.002 0.000 0.258 449 Q C -0.581 175.551 176.000 0.219 0.000 0.957 449 Q CA -0.649 55.320 55.803 0.277 0.000 0.919 449 Q CB 0.564 29.402 28.738 0.166 0.000 1.185 449 Q HN 0.572 nan 8.270 nan 0.000 0.408 450 K N 6.015 126.398 120.400 -0.028 0.000 2.368 450 K HA 0.212 4.530 4.320 -0.002 0.000 0.282 450 K C -2.140 174.289 176.600 -0.285 0.000 1.035 450 K CA -1.319 54.630 56.287 -0.564 0.000 0.973 450 K CB 0.592 32.745 32.500 -0.578 0.000 0.957 450 K HN 0.447 nan 8.250 nan 0.000 0.474 451 P HA 0.089 nan 4.420 nan 0.000 0.275 451 P C -1.032 176.191 177.300 -0.129 0.000 1.266 451 P CA -0.537 62.477 63.100 -0.143 0.000 0.793 451 P CB 0.760 32.391 31.700 -0.116 0.000 1.074 452 A N 0.458 123.229 122.820 -0.081 0.000 2.366 452 A HA 0.485 4.803 4.320 -0.002 0.000 0.249 452 A C 0.550 178.098 177.584 -0.059 0.000 1.084 452 A CA -0.149 51.853 52.037 -0.057 0.000 0.794 452 A CB -0.668 18.312 19.000 -0.033 0.000 1.034 452 A HN 0.637 nan 8.150 nan 0.000 0.491 453 A N 0.235 123.029 122.820 -0.044 0.000 2.566 453 A HA 0.455 4.774 4.320 -0.002 0.000 0.245 453 A C 1.618 179.186 177.584 -0.027 0.000 1.056 453 A CA 0.921 52.936 52.037 -0.035 0.000 0.757 453 A CB -1.063 17.923 19.000 -0.024 0.000 0.979 453 A HN 2.752 nan 8.150 nan 0.000 0.508 454 G N 1.547 110.333 108.800 -0.024 0.000 2.199 454 G HA2 -0.178 3.781 3.960 -0.002 0.000 0.254 454 G HA3 -0.178 3.781 3.960 -0.002 0.000 0.254 454 G C 0.009 174.895 174.900 -0.022 0.000 0.982 454 G CA 0.438 45.530 45.100 -0.013 0.000 0.632 454 G HN 0.808 nan 8.290 nan 0.000 0.529 455 E N 1.274 121.444 120.200 -0.049 0.000 2.202 455 E HA 0.493 4.842 4.350 -0.002 0.000 0.272 455 E C -2.158 174.372 176.600 -0.118 0.000 0.951 455 E CA -1.783 54.562 56.400 -0.092 0.000 0.813 455 E CB 1.751 31.389 29.700 -0.102 0.000 1.151 455 E HN 0.278 nan 8.360 nan 0.000 0.398 456 P HA 0.119 nan 4.420 nan 0.000 0.271 456 P C -0.900 176.314 177.300 -0.143 0.000 1.218 456 P CA -0.341 62.645 63.100 -0.189 0.000 0.780 456 P CB 0.639 32.106 31.700 -0.388 0.000 0.901 457 A N 4.475 127.276 122.820 -0.032 0.000 2.527 457 A HA 0.361 4.680 4.320 -0.002 0.000 0.313 457 A C 0.436 178.025 177.584 0.007 0.000 1.410 457 A CA -0.506 51.566 52.037 0.058 0.000 1.060 457 A CB -0.931 18.232 19.000 0.270 0.000 1.137 457 A HN 0.491 nan 8.150 nan 0.000 0.542 458 L N 2.954 124.155 121.223 -0.037 0.000 2.334 458 L HA 0.453 4.792 4.340 -0.002 0.000 0.277 458 L C -0.143 176.735 176.870 0.013 0.000 1.075 458 L CA -0.346 54.478 54.840 -0.028 0.000 0.804 458 L CB 1.187 43.201 42.059 -0.075 0.000 1.174 458 L HN 0.531 nan 8.230 nan 0.000 0.438 459 L N 3.263 124.509 121.223 0.040 0.000 2.334 459 L HA 0.520 4.859 4.340 -0.002 0.000 0.272 459 L C -0.150 176.803 176.870 0.138 0.000 1.020 459 L CA -0.764 54.052 54.840 -0.039 0.000 0.812 459 L CB 1.825 43.737 42.059 -0.246 0.000 1.264 459 L HN 0.432 nan 8.230 nan 0.000 0.439 460 L N 0.680 121.946 121.223 0.072 0.000 2.439 460 L HA 0.081 4.420 4.340 -0.002 0.000 0.261 460 L C 1.065 178.036 176.870 0.169 0.000 1.153 460 L CA -0.081 54.873 54.840 0.190 0.000 0.808 460 L CB 1.005 43.150 42.059 0.144 0.000 1.126 460 L HN 0.764 nan 8.230 nan 0.000 0.460 461 W N 1.310 122.665 121.300 0.092 0.000 2.350 461 W HA -0.201 4.458 4.660 -0.002 0.000 0.289 461 W C 1.409 177.900 176.519 -0.047 0.000 1.215 461 W CA 1.394 58.708 57.345 -0.052 0.000 1.236 461 W CB 0.170 29.667 29.460 0.063 0.000 1.130 461 W HN 0.708 nan 8.180 nan 0.000 0.541 462 D N 0.648 121.045 120.400 -0.005 0.000 2.144 462 D HA -0.180 4.459 4.640 -0.002 0.000 0.199 462 D C 1.554 177.767 176.300 -0.144 0.000 0.984 462 D CA 1.579 55.527 54.000 -0.085 0.000 0.834 462 D CB -0.529 40.306 40.800 0.058 0.000 0.955 462 D HN 0.186 nan 8.370 nan 0.000 0.465 463 D N -0.036 120.282 120.400 -0.136 0.000 2.178 463 D HA -0.087 4.552 4.640 -0.002 0.000 0.202 463 D C 2.285 178.398 176.300 -0.312 0.000 0.974 463 D CA 0.303 54.186 54.000 -0.194 0.000 0.841 463 D CB -0.086 40.389 40.800 -0.542 0.000 0.953 463 D HN 0.108 nan 8.370 nan 0.000 0.478 464 V N 1.643 121.283 119.914 -0.457 0.000 2.307 464 V HA -0.203 3.916 4.120 -0.002 0.000 0.245 464 V C 2.492 178.387 176.094 -0.332 0.000 1.045 464 V CA 0.950 62.950 62.300 -0.499 0.000 1.024 464 V CB -0.206 31.111 31.823 -0.844 0.000 0.651 464 V HN 0.163 nan 8.190 nan 0.000 0.449 465 I N 0.291 120.540 120.570 -0.535 0.000 2.226 465 I HA -0.212 3.957 4.170 -0.002 0.000 0.245 465 I C 2.558 178.674 176.117 -0.001 0.000 1.100 465 I CA 1.901 63.020 61.300 -0.301 0.000 1.374 465 I CB -1.655 36.129 38.000 -0.360 0.000 1.057 465 I HN 0.338 nan 8.210 nan 0.000 0.413 466 T N 1.589 116.145 114.554 0.004 0.000 2.720 466 T HA -0.182 4.167 4.350 -0.002 0.000 0.268 466 T C 1.963 176.796 174.700 0.222 0.000 1.037 466 T CA 1.212 63.393 62.100 0.134 0.000 1.144 466 T CB -0.388 68.591 68.868 0.185 0.000 0.864 466 T HN 0.150 nan 8.240 nan 0.000 0.444 467 L N 0.293 121.616 121.223 0.166 0.000 2.017 467 L HA 0.049 4.388 4.340 -0.002 0.000 0.208 467 L C 1.896 178.797 176.870 0.052 0.000 1.073 467 L CA 1.723 56.614 54.840 0.085 0.000 0.745 467 L CB -0.771 41.198 42.059 -0.150 0.000 0.894 467 L HN 0.199 nan 8.230 nan 0.000 0.432 468 F N -1.324 118.619 119.950 -0.011 0.000 2.234 468 F HA -0.150 4.376 4.527 -0.002 0.000 0.299 468 F C 2.568 178.453 175.800 0.142 0.000 1.087 468 F CA 1.588 59.622 58.000 0.058 0.000 1.340 468 F CB -0.653 38.352 39.000 0.007 0.000 1.031 468 F HN 0.316 nan 8.300 nan 0.000 0.500 469 H N 0.188 119.389 119.070 0.218 0.000 2.293 469 H HA -0.117 4.438 4.556 -0.002 0.000 0.300 469 H C 2.135 177.539 175.328 0.127 0.000 1.082 469 H CA 2.055 58.182 56.048 0.132 0.000 1.308 469 H CB 0.089 29.931 29.762 0.133 0.000 1.375 469 H HN -0.017 nan 8.280 nan 0.000 0.495 470 E N -0.067 120.374 120.200 0.401 0.000 2.106 470 E HA -0.166 4.183 4.350 -0.002 0.000 0.192 470 E C 2.013 178.780 176.600 0.278 0.000 0.984 470 E CA 0.640 57.282 56.400 0.403 0.000 0.806 470 E CB -0.490 29.424 29.700 0.357 0.000 0.750 470 E HN 0.488 nan 8.360 nan 0.000 0.458 471 F N 1.418 121.429 119.950 0.102 0.000 2.502 471 F HA 0.032 4.557 4.527 -0.002 0.000 0.298 471 F C 2.129 177.940 175.800 0.018 0.000 1.111 471 F CA 1.066 59.078 58.000 0.020 0.000 1.445 471 F CB -0.194 38.750 39.000 -0.094 0.000 1.081 471 F HN 0.010 nan 8.300 nan 0.000 0.558 472 G N -0.969 107.852 108.800 0.036 0.000 2.408 472 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.217 472 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.217 472 G C 1.616 176.426 174.900 -0.150 0.000 1.150 472 G CA 0.798 45.861 45.100 -0.061 0.000 0.776 472 G HN 0.367 nan 8.290 nan 0.000 0.542 473 H N 0.576 119.590 119.070 -0.095 0.000 2.326 473 H HA -0.037 4.517 4.556 -0.002 0.000 0.301 473 H C 2.973 178.203 175.328 -0.164 0.000 1.081 473 H CA 1.682 57.692 56.048 -0.063 0.000 1.334 473 H CB -0.747 29.006 29.762 -0.016 0.000 1.385 473 H HN 0.221 nan 8.280 nan 0.000 0.504 474 T N 1.829 116.293 114.554 -0.149 0.000 2.665 474 T HA -0.150 4.199 4.350 -0.002 0.000 0.268 474 T C 2.438 176.798 174.700 -0.567 0.000 1.035 474 T CA 1.243 63.090 62.100 -0.422 0.000 1.151 474 T CB -0.454 67.910 68.868 -0.839 0.000 0.862 474 T HN 0.170 nan 8.240 nan 0.000 0.438 475 L N -0.018 120.836 121.223 -0.615 0.000 2.083 475 L HA -0.112 4.227 4.340 -0.002 0.000 0.209 475 L C 2.594 179.286 176.870 -0.297 0.000 1.083 475 L CA 1.286 55.796 54.840 -0.550 0.000 0.752 475 L CB -0.578 41.303 42.059 -0.296 0.000 0.899 475 L HN 0.287 nan 8.230 nan 0.000 0.433 476 H N 0.212 119.134 119.070 -0.246 0.000 2.421 476 H HA -0.086 4.469 4.556 -0.002 0.000 0.298 476 H C 2.016 177.261 175.328 -0.139 0.000 1.087 476 H CA 1.408 57.367 56.048 -0.147 0.000 1.330 476 H CB -0.160 29.558 29.762 -0.073 0.000 1.388 476 H HN 0.220 nan 8.280 nan 0.000 0.526 477 G N -0.249 108.426 108.800 -0.208 0.000 2.539 477 G HA2 -0.109 3.849 3.960 -0.002 0.000 0.215 477 G HA3 -0.109 3.849 3.960 -0.002 0.000 0.215 477 G C 1.714 176.465 174.900 -0.248 0.000 1.141 477 G CA 0.468 45.416 45.100 -0.254 0.000 0.806 477 G HN 0.445 nan 8.290 nan 0.000 0.533 478 L N -0.538 120.462 121.223 -0.372 0.000 2.093 478 L HA 0.237 4.576 4.340 -0.002 