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 2q5t_1_A DATA FIRST_RESID 5 DATA SEQUENCE LNIFDEcRSP cSLTPEPGKP IQSKLSIPSD VVLDEGVLYY SMTINDEQXX DATA SEQUENCE XXXXXKGESI ITIGEFATVR ATRHYVNQDA PFGVIHLDIT TENGTKTYSY DATA SEQUENCE NRKEGEFAIN WLVPIGEDSP ASIKISVDEL DQQRNIIEVP KLYSIDLDNQ DATA SEQUENCE TLEQWKTQGN VSFSVTRPEH NIAISWPSVS YKAAQKEGSR HKRWAHWHTG DATA SEQUENCE LALcWLVPMD AIYNXXXXXN cXXXXXXXXX SYETVAGTPK VITVKQGIEQ DATA SEQUENCE KPVEQRIHFS KGNAMSALAA HRVcGVPLET LARSRKPRDL TDDLScAYQA DATA SEQUENCE QNIVSLFVAT RILFSHLDSV FTLNLDEQEP EVAERLSDLR RINENNPGMV DATA SEQUENCE TQVLTVARQI YNDYVTHHPG LTPEQTSAGA QAADILSLFc PDADKScVAS DATA SEQUENCE NNDQANINIE SRSGRSYLPE NRAVITPQGV TNWTYQELEA THQALTREGY DATA SEQUENCE VFVGYHGTNH VAAQTIVNRI APVPRGNNTE NEEKWGGLYV ATHAEVAHGY DATA SEQUENCE ARIKEGTGEY GLPTRAERDA RGVMLRVYIP RASLERFYRT NTPLENAEEH DATA SEQUENCE ITQVIGHSLP LRNEAFTGPE SAGGEDETVI GWDMAIHAVA IPSTIPGNAY DATA SEQUENCE EELAIDEEAV AKEQSISTKP PYKERK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 L HA 0.000 nan 4.340 nan 0.000 0.249 5 L C 0.000 176.874 176.870 0.007 0.000 1.165 5 L CA 0.000 54.849 54.840 0.015 0.000 0.813 5 L CB 0.000 42.066 42.059 0.012 0.000 0.961 6 N N 1.833 120.536 118.700 0.004 0.000 2.508 6 N HA 0.249 4.989 4.740 0.000 0.000 0.253 6 N C 0.773 176.285 175.510 0.004 0.000 1.145 6 N CA 0.022 53.076 53.050 0.005 0.000 0.973 6 N CB 0.681 39.187 38.487 0.031 0.000 1.305 6 N HN 0.834 nan 8.380 nan 0.000 0.506 7 I N 0.649 121.189 120.570 -0.051 0.000 2.676 7 I HA -0.012 4.158 4.170 0.000 0.000 0.259 7 I C 1.042 177.169 176.117 0.017 0.000 1.194 7 I CA 0.852 62.124 61.300 -0.046 0.000 1.473 7 I CB -0.199 37.779 38.000 -0.038 0.000 1.096 7 I HN 0.184 nan 8.210 nan 0.000 0.443 8 F N 1.844 121.831 119.950 0.061 0.000 2.186 8 F HA -0.150 4.377 4.527 0.000 0.000 0.299 8 F C 1.871 177.681 175.800 0.016 0.000 1.090 8 F CA 1.271 59.297 58.000 0.042 0.000 1.307 8 F CB -0.180 38.849 39.000 0.048 0.000 1.019 8 F HN 0.166 nan 8.300 nan 0.000 0.489 9 D N -0.756 119.761 120.400 0.195 0.000 2.240 9 D HA -0.092 4.548 4.640 0.000 0.000 0.206 9 D C 1.834 178.165 176.300 0.052 0.000 0.963 9 D CA 0.677 54.739 54.000 0.103 0.000 0.863 9 D CB 0.041 40.888 40.800 0.079 0.000 0.973 9 D HN 0.089 nan 8.370 nan 0.000 0.501 10 E N -0.776 119.446 120.200 0.036 0.000 2.190 10 E HA 0.073 4.424 4.350 0.000 0.000 0.191 10 E C 0.147 176.729 176.600 -0.030 0.000 0.978 10 E CA 0.414 56.812 56.400 -0.003 0.000 0.839 10 E CB 0.411 30.103 29.700 -0.013 0.000 0.787 10 E HN 0.182 nan 8.360 nan 0.000 0.473 11 c N 1.222 119.807 118.600 -0.025 0.000 2.572 11 c HA 0.435 5.006 4.570 0.000 0.000 0.428 11 c C 1.432 175.480 174.090 -0.069 0.000 1.269 11 c CA -0.770 55.515 56.329 -0.074 0.000 1.640 11 c CB -1.139 41.313 42.510 -0.097 0.000 1.977 11 c HN 0.297 nan 8.230 nan 0.000 0.571 12 R N 1.512 121.978 120.500 -0.056 0.000 2.073 12 R HA -0.028 4.312 4.340 0.000 0.000 0.229 12 R C 1.249 177.443 176.300 -0.176 0.000 1.120 12 R CA 1.041 57.105 56.100 -0.060 0.000 0.967 12 R CB 0.143 30.434 30.300 -0.016 0.000 0.862 12 R HN 0.681 nan 8.270 nan 0.000 0.436 13 S N 0.699 116.287 115.700 -0.187 0.000 2.608 13 S HA 0.435 4.905 4.470 0.000 0.000 0.291 13 S C -2.645 171.775 174.600 -0.299 0.000 1.146 13 S CA -1.949 56.088 58.200 -0.272 0.000 1.043 13 S CB 1.832 64.935 63.200 -0.161 0.000 1.037 13 S HN -0.157 nan 8.310 nan 0.000 0.520 14 P HA 0.092 nan 4.420 nan 0.000 0.258 14 P C -0.128 177.042 177.300 -0.217 0.000 1.172 14 P CA -0.208 62.695 63.100 -0.329 0.000 0.762 14 P CB -0.427 31.097 31.700 -0.294 0.000 0.764 15 c N 1.460 119.936 118.600 -0.206 0.000 2.341 15 c HA 0.698 5.268 4.570 0.000 0.000 0.338 15 c C 0.365 174.345 174.090 -0.184 0.000 1.257 15 c CA -0.656 55.569 56.329 -0.172 0.000 1.883 15 c CB 0.693 43.106 42.510 -0.162 0.000 2.334 15 c HN 0.449 nan 8.230 nan 0.000 0.524 16 S N 3.022 118.632 115.700 -0.150 0.000 2.437 16 S HA 0.739 5.209 4.470 0.000 0.000 0.305 16 S C -0.660 173.859 174.600 -0.135 0.000 1.109 16 S CA -0.461 57.653 58.200 -0.143 0.000 1.099 16 S CB 0.232 63.367 63.200 -0.109 0.000 1.004 16 S HN 0.741 nan 8.310 nan 0.000 0.475 17 L N 3.714 124.846 121.223 -0.152 0.000 2.365 17 L HA 0.540 4.880 4.340 0.000 0.000 0.273 17 L C -0.374 176.455 176.870 -0.068 0.000 1.000 17 L CA -0.663 54.102 54.840 -0.124 0.000 0.819 17 L CB 2.339 44.283 42.059 -0.193 0.000 1.284 17 L HN 0.516 nan 8.230 nan 0.000 0.418 18 T N 1.805 116.338 114.554 -0.034 0.000 3.155 18 T HA 0.373 4.723 4.350 0.000 0.000 0.384 18 T C -2.359 172.353 174.700 0.021 0.000 1.351 18 T CA -1.122 60.977 62.100 -0.001 0.000 1.198 18 T CB 0.638 69.502 68.868 -0.006 0.000 1.106 18 T HN 0.273 nan 8.240 nan 0.000 0.564 19 P HA 0.325 nan 4.420 nan 0.000 0.274 19 P C -0.216 177.111 177.300 0.045 0.000 1.237 19 P CA -0.616 62.515 63.100 0.053 0.000 0.793 19 P CB 0.860 32.611 31.700 0.085 0.000 0.977 20 E N 2.075 122.295 120.200 0.033 0.000 2.146 20 E HA 0.222 4.572 4.350 0.000 0.000 0.282 20 E C -2.182 174.430 176.600 0.020 0.000 0.989 20 E CA -2.039 54.375 56.400 0.024 0.000 0.799 20 E CB 0.269 29.978 29.700 0.015 0.000 1.088 20 E HN 0.291 nan 8.360 nan 0.000 0.397 21 P HA -0.099 nan 4.420 nan 0.000 0.256 21 P C 0.579 177.879 177.300 -0.001 0.000 1.173 21 P CA 1.110 64.212 63.100 0.005 0.000 0.768 21 P CB 0.206 31.905 31.700 -0.002 0.000 0.758 22 G N 2.298 111.096 108.800 -0.004 0.000 2.176 22 G HA2 -0.236 3.724 3.960 0.000 0.000 0.232 22 G HA3 -0.236 3.724 3.960 0.000 0.000 0.232 22 G C 0.231 175.127 174.900 -0.006 0.000 0.986 22 G CA -0.076 45.019 45.100 -0.009 0.000 0.643 22 G HN 0.600 nan 8.290 nan 0.000 0.522 23 K N 1.652 122.053 120.400 0.002 0.000 2.687 23 K HA 0.495 4.815 4.320 0.000 0.000 0.197 23 K C -2.421 174.188 176.600 