0.000 0.208 478 L C 1.624 178.239 176.870 -0.424 0.000 1.085 478 L CA 1.478 56.020 54.840 -0.495 0.000 0.755 478 L CB -0.257 41.292 42.059 -0.849 0.000 0.904 478 L HN 0.133 nan 8.230 nan 0.000 0.435 479 F N 0.403 120.233 119.950 -0.201 0.000 2.693 479 F HA 0.443 4.969 4.527 -0.002 0.000 0.303 479 F C 1.369 177.089 175.800 -0.133 0.000 1.097 479 F CA -0.456 57.437 58.000 -0.177 0.000 1.330 479 F CB -1.268 37.588 39.000 -0.240 0.000 1.067 479 F HN 0.019 nan 8.300 nan 0.000 0.565 480 A N 1.038 123.867 122.820 0.014 0.000 2.520 480 A HA 0.312 4.631 4.320 -0.002 0.000 0.245 480 A C 0.927 178.498 177.584 -0.021 0.000 1.072 480 A CA -0.017 52.005 52.037 -0.025 0.000 0.761 480 A CB 0.005 18.955 19.000 -0.083 0.000 1.004 480 A HN 0.476 nan 8.150 nan 0.000 0.499 481 R N 1.896 122.384 120.500 -0.020 0.000 2.881 481 R HA 0.177 4.516 4.340 -0.002 0.000 0.331 481 R C -0.909 175.368 176.300 -0.039 0.000 1.207 481 R CA -0.290 55.791 56.100 -0.032 0.000 1.265 481 R CB 0.656 30.945 30.300 -0.019 0.000 1.351 481 R HN 0.772 nan 8.270 nan 0.000 0.613 482 Q N -0.004 119.771 119.800 -0.042 0.000 2.214 482 Q HA 0.327 4.665 4.340 -0.002 0.000 0.251 482 Q C 0.908 176.857 176.000 -0.086 0.000 0.936 482 Q CA -0.255 55.527 55.803 -0.036 0.000 0.894 482 Q CB 1.492 30.234 28.738 0.007 0.000 1.252 482 Q HN 0.079 nan 8.270 nan 0.000 0.448 483 R N 0.553 120.955 120.500 -0.163 0.000 2.093 483 R HA 0.034 4.373 4.340 -0.002 0.000 0.224 483 R C -0.130 175.951 176.300 -0.365 0.000 1.101 483 R CA 0.861 56.761 56.100 -0.334 0.000 0.979 483 R CB 0.260 30.230 30.300 -0.550 0.000 0.877 483 R HN 0.530 nan 8.270 nan 0.000 0.441 484 Y N -0.848 119.468 120.300 0.026 0.000 2.330 484 Y HA 0.291 4.840 4.550 -0.002 0.000 0.336 484 Y C 1.070 176.975 175.900 0.007 0.000 1.036 484 Y CA -0.771 57.344 58.100 0.026 0.000 1.125 484 Y CB 1.455 39.943 38.460 0.048 0.000 1.194 484 Y HN -0.046 nan 8.280 nan 0.000 0.469 485 A N 1.661 124.573 122.820 0.154 0.000 1.883 485 A HA -0.186 4.133 4.320 -0.002 0.000 0.217 485 A C 2.132 179.757 177.584 0.068 0.000 1.186 485 A CA 2.358 54.442 52.037 0.077 0.000 0.624 485 A CB -1.152 17.885 19.000 0.062 0.000 0.822 485 A HN 0.889 nan 8.150 nan 0.000 0.444 486 T N 0.138 114.743 114.554 0.085 0.000 2.802 486 T HA -0.132 4.217 4.350 -0.002 0.000 0.269 486 T C 1.258 175.983 174.700 0.041 0.000 1.062 486 T CA 1.606 63.735 62.100 0.049 0.000 1.133 486 T CB -0.333 68.557 68.868 0.037 0.000 0.852 486 T HN 0.397 nan 8.240 nan 0.000 0.485 487 L N 0.044 121.313 121.223 0.077 0.000 2.808 487 L HA 0.319 4.658 4.340 -0.002 0.000 0.246 487 L C 0.970 177.854 176.870 0.023 0.000 1.153 487 L CA -0.272 54.603 54.840 0.058 0.000 0.956 487 L CB 0.339 42.466 42.059 0.112 0.000 1.270 487 L HN 0.046 nan 8.230 nan 0.000 0.528 488 S N -0.445 115.258 115.700 0.006 0.000 2.632 488 S HA 0.583 5.052 4.470 -0.002 0.000 0.271 488 S C 1.093 175.626 174.600 -0.111 0.000 1.260 488 S CA 0.396 58.572 58.200 -0.040 0.000 1.010 488 S CB 1.193 64.374 63.200 -0.033 0.000 0.965 488 S HN 0.495 nan 8.310 nan 0.000 0.534 489 G N 2.485 111.181 108.800 -0.173 0.000 2.665 489 G HA2 -0.376 3.582 3.960 -0.002 0.000 0.326 489 G HA3 -0.376 3.582 3.960 -0.002 0.000 0.326 489 G C 0.938 175.473 174.900 -0.607 0.000 1.231 489 G CA 1.352 46.245 45.100 -0.345 0.000 0.992 489 G HN 1.696 nan 8.290 nan 0.000 0.549 490 T N -1.233 113.047 114.554 -0.455 0.000 3.169 490 T HA 0.211 4.560 4.350 -0.002 0.000 0.250 490 T C 1.003 175.644 174.700 -0.099 0.000 1.111 490 T CA 0.861 62.781 62.100 -0.300 0.000 1.010 490 T CB -0.076 68.709 68.868 -0.138 0.000 0.984 490 T HN 0.381 nan 8.240 nan 0.000 0.537 491 N N 3.886 122.520 118.700 -0.110 0.000 3.210 491 N HA 0.113 4.852 4.740 -0.002 0.000 0.314 491 N C 0.238 175.734 175.510 -0.023 0.000 1.291 491 N CA 0.186 53.199 53.050 -0.061 0.000 1.202 491 N CB 0.009 38.463 38.487 -0.055 0.000 1.475 491 N HN 0.772 nan 8.380 nan 0.000 0.554 492 T N -3.229 111.345 114.554 0.033 0.000 2.926 492 T HA 0.614 4.962 4.350 -0.002 0.000 0.289 492 T C -2.793 171.937 174.700 0.050 0.000 1.054 492 T CA -2.242 59.902 62.100 0.074 0.000 1.015 492 T CB 1.958 70.979 68.868 0.256 0.000 1.167 492 T HN -0.169 nan 8.240 nan 0.000 0.526 493 P HA 0.286 nan 4.420 nan 0.000 0.268 493 P C 0.732 178.020 177.300 -0.019 0.000 1.208 493 P CA -0.487 62.596 63.100 -0.027 0.000 0.777 493 P CB 0.541 32.225 31.700 -0.027 0.000 0.875 494 R N 1.531 121.936 120.500 -0.159 0.000 2.103 494 R HA -0.158 4.181 4.340 -0.002 0.000 0.242 494 R C 0.957 177.155 176.300 -0.169 0.000 1.142 494 R CA 1.895 57.864 56.100 -0.219 0.000 0.960 494 R CB -0.678 29.385 30.300 -0.395 0.000 0.858 494 R HN 0.633 nan 8.270 nan 0.000 0.439 495 D N -0.792 119.484 120.400 -0.207 0.000 2.344 495 D HA -0.083 4.556 4.640 -0.002 0.000 0.242 495 D C 0.700 177.045 176.300 0.075 0.000 1.159 495 D CA 0.258 54.142 54.000 -0.193 0.000 0.859 495 D CB -0.179 40.332 40.800 -0.481 0.000 0.925 495 D HN 0.250 nan 8.370 nan 0.000 0.510 496 F N -0.708 119.254 119.950 0.020 0.000 2.570 496 F HA 0.168 4.694 4.527 -0.002 0.000 0.290 496 F C 1.759 177.669 175.800 0.184 0.000 0.910 496 F CA -0.170 57.912 58.000 0.135 0.000 1.119 496 F CB 0.057 39.130 39.000 0.123 0.000 0.922 496 F HN -0.106 nan 8.300 nan 0.000 0.703 497 V N 1.214 121.278 119.914 0.250 0.000 2.469 497 V HA -0.193 3.926 4.120 -0.002 0.000 0.251 497 V C 1.651 177.840 176.094 0.158 0.000 1.064 497 V CA 2.184 64.636 62.300 0.254 0.000 1.066 497 V CB -0.310 31.652 31.823 0.231 0.000 0.667 497 V HN 0.277 nan 8.190 nan 0.000 0.461 498 E N -0.797 119.446 120.200 0.071 0.000 2.502 498 E HA -0.044 4.305 4.350 -0.002 0.000 0.194 498 E C 1.533 178.141 176.600 0.014 0.000 1.062 498 E CA 0.298 56.726 56.400 0.046 0.000 0.867 498 E CB -0.082 29.583 29.700 -0.059 0.000 0.888 498 E HN 0.767 nan 8.360 nan 0.000 0.510 499 F N 2.197 122.013 119.950 -0.224 0.000 2.147 499 F HA 0.126 4.652 4.527 -0.002 0.000 0.291 499 F C -1.054 174.641 175.800 -0.175 0.000 1.093 499 F CA 0.039 57.895 58.000 -0.238 0.000 1.263 499 F CB -1.202 37.500 39.000 -0.495 0.000 1.036 499 F HN -0.069 nan 8.300 nan 0.000 0.481 500 P HA -0.129 nan 4.420 nan 0.000 0.220 500 P C 1.898 178.945 177.300 -0.422 0.000 1.148 500 P CA 2.355 65.018 63.100 -0.728 0.000 0.803 500 P CB -0.271 31.029 31.700 -0.667 0.000 0.782 501 S N -0.500 114.886 115.700 -0.522 0.000 2.357 501 S HA -0.176 4.293 4.470 -0.002 0.000 0.221 501 S C 1.977 176.361 174.600 -0.360 0.000 1.031 501 S CA 0.890 58.648 58.200 -0.736 0.000 0.982 501 S CB -1.325 60.905 63.200 -1.618 0.000 0.853 501 S HN 0.210 nan 8.310 nan 0.000 0.458 502 Q N 0.459 120.171 119.800 -0.147 0.000 2.297 502 Q HA 0.233 4.571 4.340 -0.002 0.000 0.204 502 Q C 2.135 178.196 176.000 0.101 0.000 0.962 502 Q CA 0.795 56.645 55.803 0.078 0.000 0.879 502 Q CB -0.302 28.553 28.738 0.195 0.000 0.947 502 Q HN 0.626 nan 8.270 nan 0.000 0.462 503 I N 0.940 121.551 120.570 0.068 0.000 2.315 503 I HA -0.257 3.912 4.170 -0.002 0.000 0.248 503 I C 2.096 178.229 176.117 0.027 0.000 1.117 503 I CA 0.856 62.232 61.300 0.127 0.000 1.404 503 I CB -0.064 37.973 38.000 0.062 0.000 1.071 503 I HN 0.294 nan 8.210 nan 0.000 0.419 504 N N 0.842 119.595 118.700 0.088 0.000 2.223 504 N HA -0.239 4.499 4.740 -0.002 0.000 0.185 504 N C 1.510 177.153 175.510 0.222 0.000 1.016 504 N CA 1.305 54.532 53.050 0.295 0.000 0.863 504 N CB 0.028 38.715 38.487 0.333 0.000 0.983 504 N HN 0.516 nan 8.380 nan 0.000 0.429 505 E N -0.453 119.785 120.200 0.063 0.000 2.209 505 E HA -0.183 4.166 4.350 -0.002 0.000 0.196 505 E C 1.651 178.068 176.600 -0.305 0.000 0.993 505 E CA 0.693 57.044 56.400 -0.082 0.000 0.819 505 E CB -0.148 29.512 29.700 -0.067 0.000 0.745 505 E HN 0.516 nan 8.360 nan 0.000 0.477 506 H N -0.601 118.215 119.070 -0.423 0.000 2.387 506 H HA -0.144 4.411 4.556 -0.002 0.000 0.299 506 H C 1.579 176.530 175.328 -0.629 0.000 1.099 506 H CA 1.294 56.885 56.048 -0.761 0.000 1.315 506 H CB -0.225 28.581 29.762 -1.594 0.000 1.380 506 H HN 0.390 nan 8.280 nan 0.000 0.513 507 W N 0.857 122.069 121.300 -0.147 0.000 2.421 507 W HA -0.081 4.577 4.660 -0.002 0.000 0.270 507 W C 2.809 179.251 176.519 -0.129 0.000 1.233 507 W CA 0.595 57.935 57.345 -0.007 0.000 1.226 507 W CB -0.097 29.428 29.460 0.108 0.000 1.121 507 W HN 0.131 nan 8.180 nan 0.000 0.579 508 A N 0.098 122.641 122.820 -0.462 0.000 2.019 508 A HA -0.194 4.125 4.320 -0.002 0.000 0.219 508 A C 1.850 179.639 177.584 0.342 0.000 1.164 508 A CA 2.108 53.840 52.037 -0.509 0.000 0.644 508 A CB -1.063 17.408 19.000 -0.881 0.000 0.805 508 A HN 0.289 nan 8.150 nan 0.000 0.449 509 T N -4.086 110.618 114.554 0.250 0.000 3.085 509 T HA 0.150 4.499 4.350 -0.002 0.000 0.264 509 T C 0.497 175.345 174.700 0.247 0.000 1.019 509 T CA -0.218 62.046 62.100 0.274 0.000 0.910 509 T CB -0.484 68.465 68.868 0.135 0.000 1.059 509 T HN 0.500 nan 8.240 nan 0.000 0.542 510 H N 3.005 122.246 119.070 0.284 0.000 2.964 510 H HA 0.121 4.676 4.556 -0.002 0.000 0.328 510 H C -1.797 173.733 175.328 0.337 0.000 1.030 510 H CA -1.294 54.973 56.048 0.364 0.000 1.445 510 H CB 1.448 31.575 29.762 0.608 0.000 1.449 510 H HN -0.022 nan 8.280 nan 0.000 0.581 511 P HA -0.227 nan 4.420 nan 0.000 0.217 511 P C 1.137 178.591 177.300 0.258 0.000 1.158 511 P CA 1.620 64.761 63.100 0.069 0.000 0.887 511 P CB 0.403 32.068 31.700 -0.059 0.000 0.792 512 Q N -1.208 118.856 119.800 0.439 0.000 2.137 512 Q HA -0.046 4.293 4.340 -0.002 0.000 0.198 512 Q C 2.179 178.446 176.000 0.444 0.000 0.960 512 Q CA 0.960 57.037 55.803 0.457 0.000 0.847 512 Q CB -1.344 27.738 28.738 0.574 0.000 0.915 512 Q HN 0.089 nan 8.270 nan 0.000 0.448 513 V N 0.280 120.592 119.914 0.663 0.000 2.261 513 V HA -0.230 3.889 4.120 -0.002 0.000 0.246 513 V C 1.867 178.201 176.094 0.400 0.000 1.047 513 V CA 1.802 64.473 62.300 0.618 0.000 1.015 513 V CB -0.633 31.640 31.823 0.750 0.000 0.642 513 V HN 0.289 nan 8.190 nan 0.000 0.446 514 F N 1.332 121.406 119.950 0.206 0.000 2.091 514 F HA -0.246 4.279 4.527 -0.002 0.000 0.299 514 F C 2.344 177.973 175.800 -0.286 0.000 1.103 514 F CA 1.748 59.619 58.000 -0.215 0.000 1.228 514 F CB -0.541 38.426 39.000 -0.055 0.000 0.984 514 F HN 0.081 nan 8.300 nan 0.000 0.477 515 A N 0.066 122.951 122.820 0.108 0.000 1.917 515 A HA -0.277 4.042 4.320 -0.002 0.000 0.219 515 A C 2.167 179.662 177.584 -0.147 0.000 1.182 515 A CA 2.052 54.092 52.037 0.006 0.000 0.633 515 A CB -0.834 18.204 19.000 0.064 0.000 0.819 515 A HN 0.420 nan 8.150 nan 0.000 0.448 516 R N -0.796 119.595 120.500 -0.182 0.000 2.073 516 R HA -0.177 4.162 4.340 -0.002 0.000 0.234 516 R C 2.011 178.203 176.300 -0.180 0.000 1.134 516 R CA 2.402 58.325 56.100 -0.296 0.000 0.952 516 R CB -0.688 29.236 30.300 -0.627 0.000 0.850 516 R HN 0.809 nan 8.270 nan 0.000 0.433 517 Y N -2.770 117.436 120.300 -0.156 0.000 2.497 517 Y HA 0.500 5.049 4.550 -0.002 0.000 0.265 517 Y C 0.616 176.470 175.900 -0.077 0.000 1.111 517 Y CA -0.129 57.907 58.100 -0.107 0.000 1.288 517 Y CB -0.199 38.234 38.460 -0.045 0.000 1.082 517 Y HN 0.016 nan 8.280 nan 0.000 0.536 518 A N 3.026 125.464 122.820 -0.636 0.000 3.026 518 A HA 0.332 4.650 4.320 -0.002 0.000 0.272 518 A C -0.122 177.450 177.584 -0.020 0.000 1.782 518 A CA -0.498 51.286 52.037 -0.421 0.000 1.451 518 A CB -0.627 17.710 19.000 -1.104 0.000 1.081 518 A HN 0.310 nan 8.150 nan 0.000 0.611 519 R N 1.082 121.649 120.500 0.110 0.000 2.514 519 R HA 0.248 4.587 4.340 -0.002 0.000 0.301 519 R C -0.384 175.970 176.300 0.089 0.000 0.962 519 R CA -0.715 55.477 56.100 0.154 0.000 0.882 519 R CB 0.971 31.309 30.300 0.063 0.000 1.143 519 R HN 0.731 nan 8.270 nan 0.000 0.452 520 H N 3.397 122.408 119.070 -0.099 0.000 2.964 520 H HA -0.088 4.467 4.556 -0.002 0.000 0.328 520 H C 0.684 175.846 175.328 -0.276 0.000 1.030 520 H CA 0.796 56.554 56.048 -0.482 0.000 1.445 520 H CB 0.671 30.137 29.762 -0.494 0.000 1.449 520 H HN 0.704 nan 8.280 nan 0.000 0.581 521 Y N 2.826 122.854 120.300 -0.453 0.000 2.333 521 Y HA -0.184 4.365 4.550 -0.002 0.000 0.290 521 Y C 2.250 178.130 175.900 -0.034 0.000 1.144 521 Y CA 1.221 59.201 58.100 -0.199 0.000 1.228 521 Y CB -0.169 38.148 38.460 -0.239 0.000 0.985 521 Y HN 0.571 nan 8.280 nan 0.000 0.542 522 Q N 0.808 120.288 119.800 -0.533 0.000 2.123 522 Q HA -0.052 4.287 4.340 -0.002 0.000 0.196 522 Q C 2.117 178.075 176.000 -0.070 0.000 0.958 522 Q CA 1.700 57.353 55.803 -0.249 0.000 0.841 522 Q CB 0.068 28.583 28.738 -0.371 0.000 0.915 522 Q HN 0.599 nan 8.270 nan 0.000 0.455 523 S N -2.921 112.752 115.700 -0.046 0.000 2.524 523 S HA 0.333 4.802 4.470 -0.002 0.000 0.222 523 S C 1.367 175.954 174.600 -0.022 0.000 1.040 523 S CA 0.323 58.483 58.200 -0.068 0.000 0.915 523 S CB 1.103 64.210 63.200 -0.155 0.000 0.831 523 S HN 0.539 nan 8.310 nan 0.000 0.492 524 G N 1.516 110.323 108.800 0.012 0.000 2.176 524 G HA2 -0.135 3.823 3.960 -0.002 0.000 0.253 524 G HA3 -0.135 3.823 3.960 -0.002 0.000 0.253 524 G C 0.356 175.278 174.900 0.037 0.000 0.979 524 G CA -0.016 45.100 45.100 0.026 0.000 0.641 524 G HN 1.335 nan 8.290 nan 0.000 0.530 525 A N 0.382 123.222 122.820 0.033 0.000 2.498 525 A HA 0.739 5.058 4.320 -0.002 0.000 0.239 525 A C 1.167 178.830 177.584 0.132 0.000 1.068 525 A CA 1.100 53.166 52.037 0.048 0.000 0.766 525 A CB 0.248 19.251 19.000 0.005 0.000 1.003 525 A HN 2.151 nan 8.150 nan 0.000 0.497 526 A N 2.770 125.635 122.820 0.075 0.000 2.483 526 A HA 0.418 4.736 4.320 -0.002 0.000 0.238 526 A C 0.669 178.281 177.584 0.046 0.000 1.070 526 A CA 0.004 52.073 52.037 0.053 0.000 0.770 526 A CB -0.112 18.890 19.000 0.003 0.000 1.008 526 A HN 1.179 nan 8.150 nan 0.000 0.497 527 M N 2.708 122.238 119.600 -0.118 0.000 2.252 527 M HA 0.197 4.676 4.480 -0.002 0.000 0.348 527 M C -2.214 173.944 176.300 -0.236 0.000 1.334 527 M CA -1.216 53.760 55.300 -0.540 0.000 1.071 527 M CB 0.303 32.496 32.600 -0.678 0.000 1.763 527 M HN 0.311 nan 8.290 nan 0.000 0.452 528 P HA -0.012 nan 4.420 nan 0.000 0.266 528 P C -0.404 176.834 177.300 -0.103 0.000 1.195 528 P CA 0.037 63.074 63.100 -0.106 0.000 0.768 528 P CB 0.491 32.142 31.700 -0.082 0.000 0.838 529 D N 2.242 122.602 120.400 -0.067 0.000 2.158 529 D HA -0.185 4.454 4.640 -0.002 0.000 0.197 529 D C 1.449 177.704 176.300 -0.076 0.000 0.995 529 D CA 1.609 55.572 54.000 -0.062 0.000 0.846 529 D CB -0.171 40.603 40.800 -0.043 0.000 0.941 529 D HN 0.487 nan 8.370 nan 0.000 0.456 530 E N 0.227 120.385 120.200 -0.070 0.000 2.058 530 E HA -0.107 4.242 4.350 -0.002 0.000 0.194 530 E C 2.319 178.865 176.600 -0.089 0.000 0.997 530 E CA 0.535 56.894 56.400 -0.069 0.000 0.801 530 E CB -0.295 29.372 29.700 -0.055 0.000 0.746 530 E HN 0.306 nan 8.360 nan 0.000 0.450 531 L N 0.423 121.579 121.223 -0.110 0.000 2.109 531 L HA -0.173 4.166 4.340 -0.002 0.000 0.207 531 L C 2.423 179.196 176.870 -0.162 0.000 1.086 531 L CA 1.101 55.860 54.840 -0.135 0.000 0.760 531 L CB -0.398 41.557 42.059 -0.173 0.000 0.910 531 L HN 0.166 nan 8.230 nan 0.000 0.437 532 Q N -0.440 119.262 119.800 -0.164 0.000 2.167 532 Q HA -0.265 4.074 4.340 -0.002 0.000 0.202 532 Q C 2.182 178.045 176.000 -0.228 0.000 0.970 532 Q CA 1.372 57.045 55.803 -0.217 0.000 0.855 532 Q CB -0.070 28.573 28.738 -0.158 0.000 0.911 532 Q HN 0.362 nan 8.270 nan 0.000 0.438 533 Q N 1.367 121.073 119.800 -0.156 0.000 2.079 533 Q HA -0.125 4.214 4.340 -0.002 0.000 0.200 533 Q C 1.580 177.498 176.000 -0.137 0.000 0.974 533 Q CA 1.604 57.327 55.803 -0.133 0.000 0.840 533 Q CB 0.130 28.816 28.738 -0.086 0.000 0.898 533 Q HN 0.179 nan 8.270 nan 0.000 0.430 534 K N -0.282 120.044 120.400 -0.124 0.000 2.063 534 K HA -0.159 4.159 4.320 -0.002 0.000 0.208 534 K C 2.158 178.633 176.600 -0.208 0.000 1.048 534 K CA 1.614 57.836 56.287 -0.109 0.000 0.928 534 K CB -0.295 32.157 32.500 -0.080 0.000 0.713 534 K HN 0.327 nan 8.250 nan 0.000 0.442 535 M N 0.929 120.378 119.600 -0.253 0.000 2.108 535 M HA -0.216 4.262 4.480 -0.002 0.000 0.261 535 M C 2.054 178.125 176.300 -0.380 0.000 1.066 535 M CA 1.625 56.718 55.300 -0.344 0.000 1.107 535 M CB 0.041 32.410 32.600 -0.385 0.000 1.356 535 M HN 0.043 nan 8.290 nan 0.000 0.406 536 R N -0.094 120.210 120.500 -0.326 0.000 2.075 536 R HA -0.105 4.234 4.340 -0.002 0.000 0.232 536 R C 1.813 177.967 176.300 -0.243 0.000 1.126 536 R CA 1.568 57.504 