0.015 0.000 1.049 23 K CA -1.942 54.348 56.287 0.005 0.000 1.030 23 K CB 1.825 34.329 32.500 0.007 0.000 1.261 23 K HN 0.121 nan 8.250 nan 0.000 0.565 24 P HA 0.008 nan 4.420 nan 0.000 0.269 24 P C -0.299 177.022 177.300 0.034 0.000 1.209 24 P CA -0.362 62.750 63.100 0.019 0.000 0.776 24 P CB 0.594 32.283 31.700 -0.018 0.000 0.876 25 I N 1.205 121.825 120.570 0.084 0.000 2.301 25 I HA 0.160 4.330 4.170 0.000 0.000 0.292 25 I C -0.032 176.144 176.117 0.098 0.000 1.046 25 I CA -0.142 61.218 61.300 0.099 0.000 1.282 25 I CB 0.237 38.312 38.000 0.124 0.000 1.409 25 I HN 0.097 nan 8.210 nan 0.000 0.484 26 Q N 5.483 125.305 119.800 0.036 0.000 2.296 26 Q HA 0.384 4.725 4.340 0.000 0.000 0.262 26 Q C -0.685 175.323 176.000 0.014 0.000 0.981 26 Q CA -0.019 55.780 55.803 -0.006 0.000 0.905 26 Q CB 1.423 30.146 28.738 -0.026 0.000 1.186 26 Q HN 0.794 nan 8.270 nan 0.000 0.399 27 S N 2.083 117.777 115.700 -0.010 0.000 2.526 27 S HA 0.482 4.952 4.470 0.000 0.000 0.293 27 S C -0.477 174.092 174.600 -0.052 0.000 1.092 27 S CA -1.006 57.204 58.200 0.017 0.000 0.980 27 S CB 1.585 64.872 63.200 0.146 0.000 1.048 27 S HN 0.470 nan 8.310 nan 0.000 0.483 28 K N 1.340 121.705 120.400 -0.058 0.000 2.123 28 K HA 0.664 4.984 4.320 0.000 0.000 0.259 28 K C -1.225 175.294 176.600 -0.136 0.000 0.960 28 K CA -0.817 55.411 56.287 -0.098 0.000 0.872 28 K CB 0.840 33.298 32.500 -0.070 0.000 1.079 28 K HN 0.464 nan 8.250 nan 0.000 0.440 29 L N 2.635 123.771 121.223 -0.145 0.000 2.435 29 L HA 0.232 4.572 4.340 0.000 0.000 0.253 29 L C -0.823 176.151 176.870 0.173 0.000 1.087 29 L CA -0.559 54.176 54.840 -0.175 0.000 0.950 29 L CB 1.444 43.496 42.059 -0.012 0.000 1.304 29 L HN 0.696 nan 8.230 nan 0.000 0.453 30 S N 3.085 118.925 115.700 0.233 0.000 2.523 30 S HA 0.473 4.943 4.470 0.000 0.000 0.275 30 S C 0.170 174.955 174.600 0.307 0.000 1.281 30 S CA -0.521 57.815 58.200 0.227 0.000 1.050 30 S CB 1.159 64.443 63.200 0.139 0.000 0.937 30 S HN 0.219 nan 8.310 nan 0.000 0.492 31 I N 4.476 125.159 120.570 0.188 0.000 2.371 31 I HA 0.286 4.456 4.170 0.000 0.000 0.290 31 I C -2.143 174.003 176.117 0.048 0.000 1.028 31 I CA -2.963 58.392 61.300 0.093 0.000 1.345 31 I CB -0.168 37.871 38.000 0.065 0.000 1.407 31 I HN 0.291 nan 8.210 nan 0.000 0.501 32 P HA 0.035 nan 4.420 nan 0.000 0.265 32 P C 0.962 178.261 177.300 -0.003 0.000 1.193 32 P CA 0.091 63.196 63.100 0.008 0.000 0.765 32 P CB 0.492 32.185 31.700 -0.011 0.000 0.823 33 S N 1.325 117.026 115.700 0.002 0.000 2.442 33 S HA -0.190 4.280 4.470 0.000 0.000 0.236 33 S C 1.124 175.718 174.600 -0.010 0.000 1.007 33 S CA 1.344 59.543 58.200 -0.002 0.000 0.965 33 S CB -0.824 62.378 63.200 0.002 0.000 0.773 33 S HN 0.548 nan 8.310 nan 0.000 0.504 34 D N 1.130 121.523 120.400 -0.012 0.000 2.347 34 D HA 0.096 4.736 4.640 0.000 0.000 0.215 34 D C 0.550 176.836 176.300 -0.024 