56.100 -0.273 0.000 0.963 536 R CB -0.605 29.567 30.300 -0.212 0.000 0.858 536 R HN 0.476 nan 8.270 nan 0.000 0.435 537 N N 1.052 119.622 118.700 -0.218 0.000 2.149 537 N HA -0.143 4.596 4.740 -0.002 0.000 0.188 537 N C 1.267 176.487 175.510 -0.485 0.000 1.019 537 N CA 1.566 54.517 53.050 -0.165 0.000 0.857 537 N CB -0.198 38.300 38.487 0.018 0.000 0.997 537 N HN 0.208 nan 8.380 nan 0.000 0.426 538 A N 0.293 122.610 122.820 -0.838 0.000 2.302 538 A HA 0.112 4.431 4.320 -0.002 0.000 0.219 538 A C 1.897 179.139 177.584 -0.569 0.000 1.243 538 A CA 0.451 51.690 52.037 -1.330 0.000 0.856 538 A CB -0.495 17.733 19.000 -1.286 0.000 0.893 538 A HN 0.328 nan 8.150 nan 0.000 0.491 539 S N -0.060 115.413 115.700 -0.377 0.000 2.419 539 S HA -0.120 4.349 4.470 -0.002 0.000 0.235 539 S C 1.456 175.967 174.600 -0.148 0.000 1.019 539 S CA 1.360 59.416 58.200 -0.240 0.000 0.982 539 S CB -0.522 62.560 63.200 -0.196 0.000 0.789 539 S HN 0.510 nan 8.310 nan 0.000 0.490 540 L N -0.276 120.884 121.223 -0.104 0.000 2.592 540 L HA 0.390 4.729 4.340 -0.002 0.000 0.227 540 L C 0.586 177.482 176.870 0.043 0.000 1.127 540 L CA -0.374 54.450 54.840 -0.028 0.000 0.884 540 L CB -0.266 41.798 42.059 0.008 0.000 1.065 540 L HN 0.244 nan 8.230 nan 0.000 0.457 541 F N 1.725 121.607 119.950 -0.113 0.000 2.578 541 F HA -0.038 4.488 4.527 -0.002 0.000 0.381 541 F C 1.307 177.143 175.800 0.060 0.000 1.069 541 F CA 0.430 58.422 58.000 -0.013 0.000 1.231 541 F CB 0.029 38.970 39.000 -0.099 0.000 1.086 541 F HN 0.099 nan 8.300 nan 0.000 0.564 542 N N 2.107 120.536 118.700 -0.452 0.000 2.909 542 N HA -0.263 4.476 4.740 -0.002 0.000 0.242 542 N C 0.968 176.501 175.510 0.039 0.000 0.975 542 N CA 1.234 54.203 53.050 -0.136 0.000 0.921 542 N CB -0.773 37.707 38.487 -0.011 0.000 1.112 542 N HN 0.549 nan 8.380 nan 0.000 0.581 543 K N -0.250 120.158 120.400 0.014 0.000 2.148 543 K HA 0.194 4.512 4.320 -0.002 0.000 0.204 543 K C 1.950 178.575 176.600 0.042 0.000 1.050 543 K CA 1.476 57.780 56.287 0.029 0.000 0.942 543 K CB -0.756 31.745 32.500 0.003 0.000 0.724 543 K HN 0.419 nan 8.250 nan 0.000 0.446 544 G N -0.711 108.123 108.800 0.057 0.000 2.433 544 G HA2 -0.302 3.657 3.960 -0.002 0.000 0.216 544 G HA3 -0.302 3.657 3.960 -0.002 0.000 0.216 544 G C 1.578 176.488 174.900 0.017 0.000 1.186 544 G CA 0.882 46.015 45.100 0.056 0.000 0.779 544 G HN 0.374 nan 8.290 nan 0.000 0.543 545 Y N 1.470 121.726 120.300 -0.073 0.000 2.128 545 Y HA -0.146 4.403 4.550 -0.002 0.000 0.284 545 Y C 2.935 178.709 175.900 -0.211 0.000 1.154 545 Y CA 2.383 60.297 58.100 -0.311 0.000 1.149 545 Y CB -0.051 38.060 38.460 -0.581 0.000 0.976 545 Y HN 0.355 nan 8.280 nan 0.000 0.505 546 E N -0.644 119.641 120.200 0.141 0.000 2.058 546 E HA -0.252 4.097 4.350 -0.002 0.000 0.194 546 E C 2.107 178.712 176.600 0.010 0.000 0.997 546 E CA 1.589 58.049 56.400 0.100 0.000 0.801 546 E CB -0.197 29.564 29.700 0.101 0.000 0.746 546 E HN 0.445 nan 8.360 nan 0.000 0.450 547 M N 0.493 120.097 119.600 0.006 0.000 2.175 547 M HA -0.080 4.399 4.480 -0.002 0.000 0.264 547 M C 2.322 178.606 176.300 -0.025 0.000 1.063 547 M CA 1.209 56.518 55.300 0.014 0.000 1.119 547 M CB -0.740 31.876 32.600 0.025 0.000 1.377 547 M HN -0.030 nan 8.290 nan 0.000 0.415 548 S N 0.933 116.569 115.700 -0.108 0.000 2.368 548 S HA -0.164 4.305 4.470 -0.002 0.000 0.224 548 S C 1.688 176.169 174.600 -0.198 0.000 1.029 548 S CA 1.586 59.688 58.200 -0.162 0.000 0.988 548 S CB -0.298 62.748 63.200 -0.256 0.000 0.838 548 S HN 0.672 nan 8.310 nan 0.000 0.462 549 E N 1.056 121.073 120.200 -0.305 0.000 2.274 549 E HA 0.005 4.353 4.350 -0.002 0.000 0.194 549 E C 1.912 178.464 176.600 -0.080 0.000 0.996 549 E CA 0.593 56.839 56.400 -0.256 0.000 0.840 549 E CB -0.332 29.182 29.700 -0.310 0.000 0.772 549 E HN 0.378 nan 8.360 nan 0.000 0.491 550 L N 0.449 121.669 121.223 -0.004 0.000 2.044 550 L HA -0.066 4.273 4.340 -0.002 0.000 0.205 550 L C 2.532 179.533 176.870 0.218 0.000 1.075 550 L CA 0.796 55.722 54.840 0.144 0.000 0.747 550 L CB -0.184 41.946 42.059 0.118 0.000 0.903 550 L HN 0.234 nan 8.230 nan 0.000 0.435 551 L N -1.148 120.158 121.223 0.139 0.000 2.046 551 L HA -0.223 4.116 4.340 -0.002 0.000 0.208 551 L C 2.700 179.663 176.870 0.156 0.000 1.077 551 L CA 1.063 56.001 54.840 0.164 0.000 0.747 551 L CB -0.387 41.732 42.059 0.100 0.000 0.896 551 L HN 0.178 nan 8.230 nan 0.000 0.432 552 S N -0.359 115.388 115.700 0.079 0.000 2.359 552 S HA -0.205 4.264 4.470 -0.002 0.000 0.224 552 S C 2.144 176.824 174.600 0.132 0.000 1.035 552 S CA 1.331 59.571 58.200 0.066 0.000 1.018 552 S CB -0.282 62.914 63.200 -0.007 0.000 0.876 552 S HN 0.518 nan 8.310 nan 0.000 0.448 553 A N 1.251 124.149 122.820 0.130 0.000 1.898 553 A HA 0.158 4.476 4.320 -0.002 0.000 0.216 553 A C 2.313 180.168 177.584 0.451 0.000 1.181 553 A CA 1.659 53.789 52.037 0.155 0.000 0.620 553 A CB -0.976 17.896 19.000 -0.213 0.000 0.819 553 A HN 0.518 nan 8.150 nan 0.000 0.442 554 A N -0.513 122.641 122.820 0.557 0.000 1.969 554 A HA 0.067 4.386 4.320 -0.002 0.000 0.218 554 A C 2.124 179.963 177.584 0.425 0.000 1.169 554 A CA 1.327 53.748 52.037 0.640 0.000 0.635 554 A CB -0.479 18.882 19.000 0.603 0.000 0.810 554 A HN 0.455 nan 8.150 nan 0.000 0.445 555 L N -1.061 120.349 121.223 0.313 0.000 2.109 555 L HA -0.098 4.240 4.340 -0.002 0.000 0.207 555 L C 2.468 179.459 176.870 0.202 0.000 1.086 555 L CA 0.792 55.762 54.840 0.218 0.000 0.760 555 L CB -0.437 41.708 42.059 0.144 0.000 0.910 555 L HN 0.460 nan 8.230 nan 0.000 0.437 556 L N 0.530 121.893 121.223 0.234 0.000 2.012 556 L HA -0.260 4.079 4.340 -0.002 0.000 0.210 556 L C 2.093 179.178 176.870 0.358 0.000 1.073 556 L CA 2.232 57.216 54.840 0.240 0.000 0.748 556 L CB -0.693 41.559 42.059 0.320 0.000 0.891 556 L HN 0.305 nan 8.230 nan 0.000 0.431 557 D N -0.991 119.649 120.400 0.399 0.000 2.104 557 D HA -0.297 4.341 4.640 -0.002 0.000 0.194 557 D C 2.130 178.676 176.300 0.409 0.000 0.994 557 D CA 1.891 56.078 54.000 0.311 0.000 0.830 557 D CB -0.148 40.722 40.800 0.118 0.000 0.959 557 D HN 0.330 nan 8.370 nan 0.000 0.452 558 M N 0.028 119.825 119.600 0.327 0.000 2.086 558 M HA -0.053 4.425 4.480 -0.002 0.000 0.261 558 M C 2.001 178.423 176.300 0.203 0.000 1.067 558 M CA 1.362 56.818 55.300 0.260 0.000 1.116 558 M CB -0.206 32.505 32.600 0.185 0.000 1.348 558 M HN -0.090 nan 8.290 nan 0.000 0.407 559 R N -1.341 119.265 120.500 0.177 0.000 2.105 559 R HA -0.185 4.154 4.340 -0.002 0.000 0.239 559 R C 2.177 178.615 176.300 0.230 0.000 1.135 559 R CA 1.912 58.109 56.100 0.162 0.000 0.967 559 R CB -1.222 29.119 30.300 0.070 0.000 0.861 559 R HN 0.590 nan 8.270 nan 0.000 0.442 560 W N 0.183 121.561 121.300 0.129 0.000 2.374 560 W HA -0.142 4.516 4.660 -0.002 0.000 0.288 560 W C 1.674 177.898 176.519 -0.493 0.000 1.218 560 W CA 0.729 57.915 57.345 -0.265 0.000 1.245 560 W CB -0.051 29.186 29.460 -0.373 0.000 1.126 560 W HN 0.230 nan 8.180 nan 0.000 0.545 561 H N -2.019 117.208 119.070 0.263 0.000 2.517 561 H HA 0.173 4.728 4.556 -0.002 0.000 0.282 561 H C 0.728 176.089 175.328 0.054 0.000 1.023 561 H CA 0.339 56.507 56.048 0.199 0.000 1.169 561 H CB -0.216 29.708 29.762 0.269 0.000 1.454 561 H HN 0.121 nan 8.280 nan 0.000 0.556 562 C N 1.214 120.491 119.300 -0.039 0.000 3.000 562 C HA 0.275 4.734 4.460 -0.002 0.000 0.286 562 C C 1.077 176.017 174.990 -0.083 0.000 1.343 562 C CA -0.390 58.373 59.018 -0.425 0.000 1.742 562 C CB -0.769 26.778 27.740 -0.322 0.000 2.200 562 C HN 0.279 nan 8.230 nan 0.000 0.621 563 L N 2.233 123.485 121.223 0.048 0.000 2.360 563 L HA 0.207 4.546 4.340 -0.002 0.000 0.276 563 L C 0.330 177.296 176.870 0.160 0.000 1.121 563 L CA 0.443 55.330 54.840 0.077 0.000 0.845 563 L CB 0.489 42.537 42.059 -0.019 0.000 1.143 563 L HN 0.337 nan 8.230 nan 0.000 0.452 564 E N 2.504 122.798 120.200 0.158 0.000 2.331 564 E HA -0.015 4.333 4.350 -0.002 0.000 0.272 564 E C 0.648 177.309 176.600 0.101 0.000 1.036 564 E CA -0.294 56.199 56.400 0.156 0.000 0.864 564 E CB 1.222 31.002 29.700 0.132 0.000 1.035 564 E HN 0.566 nan 8.360 nan 0.000 0.408 565 E N 2.808 123.064 120.200 0.093 