0.000 0.976 34 D CA -0.055 53.937 54.000 -0.014 0.000 0.884 34 D CB -0.435 40.359 40.800 -0.009 0.000 0.915 34 D HN 0.359 nan 8.370 nan 0.000 0.526 35 V N 1.374 121.265 119.914 -0.038 0.000 2.488 35 V HA 0.189 4.309 4.120 0.000 0.000 0.277 35 V C -0.360 175.687 176.094 -0.079 0.000 1.046 35 V CA -0.605 61.657 62.300 -0.063 0.000 0.986 35 V CB 1.279 33.049 31.823 -0.089 0.000 0.989 35 V HN -0.013 nan 8.190 nan 0.000 0.475 36 V N 8.644 128.513 119.914 -0.076 0.000 2.364 36 V HA 0.382 4.502 4.120 0.000 0.000 0.272 36 V C 0.120 176.129 176.094 -0.141 0.000 1.036 36 V CA -0.375 61.881 62.300 -0.074 0.000 0.880 36 V CB 1.157 32.962 31.823 -0.030 0.000 0.991 36 V HN 0.685 nan 8.190 nan 0.000 0.460 37 L N 4.758 125.876 121.223 -0.175 0.000 2.282 37 L HA 0.579 4.919 4.340 0.000 0.000 0.288 37 L C 0.099 176.943 176.870 -0.044 0.000 1.033 37 L CA -0.261 54.403 54.840 -0.294 0.000 0.807 37 L CB 1.426 43.267 42.059 -0.362 0.000 1.209 37 L HN 0.548 nan 8.230 nan 0.000 0.423 38 D N 1.595 122.061 120.400 0.110 0.000 2.440 38 D HA 0.081 4.721 4.640 0.000 0.000 0.258 38 D C -0.362 176.100 176.300 0.269 0.000 1.092 38 D CA -0.549 53.556 54.000 0.174 0.000 1.016 38 D CB 1.532 42.435 40.800 0.173 0.000 1.141 38 D HN 0.522 nan 8.370 nan 0.000 0.552 39 E N -0.391 119.933 120.200 0.206 0.000 2.765 39 E HA 0.202 4.553 4.350 0.000 0.000 0.256 39 E C -0.110 176.668 176.600 0.297 0.000 0.935 39 E CA 0.381 56.925 56.400 0.241 0.000 0.954 39 E CB -0.004 29.826 29.700 0.217 0.000 0.908 39 E HN 0.536 nan 8.360 nan 0.000 0.500 40 G N 1.952 110.965 108.800 0.355 0.000 2.392 40 G HA2 0.293 4.253 3.960 0.000 0.000 0.260 40 G HA3 0.293 4.253 3.960 0.000 0.000 0.260 40 G C -1.437 173.623 174.900 0.266 0.000 1.226 40 G CA -0.248 45.017 45.100 0.274 0.000 0.913 40 G HN 0.498 nan 8.290 nan 0.000 0.483 41 V N 0.757 120.730 119.914 0.098 0.000 2.709 41 V HA 0.594 4.714 4.120 0.000 0.000 0.308 41 V C -0.342 175.883 176.094 0.219 0.000 1.062 41 V CA -0.579 61.730 62.300 0.016 0.000 0.901 41 V CB 1.675 33.160 31.823 -0.563 0.000 1.003 41 V HN 0.622 nan 8.190 nan 0.000 0.425 42 L N 4.478 125.841 121.223 0.234 0.000 2.272 42 L HA 0.489 4.829 4.340 0.000 0.000 0.289 42 L C -0.910 176.057 176.870 0.161 0.000 1.032 42 L CA -0.489 54.465 54.840 0.190 0.000 0.810 42 L CB 1.114 43.258 42.059 0.142 0.000 1.205 42 L HN 0.727 nan 8.230 nan 0.000 0.422 43 Y N 4.087 124.325 120.300 -0.103 0.000 2.385 43 Y HA 0.358 4.908 4.550 0.000 0.000 0.341 43 Y C -1.014 174.682 175.900 -0.339 0.000 0.965 43 Y CA -0.845 57.154 58.100 -0.168 0.000 1.180 43 Y CB 0.559 38.855 38.460 -0.273 0.000 1.139 43 Y HN 0.385 nan 8.280 nan 0.000 0.502 44 Y N 3.814 123.788 120.300 -0.542 0.000 2.361 44 Y HA 0.474 5.024 4.550 0.000 0.000 0.332 44 Y C 0.139 175.473 175.900 -0.944 0.000 1.101 44 Y CA -0.297 57.247 58.100 -0.927 0.000 1.137 44 Y CB 2.065 39.471 38.460 -1.757 0.000 1.207 44 Y HN 0.531 nan 8.280 nan 0.000 0.463 45 S N 4.362 119.780 115.700 -0.470 0.000 2.572 45 S HA 0.729 5.199 4.470 0.000 0.000 0.274 45 S C -1.319 173.363 174.600 0.137 0.000 1.150 45 S CA -0.743 57.380 58.200 -0.129 0.000 0.944 45 S CB 0.418 63.468 63.200 -0.251 0.000 1.071 45 S HN 0.638 nan 8.310 nan 0.000 0.479 46 M N 3.215 123.012 119.600 0.328 0.000 2.326 46 M HA 0.379 4.859 4.480 0.000 0.000 0.306 46 M C -0.763 175.685 176.300 0.247 0.000 1.054 46 M CA -0.587 54.899 55.300 0.310 0.000 0.922 46 M CB 2.394 35.229 32.600 0.393 0.000 1.632 46 M HN 0.486 nan 8.290 nan 0.000 0.436 47 T N 4.122 118.781 114.554 0.175 0.000 2.799 47 T HA 0.581 4.932 4.350 0.000 0.000 0.286 47 T C -0.251 174.408 174.700 -0.067 0.000 0.973 47 T CA -0.441 61.711 62.100 0.088 0.000 1.035 47 T CB 0.760 69.740 68.868 0.186 0.000 0.932 47 T HN 0.339 nan 8.240 nan 0.000 0.469 48 I N 3.805 124.185 120.570 -0.317 0.000 2.433 48 I HA 0.428 4.598 4.170 0.000 0.000 0.292 48 I C 0.018 175.865 176.117 -0.450 0.000 1.001 48 I CA -0.931 60.085 61.300 -0.473 0.000 1.119 48 I CB 1.656 39.162 38.000 -0.823 0.000 1.289 48 I HN 0.530 nan 8.210 nan 0.000 0.438 49 N N 5.398 123.958 118.700 -0.234 0.000 2.491 49 N HA 0.210 4.951 4.740 0.000 0.000 0.274 49 N C -0.615 174.849 175.510 -0.076 0.000 1.023 49 N CA -0.368 52.607 53.050 -0.126 0.000 0.902 49 N CB 1.480 39.917 38.487 -0.083 0.000 1.267 49 N HN 0.521 nan 8.380 nan 0.000 0.503 50 D N 1.469 121.868 120.400 -0.002 0.000 2.615 50 D HA 0.056 4.696 4.640 0.000 0.000 0.236 50 D C 0.063 176.355 176.300 -0.012 0.000 1.233 50 D CA -0.245 53.768 54.000 0.021 0.000 0.829 50 D CB -0.088 40.822 40.800 0.185 0.000 1.024 50 D HN 0.516 nan 8.370 nan 0.000 0.490 51 E N 0.545 120.730 120.200 -0.025 0.000 2.392 51 E HA 0.010 4.360 4.350 0.000 0.000 0.264 51 E C -0.167 176.387 176.600 -0.076 0.000 1.024 51 E CA -0.016 56.369 56.400 -0.024 0.000 0.903 51 E CB 0.632 30.322 29.700 -0.018 0.000 0.963 51 E HN 0.122 nan 8.360 nan 0.000 0.432 61 G N 0.902 109.631 108.800 -0.120 0.000 2.634 61 G HA2 0.281 4.241 3.960 0.000 0.000 0.255 61 G HA3 0.281 4.241 3.960 0.000 0.000 0.255 61 G C -0.756 173.979 174.900 -0.274 0.000 1.205 61 G CA 0.002 44.925 45.100 -0.294 0.000 0.884 61 G HN 0.106 nan 8.290 nan 0.000 0.549 62 E N -0.679 119.355 120.200 -0.276 0.000 2.234 62 E HA 0.432 4.782 4.350 0.000 0.000 0.266 62 E C -0.844 175.703 176.600 -0.089 0.000 0.877 62 E CA -0.546 55.794 56.400 -0.100 0.000 0.758 62 E CB 1.349 31.036 29.700 -0.022 0.000 1.170 62 E HN 0.297 nan 8.360 nan 0.000 0.415 63 S N 4.280 120.023 115.700 0.072 0.000 2.452 63 S HA 0.417 4.887 4.470 0.000 0.000 0.284 63 S C -0.169 174.522 174.600 0.152 0.000 1.171 63 S CA -0.471 57.836 58.200 0.177 0.000 1.064 63 S CB 0.242 63.631 63.200 0.316 0.000 0.967 63 S HN 0.384 nan 8.310 nan 0.000 0.484 64 I N 4.147 124.787 120.570 