0.000 2.172 565 E HA -0.373 3.976 4.350 -0.002 0.000 0.213 565 E C 0.994 177.619 176.600 0.043 0.000 1.051 565 E CA 2.489 58.925 56.400 0.061 0.000 0.860 565 E CB -0.017 29.710 29.700 0.044 0.000 0.755 565 E HN 0.480 nan 8.360 nan 0.000 0.462 566 N N 0.193 118.918 118.700 0.042 0.000 2.381 566 N HA -0.149 4.590 4.740 -0.002 0.000 0.182 566 N C 0.957 176.488 175.510 0.035 0.000 1.025 566 N CA 1.443 54.513 53.050 0.034 0.000 0.888 566 N CB 0.013 38.519 38.487 0.033 0.000 0.965 566 N HN 0.471 nan 8.380 nan 0.000 0.438 567 E N -0.643 119.583 120.200 0.043 0.000 2.624 567 E HA 0.410 4.759 4.350 -0.002 0.000 0.210 567 E C 0.990 177.603 176.600 0.022 0.000 0.997 567 E CA -0.235 56.190 56.400 0.041 0.000 0.999 567 E CB 0.327 30.061 29.700 0.057 0.000 1.040 567 E HN 0.201 nan 8.360 nan 0.000 0.469 568 A N 1.455 124.287 122.820 0.019 0.000 1.972 568 A HA -0.053 4.266 4.320 -0.002 0.000 0.219 568 A C 1.497 179.073 177.584 -0.013 0.000 1.169 568 A CA 0.683 52.720 52.037 -0.000 0.000 0.635 568 A CB -0.345 18.664 19.000 0.015 0.000 0.810 568 A HN 0.491 nan 8.150 nan 0.000 0.446 569 M N 1.058 120.659 119.600 0.002 0.000 2.217 569 M HA 0.203 4.682 4.480 -0.002 0.000 0.352 569 M C -0.850 175.469 176.300 0.032 0.000 1.376 569 M CA 0.458 55.764 55.300 0.009 0.000 1.107 569 M CB 0.398 33.005 32.600 0.011 0.000 1.723 569 M HN 0.373 nan 8.290 nan 0.000 0.461 570 Q N 3.185 123.021 119.800 0.061 0.000 2.590 570 Q HA 0.270 4.609 4.340 -0.002 0.000 0.295 570 Q C -1.828 174.262 176.000 0.151 0.000 0.973 570 Q CA -0.747 55.127 55.803 0.118 0.000 0.768 570 Q CB 1.793 30.610 28.738 0.132 0.000 1.479 570 Q HN 0.817 nan 8.270 nan 0.000 0.419 571 D N -0.319 120.187 120.400 0.176 0.000 2.280 571 D HA 0.272 4.911 4.640 -0.002 0.000 0.243 571 D C 0.968 177.433 176.300 0.275 0.000 1.129 571 D CA -0.229 53.868 54.000 0.161 0.000 0.848 571 D CB 1.160 42.034 40.800 0.123 0.000 1.107 571 D HN 0.212 nan 8.370 nan 0.000 0.471 572 V N 3.957 124.038 119.914 0.279 0.000 2.252 572 V HA -0.272 3.847 4.120 -0.002 0.000 0.249 572 V C 1.680 178.004 176.094 0.383 0.000 1.056 572 V CA 1.906 64.473 62.300 0.445 0.000 1.022 572 V CB -0.457 31.480 31.823 0.189 0.000 0.641 572 V HN 0.716 nan 8.190 nan 0.000 0.445 573 D N -0.401 120.125 120.400 0.211 0.000 2.117 573 D HA -0.191 4.448 4.640 -0.002 0.000 0.197 573 D C 2.030 178.413 176.300 0.138 0.000 0.987 573 D CA 1.655 55.748 54.000 0.155 0.000 0.829 573 D CB -0.353 40.512 40.800 0.108 0.000 0.961 573 D HN 0.561 nan 8.370 nan 0.000 0.460 574 D N 0.059 120.539 120.400 0.133 0.000 2.097 574 D HA -0.166 4.473 4.640 -0.002 0.000 0.197 574 D C 2.098 178.419 176.300 0.035 0.000 0.984 574 D CA 0.501 54.553 54.000 0.085 0.000 0.826 574 D CB -0.158 40.695 40.800 0.089 0.000 0.973 574 D HN 0.114 nan 8.370 nan 0.000 0.460 575 F N 1.794 121.708 119.950 -0.060 0.000 2.134 575 F HA -0.105 4.421 4.527 -0.002 0.000 0.299 575 F C 2.425 178.042 175.800 -0.306 0.000 1.097 575 F CA 1.761 59.612 58.000 -0.249 0.000 1.264 575 F CB -0.270 38.440 39.000 -0.484 0.000 1.001 575 F HN -0.050 nan 8.300 nan 0.000 0.479 576 E N 0.142 120.281 120.200 -0.102 0.000 2.070 576 E HA -0.304 4.045 4.350 -0.002 0.000 0.197 576 E C 2.179 178.683 176.600 -0.161 0.000 1.004 576 E CA 1.739 58.090 56.400 -0.081 0.000 0.805 576 E CB -0.424 29.379 29.700 0.172 0.000 0.744 576 E HN 0.442 nan 8.360 nan 0.000 0.451 577 L N 1.155 122.326 121.223 -0.087 0.000 2.017 577 L HA -0.141 4.197 4.340 -0.002 0.000 0.208 577 L C 2.286 179.060 176.870 -0.161 0.000 1.073 577 L CA 1.728 56.529 54.840 -0.064 0.000 0.745 577 L CB -0.315 41.746 42.059 0.002 0.000 0.894 577 L HN 0.011 nan 8.230 nan 0.000 0.432 578 R N -0.570 119.774 120.500 -0.261 0.000 2.096 578 R HA -0.093 4.246 4.340 -0.002 0.000 0.235 578 R C 2.233 178.289 176.300 -0.407 0.000 1.127 578 R CA 1.171 57.090 56.100 -0.302 0.000 0.968 578 R CB -0.618 29.489 30.300 -0.322 0.000 0.861 578 R HN 0.542 nan 8.270 nan 0.000 0.440 579 A N 1.339 123.765 122.820 -0.656 0.000 1.877 579 A HA -0.128 4.191 4.320 -0.002 0.000 0.216 579 A C 2.179 179.599 177.584 -0.274 0.000 1.186 579 A CA 1.140 52.819 52.037 -0.597 0.000 0.620 579 A CB -0.522 18.003 19.000 -0.792 0.000 0.822 579 A HN 0.164 nan 8.150 nan 0.000 0.443 580 L N -0.611 120.493 121.223 -0.198 0.000 2.056 580 L HA -0.146 4.193 4.340 -0.002 0.000 0.207 580 L C 2.540 179.362 176.870 -0.079 0.000 1.078 580 L CA 0.968 55.754 54.840 -0.091 0.000 0.749 580 L CB -0.647 41.388 42.059 -0.039 0.000 0.901 580 L HN 0.239 nan 8.230 nan 0.000 0.433 581 V N 0.382 120.240 119.914 -0.094 0.000 2.287 581 V HA -0.323 3.796 4.120 -0.002 0.000 0.248 581 V C 2.779 178.832 176.094 -0.068 0.000 1.053 581 V CA 1.946 64.204 62.300 -0.069 0.000 1.027 581 V CB -0.880 30.902 31.823 -0.069 0.000 0.646 581 V HN 0.501 nan 8.190 nan 0.000 0.447 582 A N -0.664 122.098 122.820 -0.096 0.000 2.019 582 A HA -0.211 4.108 4.320 -0.002 0.000 0.219 582 A C 2.023 179.577 177.584 -0.051 0.000 1.164 582 A CA 1.881 53.872 52.037 -0.077 0.000 0.644 582 A CB -0.364 18.574 19.000 -0.104 0.000 0.805 582 A HN 0.511 nan 8.150 nan 0.000 0.449 583 E N 0.067 120.236 120.200 -0.051 0.000 2.444 583 E HA 0.087 4.436 4.350 -0.002 0.000 0.191 583 E C -0.082 176.509 176.600 -0.015 0.000 1.041 583 E CA -0.132 56.254 56.400 -0.022 0.000 0.883 583 E CB -0.428 29.265 29.700 -0.012 0.000 1.024 583 E HN 0.458 nan 8.360 nan 0.000 0.470 584 N N 0.605 119.291 118.700 -0.024 0.000 2.710 584 N HA -0.220 4.518 4.740 -0.002 0.000 0.249 584 N C -0.431 175.068 175.510 -0.019 0.000 1.059 584 N CA 0.812 53.850 53.050 -0.020 0.000 0.720 584 N CB -0.409 38.071 38.487 -0.013 0.000 0.983 584 N HN 0.251 nan 8.380 nan 0.000 0.544 585 M N -0.138 119.449 119.600 -0.023 0.000 2.911 585 M HA 0.103 4.582 4.480 -0.002 0.000 0.381 585 M C 0.032 176.315 176.300 -0.029 0.000 1.287 585 M CA -0.507 54.778 55.300 -0.026 0.000 0.858 585 M CB -0.026 32.566 32.600 -0.013 0.000 1.385 585 M HN -0.075 nan 8.290 nan 0.000 0.504 586 D N 2.117 122.501 120.400 -0.027 0.000 2.564 586 D HA 0.279 4.918 4.640 -0.002 0.000 0.226 586 D C -0.743 175.542 176.300 -0.024 0.000 1.149 586 D CA 0.012 54.001 54.000 -0.018 0.000 0.994 586 D CB -0.078 40.712 40.800 -0.016 0.000 1.029 586 D HN 0.316 nan 8.370 nan 0.000 0.517 587 L N 4.368 125.566 121.223 -0.042 0.000 2.270 587 L HA 0.346 4.684 4.340 -0.002 0.000 0.286 587 L C -1.040 175.793 176.870 -0.062 0.000 1.059 587 L CA -1.563 53.243 54.840 -0.058 0.000 0.839 587 L CB 1.403 43.401 42.059 -0.101 0.000 1.221 587 L HN 0.111 nan 8.230 nan 0.000 0.431 588 P HA -0.254 nan 4.420 nan 0.000 0.216 588 P C 1.171 178.405 177.300 -0.109 0.000 1.150 588 P CA 1.547 64.608 63.100 -0.065 0.000 0.843 588 P CB 0.432 32.102 31.700 -0.050 0.000 0.787 589 A N -0.891 121.890 122.820 -0.066 0.000 2.123 589 A HA 0.114 4.433 4.320 -0.002 0.000 0.214 589 A C 1.533 179.082 177.584 -0.060 0.000 1.152 589 A CA 0.403 52.425 52.037 -0.025 0.000 0.728 589 A CB -0.583 18.522 19.000 0.175 0.000 0.814 589 A HN 0.194 nan 8.150 nan 0.000 0.464 590 I N 1.856 122.316 120.570 -0.184 0.000 2.668 590 I HA 0.227 4.395 4.170 -0.002 0.000 0.276 590 I C -2.592 173.353 176.117 -0.286 0.000 1.139 590 I CA -2.036 59.004 61.300 -0.435 0.000 1.133 590 I CB 1.509 39.065 38.000 -0.740 0.000 1.327 590 I HN 0.047 nan 8.210 nan 0.000 0.520 591 P HA 0.215 nan 4.420 nan 0.000 0.272 591 P C -2.529 174.775 177.300 0.007 0.000 1.240 591 P CA -1.372 61.743 63.100 0.026 0.000 0.791 591 P CB -0.236 31.532 31.700 0.114 0.000 0.978 592 P HA 0.046 nan 4.420 nan 0.000 0.268 592 P C 0.912 178.158 177.300 -0.089 0.000 1.208 592 P CA 0.011 63.095 63.100 -0.027 0.000 0.777 592 P CB 0.748 32.450 31.700 0.004 0.000 0.875 593 R N 1.468 121.826 120.500 -0.237 0.000 2.159 593 R HA -0.120 4.219 4.340 -0.002 0.000 0.237 593 R C -0.091 175.757 176.300 -0.754 0.000 1.131 593 R CA 1.461 57.298 56.100 -0.437 0.000 0.982 593 R CB -0.177 29.818 30.300 -0.509 0.000 0.868 593 R HN 0.534 nan 8.270 nan 0.000 0.453 594 Y N -0.953 119.095 120.300 -0.419 0.000 2.470 594 Y HA 0.370 4.918 4.550 -0.002 0.000 0.341 594 Y C -0.369 175.117 175.900 -0.690 0.000 1.021 594 Y CA -1.248 56.506 58.100 -0.577 0.000 1.025 594 Y CB 1.338 39.151 38.460 -1.078 0.000 1.266 594 Y HN -0.167 nan 8.280 nan 0.000 0.448 595 R N 0.611 120.610 120.500 -0.835 0.000 2.528 595 R HA 0.328 4.667 4.340 -0.002 0.000 0.271 595 R C 0.687 176.769 176.300 -0.364 0.000 1.056 595 R CA 0.131 55.857 56.100 -0.623 0.000 1.117 595 R CB 1.121 30.805 30.300 -1.028 0.000 1.085 595 R HN 0.929 nan 8.270 nan 0.000 0.530 596 S N 0.858 116.601 115.700 0.072 0.000 2.368 596 S HA -0.253 4.216 4.470 -0.002 0.000 0.226 596 S C 1.843 176.599 174.600 0.260 0.000 1.044 596 S CA 2.138 60.570 58.200 0.387 0.000 1.062 596 S CB -0.405 63.090 63.200 0.492 0.000 0.931 596 S HN 0.852 nan 8.310 nan 0.000 0.440 597 S N 1.422 117.151 115.700 0.049 0.000 2.440 597 S HA -0.196 4.273 4.470 -0.002 0.000 0.240 597 S C 1.193 175.976 174.600 0.305 0.000 1.014 597 S CA 1.442 59.710 58.200 0.114 0.000 0.980 597 S CB -0.750 62.460 63.200 0.017 0.000 0.775 597 S HN 0.849 nan 8.310 nan 0.000 0.499 598 Y N -2.373 118.097 120.300 0.283 0.000 2.715 598 Y HA 0.548 5.098 4.550 -0.002 0.000 0.255 598 Y C -0.032 176.103 175.900 0.391 0.000 1.139 598 Y CA -2.010 56.281 58.100 0.318 0.000 1.151 598 Y CB -0.742 37.805 38.460 0.144 0.000 1.201 598 Y HN 0.160 nan 8.280 nan 0.000 0.556 599 F N 2.192 122.276 119.950 0.223 0.000 2.605 599 F HA 0.516 5.042 4.527 -0.002 0.000 0.352 599 F C 1.432 177.156 175.800 -0.126 0.000 1.236 599 F CA -0.614 57.356 58.000 -0.049 0.000 1.267 599 F CB 0.513 39.438 39.000 -0.124 0.000 1.632 599 F HN 0.438 nan 8.300 nan 0.000 0.639 600 A N 2.441 125.401 122.820 0.234 0.000 2.019 600 A HA -0.198 4.121 4.320 -0.002 0.000 0.219 600 A C 2.101 179.629 177.584 -0.093 0.000 1.164 600 A CA 1.259 53.364 52.037 0.114 0.000 0.644 600 A CB -0.749 18.336 19.000 0.141 0.000 0.805 600 A HN 0.746 nan 8.150 nan 0.000 0.449 601 H N -0.088 118.911 119.070 -0.118 0.000 2.352 601 H HA -0.147 4.408 4.556 -0.002 0.000 0.299 601 H C 1.997 177.207 175.328 -0.197 0.000 1.097 601 H CA 2.020 58.021 56.048 -0.078 0.000 1.311 601 H CB -0.047 29.730 29.762 0.026 0.000 1.377 601 H HN 0.774 nan 8.280 nan 0.000 0.504 602 I N -4.048 116.235 120.570 -0.479 0.000 4.035 602 I HA 0.088 4.257 4.170 -0.002 0.000 0.321 602 I C 1.045 176.634 176.117 -0.881 0.000 1.289 602 I CA 0.598 61.434 61.300 -0.773 0.000 1.236 602 I CB 0.049 37.302 38.000 -1.246 0.000 1.076 602 I HN -0.099 nan 8.210 nan 0.000 0.418 603 F N 1.126 120.699 119.950 -0.630 0.000 2.728 603 F HA 0.482 5.008 4.527 -0.002 0.000 0.314 603 F C 1.961 177.232 175.800 -0.882 0.000 1.094 603 F CA 0.146 57.607 58.000 -0.899 0.000 1.217 603 F CB 1.358 39.504 39.000 -1.424 0.000 1.056 603 F HN 0.131 nan 8.300 nan 0.000 0.577 604 G N -0.302 108.247 108.800 -0.418 0.000 3.314 604 G HA2 0.405 4.364 3.960 -0.002 0.000 0.230 604 G HA3 0.405 4.364 3.960 -0.002 0.000 0.230 604 G C 0.416 175.249 174.900 -0.110 0.000 1.058 604 G CA 0.352 45.396 45.100 -0.093 0.000 0.926 604 G HN 0.307 nan 8.290 nan 0.000 0.564 605 G N -0.838 107.865 108.800 -0.161 0.000 3.209 605 G HA2 0.478 4.437 3.960 -0.002 0.000 0.236 605 G HA3 0.478 4.437 3.960 -0.002 0.000 0.236 605 G C 0.201 175.026 174.900 -0.125 0.000 1.329 605 G CA -0.067 44.959 45.100 -0.123 0.000 1.015 605 G HN 0.546 nan 8.290 nan 0.000 0.571 606 G N -1.257 107.490 108.800 -0.087 0.000 3.959 606 G HA2 0.391 4.350 3.960 -0.002 0.000 0.298 606 G HA3 0.391 4.350 3.960 -0.002 0.000 0.298 606 G C -0.415 174.299 174.900 -0.310 0.000 1.211 606 G CA -0.066 44.904 45.100 -0.216 0.000 1.001 606 G HN 0.368 nan 8.290 nan 0.000 0.561 607 Y N 0.484 120.701 120.300 -0.138 0.000 2.660 607 Y HA 0.480 5.029 4.550 -0.002 0.000 0.254 607 Y C 1.530 177.314 175.900 -0.194 0.000 1.176 607 Y CA -0.947 57.098 58.100 -0.092 0.000 1.195 607 Y CB 0.661 39.202 38.460 0.136 0.000 1.190 607 Y HN 0.276 nan 8.280 nan 0.000 0.535 608 A N 1.001 123.695 122.820 -0.210 0.000 2.546 608 A HA 0.392 4.711 4.320 -0.002 0.000 0.243 608 A C 1.445 178.851 177.584 -0.296 0.000 1.063 608 A CA 0.503 52.265 52.037 -0.458 0.000 0.757 608 A CB -0.486 18.141 19.000 -0.621 0.000 0.991 608 A HN 1.042 nan 8.150 nan 0.000 0.503 609 A N 1.452 124.086 122.820 -0.311 0.000 2.799 609 A HA -0.008 4.311 4.320 -0.002 0.000 0.287 609 A C 1.342 179.007 177.584 0.135 0.000 1.484 609 A CA 1.884 53.934 52.037 0.022 0.000 0.813 609 A CB -1.584 17.430 19.000 0.023 0.000 1.009 609 A HN 2.582 nan 8.150 nan 0.000 0.545 610 G N -3.408 105.465 108.800 0.122 0.000 3.873 610 G HA2 0.313 4.272 3.960 -0.002 0.000 0.232 610 G HA3 0.313 4.272 3.960 -0.002 0.000 0.232 610 G C 0.521 175.426 174.900 0.008 0.000 1.097 610 G CA 0.907 46.002 45.100 -0.008 0.000 0.889 610 G HN 0.677 nan 8.290 nan 0.000 0.532 611 Y N 1.412 121.782 120.300 0.117 0.000 2.352 611 Y HA -0.160 4.388 4.550 -0.002 0.000 0.292 611 Y C 2.393 178.414 175.900 0.201 0.000 1.136 611 Y CA 1.809 60.043 58.100 0.223 0.000 1.227 611 Y CB 0.080 38.718 38.460 0.296 0.000 0.991 611 Y HN 0.415 nan 8.280 nan 0.000 0.545 612 Y N -1.547 118.894 120.300 0.234 0.000 2.465 612 Y HA -0.114 4.435 4.550 -0.002 0.000 0.289 612 Y C 2.086 178.041 175.900 0.090 0.000 1.150 612 Y CA 0.453 58.661 58.100 0.181 0.000 1.293 612 Y CB -1.302 37.260 38.460 0.170 0.000 0.977 612 Y HN 0.061 nan 8.280 nan 0.000 0.556 613 A N 0.639 122.875 122.820 -0.973 0.000 1.948 613 A HA -0.219 4.100 4.320 -0.002 0.000 0.220 613 A C 1.877 179.269 177.584 -0.320 0.000 1.177 613 A CA 1.829 53.401 52.037 -0.776 0.000 0.636 613 A CB -1.417 17.166 19.000 -0.696 0.000 0.815 613 A HN 0.681 nan 8.150 nan 0.000 0.449 614 Y N -0.304 119.874 120.300 -0.204 0.000 2.181 614 Y HA -0.138 4.411 4.550 -0.002 0.000 0.288 614 Y C 2.238 178.150 175.900 0.020 0.000 1.146 614 Y CA 1.526 59.560 58.100 -0.111 0.000 1.164 614 Y CB -0.353 37.916 38.460 -0.318 0.000 0.982 614 Y HN 0.196 nan 8.280 nan 0.000 0.515 615 L N -1.588 119.765 121.223 0.216 0.000 2.056 615 L HA -0.242 4.097 4.340 -0.002 0.000 0.207 615 L C 2.454 179.488 176.870 0.273 0.000 1.078 615 L CA 1.025 56.058 54.840 0.322 0.000 0.749 615 L CB -0.626 41.702 42.059 0.448 0.000 0.901 615 L HN 0.480 nan 8.230 nan 0.000 0.433 616 W N 1.417 122.618 121.300 -0.166 0.000 2.338 616 W HA -0.231 4.427 4.660 -0.002 0.000 0.304 616 W C 2.336 178.690 176.519 -0.276 0.000 1.212 616 W CA 2.292 59.296 57.345 -0.569 0.000 1.264 616 W CB -0.241 29.014 29.460 -0.341 0.000 1.142 616 W HN 0.336 nan 8.180 nan 0.000 0.512 617 T N -1.650 112.985 114.554 0.135 0.000 3.113 617 T HA -0.057 4.291 4.350 -0.002 0.000 0.256 617 T C 1.560 176.341 174.700 0.136 0.000 1.131 617 T CA 0.749 62.909 62.100 0.099 0.000 1.074 617 T CB -0.196 68.744 68.868 0.119 0.000 0.944 617 T HN 0.258 nan 8.240 nan 0.000 0.516 618 Q N 0.258 120.161 119.800 0.171 0.000 2.119 618 Q HA 0.036 4.375 4.340 -0.002 0.000 0.201 618 Q C 2.252 178.368 176.000 0.193 0.000 0.972 618 Q CA 1.312 57.248 55.803 0.221 0.000 0.847 618 Q CB -0.314 28.573 28.738 0.247 0.000 0.903 618 Q HN 0.590 nan 8.270 nan 0.000 0.433 619 M N 0.536 120.216 119.600 0.133 0.000 2.108 619 M HA -0.194 4.285 4.480 -0.002 0.000 0.261 619 M C 1.731 178.032 176.300 0.002 0.000 1.066 619 M CA 1.520 56.866 55.300 0.077 0.000 1.107 619 M CB 0.054 32.663 32.600 0.014 0.000 1.356 619 M HN 0.198 nan 8.290 nan 0.000 0.406 620 L N -0.178 120.978 121.223 -0.112 0.000 2.156 620 L HA -0.077 4.262 4.340 -0.002 0.000 0.208 620 L C 2.762 179.738 176.870 0.177 0.000 1.095 620 L CA 0.866 55.553 54.840 -0.256 0.000 0.770 620 L CB -1.060 40.544 42.059 -0.759 0.000 0.914 620 L HN 0.400 nan 8.230 nan 0.000 0.439 621 A N 0.273 123.308 122.820 0.358 0.000 1.873 621 A HA -0.187 4.132 4.320 -0.002 0.000 0.215 621 A C 1.895 179.680 177.584 0.335 0.000 1.186 621 A CA 1.796 54.133 52.037 0.501 0.000 0.616 621 A CB -0.408 18.833 19.000 0.402 0.000 0.823 621 A HN 0.319 nan 8.150 nan 0.000 0.442 622 D N -0.180 120.378 120.400 0.264 0.000 2.149 622 D HA -0.123 4.516 4.640 -0.002 0.000 0.201 622 D C 1.655 178.019 176.300 0.107 0.000 0.972 622 D CA 1.264 55.340 54.000 0.127 0.000 0.835 622 D CB -0.395 40.519 40.800 0.191 0.000 0.966 622 D HN 0.564 nan 8.370 nan 0.000 0.476 623 D N 0.541 121.042 120.400 0.168 