0.118 0.000 2.355 64 I HA 0.432 4.602 4.170 0.000 0.000 0.288 64 I C -1.040 175.108 176.117 0.052 0.000 0.999 64 I CA -0.587 60.750 61.300 0.062 0.000 1.163 64 I CB 1.146 39.149 38.000 0.006 0.000 1.316 64 I HN 0.426 nan 8.210 nan 0.000 0.454 65 I N 5.360 125.941 120.570 0.019 0.000 2.410 65 I HA 0.291 4.461 4.170 0.000 0.000 0.286 65 I C 0.394 176.388 176.117 -0.204 0.000 1.009 65 I CA -0.284 60.956 61.300 -0.100 0.000 1.111 65 I CB 1.920 39.945 38.000 0.042 0.000 1.262 65 I HN 0.537 nan 8.210 nan 0.000 0.443 66 T N 4.585 118.954 114.554 -0.309 0.000 2.837 66 T HA 0.678 5.028 4.350 0.000 0.000 0.285 66 T C -0.233 174.209 174.700 -0.430 0.000 0.984 66 T CA -0.640 61.264 62.100 -0.327 0.000 1.049 66 T CB 1.175 69.879 68.868 -0.272 0.000 0.947 66 T HN 0.242 nan 8.240 nan 0.000 0.472 67 I N 3.315 123.545 120.570 -0.568 0.000 2.405 67 I HA 0.493 4.664 4.170 0.000 0.000 0.280 67 I C 1.410 176.897 176.117 -1.050 0.000 1.027 67 I CA 0.013 60.837 61.300 -0.794 0.000 1.161 67 I CB -0.200 37.127 38.000 -1.123 0.000 1.300 67 I HN 1.200 nan 8.210 nan 0.000 0.463 68 G N 6.943 115.493 108.800 -0.417 0.000 2.596 68 G HA2 -0.290 3.670 3.960 0.000 0.000 0.295 68 G HA3 -0.290 3.670 3.960 0.000 0.000 0.295 68 G C 0.417 175.113 174.900 -0.340 0.000 1.240 68 G CA 0.262 45.235 45.100 -0.211 0.000 0.985 68 G HN 0.634 nan 8.290 nan 0.000 0.555 69 E N 0.434 120.504 120.200 -0.216 0.000 2.538 69 E HA 0.316 4.667 4.350 0.000 0.000 0.207 69 E C 1.540 178.080 176.600 -0.099 0.000 1.002 69 E CA 0.487 56.812 56.400 -0.126 0.000 0.952 69 E CB 0.177 29.881 29.700 0.006 0.000 1.031 69 E HN 0.531 nan 8.360 nan 0.000 0.476 70 F N -0.831 119.069 119.950 -0.084 0.000 2.678 70 F HA 0.532 5.059 4.527 0.000 0.000 0.291 70 F C 0.583 176.297 175.800 -0.143 0.000 1.123 70 F CA -0.706 57.229 58.000 -0.109 0.000 1.395 70 F CB 0.450 39.383 39.000 -0.111 0.000 1.121 70 F HN -0.169 nan 8.300 nan 0.000 0.592 71 A N 0.332 122.923 122.820 -0.382 0.000 2.455 71 A HA 0.730 5.050 4.320 0.000 0.000 0.300 71 A C -0.872 176.530 177.584 -0.304 0.000 1.040 71 A CA -0.482 51.403 52.037 -0.253 0.000 0.697 71 A CB 0.973 19.861 19.000 -0.187 0.000 1.265 71 A HN 0.122 nan 8.150 nan 0.000 0.407 72 T N 1.595 116.032 114.554 -0.195 0.000 2.841 72 T HA 0.542 4.892 4.350 0.000 0.000 0.285 72 T C -0.660 173.968 174.700 -0.120 0.000 0.991 72 T CA -0.397 61.602 62.100 -0.169 0.000 0.966 72 T CB 1.341 70.126 68.868 -0.139 0.000 0.962 72 T HN 0.565 nan 8.240 nan 0.000 0.438 73 V N 4.431 124.290 119.914 -0.092 0.000 2.394 73 V HA 0.547 4.668 4.120 0.000 0.000 0.282 73 V C 0.150 176.237 176.094 -0.011 0.000 1.031 73 V CA -0.797 61.473 62.300 -0.050 0.000 0.881 73 V CB 1.101 32.939 31.823 0.024 0.000 0.982 73 V HN 0.712 nan 8.190 nan 0.000 0.451 74 R N 3.101 123.585 120.500 -0.027 0.000 2.513 74 R HA 0.820 5.161 4.340 0.000 0.000 0.301 74 R C -0.740 175.564 176.300 0.006 0.000 0.968 74 R CA -0.406 55.712 56.100 0.030 0.000 0.872 74 R CB 2.271 32.596 30.300 0.041 0.000 1.177 74 R HN 0.820 nan 8.270 nan 0.000 0.444 75 A N 1.694 124.540 122.820 0.045 0.000 2.393 75 A HA 0.682 5.002 4.320 0.000 0.000 0.306 75 A C -0.389 177.253 177.584 0.096 0.000 1.050 75 A CA -0.704 51.334 52.037 0.000 0.000 0.724 75 A CB 1.636 20.656 19.000 0.033 0.000 1.248 75 A HN 0.679 nan 8.150 nan 0.000 0.424 76 T N -0.741 113.843 114.554 0.050 0.000 2.942 76 T HA 0.647 4.997 4.350 0.000 0.000 0.289 76 T C 0.469 175.226 174.700 0.096 0.000 1.044 76 T CA -0.784 61.378 62.100 0.104 0.000 1.023 76 T CB 1.980 70.878 68.868 0.050 0.000 1.123 76 T HN 0.528 nan 8.240 nan 0.000 0.512 77 R N -0.560 120.052 120.500 0.187 0.000 2.342 77 R HA 0.130 4.470 4.340 0.000 0.000 0.204 77 R C 0.388 176.801 176.300 0.188 0.000 0.882 77 R CA 0.160 56.379 56.100 0.198 0.000 1.041 77 R CB -0.038 30.411 30.300 0.250 0.000 1.188 77 R HN 0.939 nan 8.270 nan 0.000 0.598 78 H N -2.168 116.991 119.070 0.148 0.000 2.679 78 H HA 0.042 4.598 4.556 0.000 0.000 0.369 78 H C -0.521 174.889 175.328 0.136 0.000 1.178 78 H CA -0.562 55.577 56.048 0.151 0.000 1.419 78 H CB 0.121 29.957 29.762 0.124 0.000 1.458 78 H HN -0.066 nan 8.280 nan 0.000 0.605 79 Y N 3.116 123.455 120.300 0.066 0.000 2.802 79 Y HA -0.017 4.533 4.550 0.000 0.000 0.351 79 Y C 0.381 176.251 175.900 -0.050 0.000 1.237 79 Y CA -0.006 58.070 58.100 -0.041 0.000 1.599 79 Y CB -0.156 38.299 38.460 -0.008 0.000 1.214 79 Y HN 0.549 nan 8.280 nan 0.000 0.520 80 V N 5.197 124.876 119.914 -0.393 0.000 2.284 80 V HA -0.127 3.993 4.120 0.000 0.000 0.236 80 V C 0.451 176.374 176.094 -0.285 0.000 1.044 80 V CA 1.750 63.887 62.300 -0.271 0.000 1.019 80 V CB -0.421 31.232 31.823 -0.283 0.000 0.657 80 V HN 0.875 nan 8.190 nan 0.000 0.465 81 N N -1.182 117.215 118.700 -0.504 0.000 3.343 81 N HA 0.177 4.917 4.740 0.000 0.000 0.330 81 N C 0.653 175.785 175.510 -0.630 0.000 1.560 81 N CA -0.555 52.259 53.050 -0.394 0.000 0.752 81 N CB 0.183 38.572 38.487 -0.164 0.000 1.863 81 N HN 0.103 nan 8.380 nan 0.000 0.636 82 Q N -0.394 119.274 119.800 -0.221 0.000 2.124 82 Q HA -0.111 4.229 4.340 0.000 0.000 0.202 82 Q C -0.098 175.796 176.000 -0.177 0.000 0.977 82 Q CA 1.924 57.658 55.803 -0.114 0.000 0.850 82 Q CB -0.665 28.080 28.738 0.010 0.000 0.901 82 Q HN 0.669 nan 8.270 nan 0.000 0.429 83 D N 1.421 121.723 120.400 -0.163 0.000 2.317 83 D HA 0.130 4.770 4.640 0.000 0.000 0.211 83 D C 0.078 176.278 176.300 -0.167 0.000 0.966 83 D CA 1.100 55.025 54.000 -0.125 0.000 0.876 83 D CB 0.313 41.066 40.800 -0.079 0.000 0.927 83 D HN 0.391 nan 8.370 nan 0.000 0.519 84 A N 0.508 123.160 122.820 -0.281 0.000 3.159 84 A HA 0.398 4.718 4.320 0.000 0.000 0.330 84 A C -2.030 175.243 177.584 -0.518 0.000 1.032 84 A CA -1.032 50.825 52.037 -0.300 0.000 0.841 84 A CB 0.769 