0.000 2.117 623 D HA -0.098 4.541 4.640 -0.002 0.000 0.198 623 D C 2.141 178.595 176.300 0.257 0.000 0.982 623 D CA 1.287 55.391 54.000 0.174 0.000 0.828 623 D CB -0.038 40.862 40.800 0.167 0.000 0.967 623 D HN 0.213 nan 8.370 nan 0.000 0.464 624 G N -0.507 108.556 108.800 0.439 0.000 2.422 624 G HA2 -0.308 3.651 3.960 -0.002 0.000 0.218 624 G HA3 -0.308 3.651 3.960 -0.002 0.000 0.218 624 G C 1.584 176.855 174.900 0.618 0.000 1.146 624 G CA 0.784 46.291 45.100 0.678 0.000 0.769 624 G HN 0.423 nan 8.290 nan 0.000 0.547 625 Y N 0.410 120.816 120.300 0.177 0.000 2.293 625 Y HA -0.081 4.468 4.550 -0.002 0.000 0.291 625 Y C 2.985 178.924 175.900 0.065 0.000 1.137 625 Y CA 1.643 59.717 58.100 -0.043 0.000 1.202 625 Y CB 0.107 38.075 38.460 -0.820 0.000 0.990 625 Y HN 0.211 nan 8.280 nan 0.000 0.537 626 Q N -0.149 119.659 119.800 0.014 0.000 2.170 626 Q HA -0.234 4.105 4.340 -0.002 0.000 0.203 626 Q C 1.783 177.752 176.000 -0.052 0.000 0.976 626 Q CA 2.019 57.788 55.803 -0.056 0.000 0.858 626 Q CB -0.815 27.932 28.738 0.014 0.000 0.907 626 Q HN 0.739 nan 8.270 nan 0.000 0.433 627 W N -0.401 120.796 121.300 -0.171 0.000 2.335 627 W HA -0.240 4.419 4.660 -0.002 0.000 0.311 627 W C 1.427 177.768 176.519 -0.297 0.000 1.213 627 W CA 1.759 58.913 57.345 -0.319 0.000 1.274 627 W CB -0.598 28.505 29.460 -0.594 0.000 1.148 627 W HN 0.170 nan 8.180 nan 0.000 0.498 628 F N -0.075 119.859 119.950 -0.027 0.000 2.095 628 F HA -0.272 4.254 4.527 -0.002 0.000 0.298 628 F C 2.366 177.963 175.800 -0.337 0.000 1.104 628 F CA 2.084 59.973 58.000 -0.185 0.000 1.232 628 F CB -1.262 37.671 39.000 -0.111 0.000 0.987 628 F HN -0.309 nan 8.300 nan 0.000 0.475 629 V N 0.012 119.775 119.914 -0.250 0.000 2.343 629 V HA -0.276 3.843 4.120 -0.002 0.000 0.247 629 V C 1.931 177.915 176.094 -0.183 0.000 1.051 629 V CA 2.078 64.255 62.300 -0.206 0.000 1.036 629 V CB -0.674 31.017 31.823 -0.220 0.000 0.654 629 V HN 0.361 nan 8.190 nan 0.000 0.451 630 E N -0.260 119.792 120.200 -0.245 0.000 2.338 630 E HA -0.148 4.200 4.350 -0.002 0.000 0.197 630 E C 1.574 177.981 176.600 -0.322 0.000 1.007 630 E CA 0.542 56.792 56.400 -0.251 0.000 0.849 630 E CB -0.046 29.496 29.700 -0.262 0.000 0.774 630 E HN 0.553 nan 8.360 nan 0.000 0.506 631 Q N -0.524 119.008 119.800 -0.447 0.000 2.204 631 Q HA 0.156 4.495 4.340 -0.002 0.000 0.209 631 Q C 0.897 176.739 176.000 -0.263 0.000 0.861 631 Q CA 0.482 55.999 55.803 -0.477 0.000 0.971 631 Q CB 1.498 29.690 28.738 -0.909 0.000 1.095 631 Q HN 0.414 nan 8.270 nan 0.000 0.486 632 G N -0.384 108.328 108.800 -0.148 0.000 2.232 632 G HA2 -0.215 3.744 3.960 -0.002 0.000 0.226 632 G HA3 -0.215 3.744 3.960 -0.002 0.000 0.226 632 G C 0.647 175.577 174.900 0.050 0.000 0.996 632 G CA 0.067 45.138 45.100 -0.047 0.000 0.626 632 G HN 0.837 nan 8.290 nan 0.000 0.509 633 G N -0.503 108.356 108.800 0.098 0.000 2.503 633 G HA2 0.126 4.084 3.960 -0.002 0.000 0.235 633 G HA3 0.126 4.084 3.960 -0.002 0.000 0.235 633 G C 0.045 175.152 174.900 0.346 0.000 1.179 633 G CA 0.170 45.447 45.100 0.296 0.000 0.944 633 G HN 1.708 nan 8.290 nan 0.000 0.580 634 L N 2.819 124.183 121.223 0.235 0.000 2.505 634 L HA 0.574 4.913 4.340 -0.002 0.000 0.279 634 L C 1.114 177.924 176.870 -0.099 0.000 1.211 634 L CA 1.246 56.011 54.840 -0.125 0.000 1.059 634 L CB -0.830 40.988 42.059 -0.401 0.000 1.340 634 L HN 1.275 nan 8.230 nan 0.000 0.447 635 T N 0.192 114.714 114.554 -0.052 0.000 2.903 635 T HA 0.468 4.817 4.350 -0.002 0.000 0.299 635 T C 1.095 175.749 174.700 -0.077 0.000 1.093 635 T CA -0.946 61.120 62.100 -0.056 0.000 1.002 635 T CB 1.527 70.393 68.868 -0.004 0.000 1.127 635 T HN 0.337 nan 8.240 nan 0.000 0.488 636 R N 0.724 121.171 120.500 -0.089 0.000 2.096 636 R HA -0.045 4.294 4.340 -0.002 0.000 0.235 636 R C 1.975 178.263 176.300 -0.020 0.000 1.127 636 R CA 1.287 57.336 56.100 -0.086 0.000 0.968 636 R CB -0.437 29.817 30.300 -0.075 0.000 0.861 636 R HN 0.737 nan 8.270 nan 0.000 0.440 637 E N 0.717 120.917 120.200 -0.000 0.000 2.051 637 E HA -0.135 4.214 4.350 -0.002 0.000 0.192 637 E C 1.673 178.337 176.600 0.107 0.000 0.991 637 E CA 0.877 57.297 56.400 0.034 0.000 0.799 637 E CB -0.325 29.381 29.700 0.009 0.000 0.748 637 E HN 0.325 nan 8.360 nan 0.000 0.449 638 N N 0.630 119.399 118.700 0.116 0.000 2.142 638 N HA -0.103 4.635 4.740 -0.002 0.000 0.186 638 N C 1.985 177.771 175.510 0.460 0.000 1.023 638 N CA 1.365 54.563 53.050 0.246 0.000 0.852 638 N CB -0.733 37.864 38.487 0.182 0.000 0.998 638 N HN 0.275 nan 8.380 nan 0.000 0.424 639 G N 1.977 110.950 108.800 0.287 0.000 2.418 639 G HA2 -0.200 3.759 3.960 -0.002 0.000 0.217 639 G HA3 -0.200 3.759 3.960 -0.002 0.000 0.217 639 G C 1.658 176.789 174.900 0.384 0.000 1.158 639 G CA 0.699 45.909 45.100 0.183 0.000 0.771 639 G HN 0.357 nan 8.290 nan 0.000 0.545 640 L N -0.258 121.100 121.223 0.225 0.000 2.017 640 L HA 0.029 4.368 4.340 -0.002 0.000 0.208 640 L C 2.715 179.701 176.870 0.193 0.000 1.073 640 L CA 1.773 56.715 54.840 0.170 0.000 0.745 640 L CB -0.260 41.846 42.059 0.079 0.000 0.894 640 L HN 0.078 nan 8.230 nan 0.000 0.432 641 R N -0.120 120.548 120.500 0.280 0.000 2.075 641 R HA -0.213 4.126 4.340 -0.002 0.000 0.232 641 R C 2.273 178.757 176.300 0.307 0.000 1.126 641 R CA 2.157 58.448 56.100 0.318 0.000 0.963 641 R CB -1.067 29.521 30.300 0.481 0.000 0.858 641 R HN 0.583 nan 8.270 nan 0.000 0.435 642 F N 1.267 121.347 119.950 0.216 0.000 2.134 642 F HA -0.206 4.320 4.527 -0.002 0.000 0.299 642 F C 2.722 178.483 175.800 -0.065 0.000 1.097 642 F CA 1.661 59.633 58.000 -0.046 0.000 1.264 642 F CB -0.093 39.108 39.000 0.335 0.000 1.001 642 F HN 0.012 nan 8.300 nan 0.000 0.479 643 R N 0.673 121.204 120.500 0.052 0.000 2.073 643 R HA -0.176 4.163 4.340 -0.002 0.000 0.234 643 R C 2.037 178.184 176.300 -0.255 0.000 1.134 643 R CA 2.104 58.031 56.100 -0.288 0.000 0.952 643 R CB -0.406 29.639 30.300 -0.424 0.000 0.850 643 R HN 0.385 nan 8.270 nan 0.000 0.433 644 E N -0.235 119.898 120.200 -0.113 0.000 2.072 644 E HA -0.142 4.207 4.350 -0.002 0.000 0.191 644 E C 1.718 178.274 176.600 -0.074 0.000 0.985 644 E CA 1.220 57.578 56.400 -0.070 0.000 0.801 644 E CB -0.032 29.671 29.700 0.004 0.000 0.750 644 E HN 0.482 nan 8.360 nan 0.000 0.452 645 A N 0.043 122.815 122.820 -0.080 0.000 2.238 645 A HA 0.075 4.394 4.320 -0.002 0.000 0.210 645 A C 1.669 179.150 177.584 -0.172 0.000 1.179 645 A CA 0.422 52.421 52.037 -0.063 0.000 0.827 645 A CB 0.312 19.359 19.000 0.077 0.000 0.856 645 A HN 0.094 nan 8.150 nan 0.000 0.488 646 I N -1.925 118.418 120.570 -0.379 0.000 3.685 646 I HA 0.101 4.270 4.170 -0.002 0.000 0.258 646 I C 1.942 177.863 176.117 -0.327 0.000 1.135 646 I CA 0.424 61.474 61.300 -0.418 0.000 1.436 646 I CB -0.988 36.467 38.000 -0.908 0.000 1.670 646 I HN 0.160 nan 8.210 nan 0.000 0.424 647 L N 1.496 122.409 121.223 -0.517 0.000 2.131 647 L HA -0.146 4.193 4.340 -0.002 0.000 0.210 647 L C 2.421 179.308 176.870 0.029 0.000 1.092 647 L CA 1.840 56.565 54.840 -0.191 0.000 0.759 647 L CB -0.556 41.363 42.059 -0.234 0.000 0.903 647 L HN 0.323 nan 8.230 nan 0.000 0.435 648 S N -1.306 114.359 115.700 -0.059 0.000 2.562 648 S HA 0.033 4.502 4.470 -0.002 0.000 0.221 648 S C 1.914 176.511 174.600 -0.004 0.000 0.975 648 S CA -0.138 58.057 58.200 -0.008 0.000 0.918 648 S CB -0.045 63.125 63.200 -0.051 0.000 0.772 648 S HN 0.279 nan 8.310 nan 0.000 0.531 649 R N 1.414 121.915 120.500 0.002 0.000 2.161 649 R HA 0.285 4.624 4.340 -0.002 0.000 0.213 649 R C 1.901 178.214 176.300 0.021 0.000 1.055 649 R CA 0.698 56.803 56.100 0.007 0.000 0.996 649 R CB -1.643 28.653 30.300 -0.007 0.000 0.901 649 R HN 0.560 nan 8.270 nan 0.000 0.456 650 G N 1.490 110.328 108.800 0.062 0.000 2.594 650 G HA2 -0.403 3.556 3.960 -0.002 0.000 0.297 650 G HA3 -0.403 3.556 3.960 -0.002 0.000 0.297 650 G C 0.294 175.197 174.900 0.004 0.000 1.273 650 G CA 0.603 45.713 45.100 0.017 0.000 0.974 650 G HN 0.432 nan 8.290 nan 0.000 0.552 651 N N 0.882 119.572 118.700 -0.016 0.000 2.376 651 N HA 0.309 5.048 4.740 -0.002 0.000 0.249 651 N C 2.004 177.508 175.510 -0.010 0.000 1.140 651 N CA 1.191 54.218 53.050 -0.038 0.000 0.870 651 N CB 0.005 38.476 38.487 -0.027 0.000 1.124 651 N HN 0.751 nan 8.380 nan 0.000 0.505 652 S N -1.472 114.229 115.700 0.001 0.000 2.406 652 S HA 0.066 4.535 4.470 -0.002 0.000 0.228 652 S C 0.508 175.117 174.600 0.015 0.000 1.020 652 S CA 0.558 58.775 58.200 0.027 0.000 0.965 652 S CB 0.074 63.291 63.200 0.028 0.000 0.798 652 S HN 0.329 nan 8.310 nan 0.000 0.488 653 E N 0.756 120.948 120.200 -0.013 0.000 2.359 653 E HA 0.368 4.717 4.350 -0.002 0.000 0.266 653 E C -1.603 174.976 176.600 -0.036 0.000 0.920 653 E CA -0.977 55.416 56.400 -0.011 0.000 0.788 653 E CB 1.069 30.767 29.700 -0.004 0.000 1.279 653 E HN 0.286 nan 8.360 nan 0.000 0.438 654 D N 1.048 121.441 120.400 -0.012 0.000 2.520 654 D HA -0.079 4.560 4.640 -0.002 0.000 0.243 654 D C 0.734 177.010 176.300 -0.041 0.000 1.160 654 D CA 0.303 54.295 54.000 -0.014 0.000 0.877 654 D CB 0.551 41.363 40.800 0.020 0.000 1.150 654 D HN 0.378 nan 8.370 nan 0.000 0.494 655 L N 3.107 124.262 121.223 -0.113 0.000 2.141 655 L HA -0.074 4.265 4.340 -0.002 0.000 0.209 655 L C 2.323 179.210 176.870 0.027 0.000 1.094 655 L CA 0.900 55.605 54.840 -0.226 0.000 0.763 655 L CB -0.507 41.211 42.059 -0.568 0.000 0.908 655 L HN 0.660 nan 8.230 nan 0.000 0.437 656 E N 0.957 121.204 120.200 0.078 0.000 2.031 656 E HA -0.289 4.060 4.350 -0.002 0.000 0.193 656 E C 2.379 179.083 176.600 0.173 0.000 0.994 656 E CA 1.369 57.858 56.400 0.149 0.000 0.800 656 E CB 0.013 29.782 29.700 0.115 0.000 0.752 656 E HN 0.323 nan 8.360 nan 0.000 0.447 657 R N 0.287 120.857 120.500 0.117 0.000 2.092 657 R HA -0.151 4.188 4.340 -0.002 0.000 0.231 657 R C 2.562 178.941 176.300 0.132 0.000 1.119 657 R CA 1.150 57.317 56.100 0.111 0.000 0.970 657 R CB -0.335 30.008 30.300 0.071 0.000 0.864 657 R HN 0.267 nan 8.270 nan 0.000 0.440 658 L N 0.328 121.622 121.223 0.118 0.000 2.042 658 L HA -0.202 4.137 4.340 -0.002 0.000 0.210 658 L C 2.101 179.114 176.870 0.239 0.000 1.076 658 L CA 1.819 56.736 54.840 0.127 0.000 0.749 658 L CB -0.706 41.383 42.059 0.050 0.000 0.893 658 L HN 0.269 nan 8.230 nan 0.000 0.432 659 Y N 0.017 120.446 120.300 0.214 0.000 2.163 659 Y HA -0.251 4.298 4.550 -0.002 0.000 0.288 659 Y C 2.898 178.937 175.900 0.231 0.000 1.136 659 Y CA 2.075 60.363 58.100 0.313 0.000 1.147 659 Y CB -0.174 38.445 38.460 0.264 0.000 0.987 659 Y HN 0.168 nan 8.280 nan 0.000 0.509 660 R N 0.456 121.161 120.500 0.341 0.000 2.096 660 R HA -0.256 4.083 4.340 -0.002 0.000 0.235 660 R C 2.435 178.766 176.300 0.051 0.000 1.127 660 R CA 1.935 58.145 56.100 0.184 0.000 0.968 660 R CB -0.420 29.980 30.300 0.167 0.000 0.861 660 R HN 0.573 nan 8.270 nan 0.000 0.440 661 Q N -0.474 119.376 119.800 0.084 0.000 2.061 661 Q HA -0.232 4.107 4.340 -0.002 0.000 0.204 661 Q C 1.796 177.819 176.000 0.039 0.000 0.984 661 Q CA 2.131 57.972 55.803 0.063 0.000 0.846 661 Q CB -0.387 28.403 28.738 0.086 0.000 0.902 661 Q HN 0.573 nan 8.270 nan 0.000 0.421 662 W N 0.719 121.919 121.300 -0.167 0.000 2.409 662 W HA -0.057 4.602 4.660 -0.002 0.000 0.299 662 W C 2.138 178.383 176.519 -0.457 0.000 1.203 662 W CA 1.084 58.244 57.345 -0.308 0.000 1.298 662 W CB -0.239 28.990 29.460 -0.386 0.000 1.127 662 W HN 0.009 nan 8.180 nan 0.000 0.528 663 R N 0.569 120.558 120.500 -0.851 0.000 2.115 663 R HA -0.010 4.329 4.340 -0.002 0.000 0.230 663 R C 2.001 178.071 176.300 -0.384 0.000 1.111 663 R CA 1.787 57.282 56.100 -1.008 0.000 0.976 663 R CB -0.976 28.921 30.300 -0.671 0.000 0.870 663 R HN 0.480 nan 8.270 nan 0.000 0.445 664 G N 0.485 109.170 108.800 -0.192 0.000 2.241 664 G HA2 -0.299 3.660 3.960 -0.002 0.000 0.244 664 G HA3 -0.299 3.660 3.960 -0.002 0.000 0.244 664 G C -0.050 174.835 174.900 -0.025 0.000 0.998 664 G CA 0.657 45.720 45.100 -0.061 0.000 0.621 664 G HN 0.520 nan 8.290 nan 0.000 0.519 665 K N -0.990 119.396 120.400 -0.022 0.000 2.615 665 K HA 0.784 5.103 4.320 -0.002 0.000 0.291 665 K C -0.098 176.544 176.600 0.070 0.000 1.017 665 K CA -0.440 55.860 56.287 0.022 0.000 0.882 665 K CB 0.926 33.435 32.500 0.015 0.000 1.522 665 K HN 1.301 nan 8.250 nan 0.000 0.412 666 A N 1.753 124.622 122.820 0.081 0.000 2.483 666 A HA 0.349 4.668 4.320 -0.002 0.000 0.238 666 A C -1.967 175.684 177.584 0.112 0.000 1.070 666 A CA -0.886 51.216 52.037 0.109 0.000 0.770 666 A CB -0.658 18.381 19.000 0.066 0.000 1.008 666 A HN 0.610 nan 8.150 nan 0.000 0.497 667 P HA 0.215 nan 4.420 nan 0.000 0.271 667 P C -0.808 176.500 177.300 0.012 0.000 1.218 667 P CA 0.111 63.250 63.100 0.065 0.000 0.780 667 P CB 0.702 32.316 31.700 -0.144 0.000 0.901 668 K N 1.981 122.397 120.400 0.027 0.000 2.221 668 K HA 0.397 4.716 4.320 -0.002 0.000 0.243 668 K C 0.912 177.520 176.600 0.013 0.000 0.968 668 K CA -0.863 55.433 56.287 0.014 0.000 0.846 668 K CB 1.938 34.452 32.500 0.022 0.000 1.141 668 K HN 0.359 nan 8.250 nan 0.000 0.434 669 I N 1.644 122.216 120.570 0.004 0.000 3.226 669 I HA -0.117 4.052 4.170 -0.002 0.000 0.277 669 I C 1.729 177.858 176.117 0.021 0.000 1.243 669 I CA 0.448 61.754 61.300 0.009 0.000 1.459 669 I CB 0.291 38.271 38.000 -0.034 0.000 1.093 669 I HN 0.696 nan 8.210 nan 0.000 0.453 670 M N 2.098 121.710 119.600 0.021 0.000 2.082 670 M HA -0.121 4.357 4.480 -0.002 0.000 0.258 670 M C -0.975 175.359 176.300 0.057 0.000 1.069 670 M CA 2.361 57.679 55.300 0.030 0.000 1.102 670 M CB -1.523 31.091 32.600 0.024 0.000 1.336 670 M HN 0.003 nan 8.290 nan 0.000 0.404 671 P HA -0.183 nan 4.420 nan 0.000 0.216 671 P C 1.909 179.295 177.300 0.143 0.000 1.153 671 P CA 1.577 64.736 63.100 0.097 0.000 0.858 671 P CB -0.373 31.380 31.700 0.088 0.000 0.789 672 M N -1.068 118.612 119.600 0.135 0.000 2.099 672 M HA -0.132 4.347 4.480 -0.002 0.000 0.262 672 M C 1.826 178.211 176.300 0.140 0.000 1.067 672 M CA 1.821 57.223 55.300 0.171 0.000 1.124 672 M CB -0.678 32.012 32.600 0.150 0.000 1.353 672 M HN -0.155 nan 8.290 nan 0.000 0.410 673 L N -0.054 121.217 121.223 0.081 0.000 2.043 673 L HA -0.280 4.059 4.340 -0.002 0.000 0.212 673 L C 2.507 179.420 176.870 0.072 0.000 1.075 673 L CA 1.688 56.559 54.840 0.052 0.000 0.752 673 L CB -0.925 41.146 42.059 0.021 0.000 0.891 673 L HN 0.467 nan 8.230 nan 0.000 0.432 674 Q N -1.391 118.466 119.800 0.095 0.000 2.049 674 Q HA -0.200 4.139 4.340 -0.002 0.000 0.198 674 Q C 2.296 178.381 176.000 0.141 0.000 0.971 674 Q CA 1.222 57.086 55.803 0.102 0.000 0.833 674 Q CB -0.106 28.694 28.738 0.104 0.000 0.896 674 Q HN 0.512 nan 8.270 nan 0.000 0.434 675 H N 0.078 119.199 119.070 0.084 0.000 2.395 675 H HA 0.016 4.570 4.556 -0.002 0.000 0.299 675 H C 1.099 176.470 175.328 0.072 0.000 1.070 675 H CA 0.827 56.932 56.048 0.096 0.000 1.356 675 H CB 0.572 30.433 29.762 0.164 0.000 1.401 675 H HN 0.019 nan 8.280 nan 0.000 0.524 676 R N -0.129 120.415 120.500 0.072 0.000 2.317 676 R HA 0.094 4.433 4.340 -0.002 0.000 0.208 676 R C 0.894 177.197 176.300 0.006 0.000 0.914 676 R CA 0.564 56.672 56.100 0.013 0.000 1.060 676 R CB 0.051 30.400 30.300 0.082 0.000 1.015 676 R HN 0.464 nan 8.270 nan 0.000 0.498 677 G N 1.781 110.589 108.800 0.013 0.000 2.272 677 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.280 677 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.280 677 G C 0.369 175.281 174.900 0.021 0.000 1.067 677 G CA 0.163 45.274 45.100 0.017 0.000 0.902 677 G HN 0.372 nan 8.290 nan 0.000 0.500 678 L N -1.074 120.162 121.223 0.022 0.000 2.906 678 L HA 0.309 4.648 4.340 -0.002 0.000 0.255 678 L C 1.693 178.566 176.870 0.005 0.000 1.166 678 L CA 0.230 55.076 54.840 0.009 0.000 0.977 678 L CB 0.368 42.427 42.059 -0.000 0.000 1.313 678 L HN 0.192 nan 8.230 nan 0.000 0.549 679 N N 0.711 119.421 118.700 0.016 0.000 2.383 679 N HA 0.170 4.909 4.740 -0.002 0.000 0.192 679 N C 0.444 175.961 175.510 0.012 0.000 1.141 679 N CA 0.156 53.215 53.050 0.014 0.000 0.851 679 N CB 0.260 38.762 38.487 0.025 0.000 0.976 679 N HN 0.231 nan 8.380 nan 0.000 0.465 680 I N 0.000 120.577 120.570 0.011 0.000 2.984 680 I HA 0.000 4.169 4.170 -0.002 0.000 0.288 680 I CA 0.000 61.307 61.300 0.011 0.000 1.566 680 I CB 0.000 38.010 38.000 0.016 0.000 1.214 680 I HN 0.000 nan 8.210 nan 0.000 0.494