19.627 19.000 -0.236 0.000 1.093 84 A HN -0.121 nan 8.150 nan 0.000 0.478 85 P HA 0.032 nan 4.420 nan 0.000 0.229 85 P C 0.278 177.138 177.300 -0.733 0.000 1.160 85 P CA 1.048 63.626 63.100 -0.870 0.000 0.777 85 P CB -0.064 31.032 31.700 -1.007 0.000 0.814 86 F N -1.263 118.644 119.950 -0.072 0.000 2.764 86 F HA 0.528 5.055 4.527 0.001 0.000 0.310 86 F C 1.305 177.066 175.800 -0.064 0.000 1.124 86 F CA -0.186 57.806 58.000 -0.015 0.000 1.252 86 F CB 0.463 39.480 39.000 0.027 0.000 1.010 86 F HN -0.060 nan 8.300 nan 0.000 0.518 87 G N 0.458 109.212 108.800 -0.076 0.000 2.631 87 G HA2 0.004 3.965 3.960 0.000 0.000 0.504 87 G HA3 0.004 3.965 3.960 0.000 0.000 0.504 87 G C -1.459 173.340 174.900 -0.168 0.000 1.306 87 G CA -0.912 44.087 45.100 -0.169 0.000 0.897 87 G HN 0.068 nan 8.290 nan 0.000 0.520 88 V N 0.123 119.895 119.914 -0.236 0.000 2.823 88 V HA 0.712 4.832 4.120 0.000 0.000 0.312 88 V C 0.398 176.168 176.094 -0.539 0.000 1.072 88 V CA -0.751 61.317 62.300 -0.386 0.000 0.937 88 V CB 1.953 33.492 31.823 -0.473 0.000 1.013 88 V HN 0.765 nan 8.190 nan 0.000 0.430 89 I N 3.723 123.839 120.570 -0.758 0.000 2.354 89 I HA 0.443 4.613 4.170 0.000 0.000 0.292 89 I C -0.489 175.114 176.117 -0.857 0.000 0.989 89 I CA -0.417 60.372 61.300 -0.853 0.000 1.188 89 I CB 0.934 38.269 38.000 -1.108 0.000 1.342 89 I HN 0.594 nan 8.210 nan 0.000 0.457 90 H N 6.427 125.290 119.070 -0.345 0.000 2.469 90 H HA 0.451 5.007 4.556 0.000 0.000 0.342 90 H C -1.020 174.180 175.328 -0.213 0.000 1.115 90 H CA -0.836 55.070 56.048 -0.236 0.000 1.204 90 H CB 2.695 32.354 29.762 -0.172 0.000 1.492 90 H HN 0.300 nan 8.280 nan 0.000 0.499 91 L N 3.895 125.090 121.223 -0.047 0.000 2.319 91 L HA 0.295 4.635 4.340 0.000 0.000 0.281 91 L C -0.794 176.038 176.870 -0.063 0.000 1.005 91 L CA -0.502 54.287 54.840 -0.085 0.000 0.828 91 L CB 1.073 43.038 42.059 -0.157 0.000 1.227 91 L HN 0.462 nan 8.230 nan 0.000 0.415 92 D N 6.579 126.929 120.400 -0.084 0.000 2.232 92 D HA 0.399 5.039 4.640 0.000 0.000 0.242 92 D C -0.320 175.936 176.300 -0.073 0.000 1.093 92 D CA 0.278 54.225 54.000 -0.089 0.000 0.845 92 D CB 2.100 42.838 40.800 -0.104 0.000 1.124 92 D HN 0.429 nan 8.370 nan 0.000 0.467 93 I N 1.770 122.321 120.570 -0.033 0.000 2.354 93 I HA 0.113 4.283 4.170 0.000 0.000 0.286 93 I C 0.003 176.103 176.117 -0.028 0.000 1.007 93 I CA -0.324 60.972 61.300 -0.007 0.000 1.167 93 I CB 1.426 39.457 38.000 0.051 0.000 1.320 93 I HN 0.029 nan 8.210 nan 0.000 0.458 94 T N 4.382 118.917 114.554 -0.030 0.000 2.749 94 T HA 0.483 4.833 4.350 0.000 0.000 0.287 94 T C 0.315 174.990 174.700 -0.042 0.000 0.970 94 T CA -0.597 61.480 62.100 -0.039 0.000 0.980 94 T CB 1.151 69.996 68.868 -0.038 0.000 0.924 94 T HN 0.720 nan 8.240 nan 0.000 0.456 95 T N 0.276 114.777 114.554 -0.088 0.000 2.718 95 T HA 0.455 4.805 4.350 0.000 0.000 0.267 95 T C 1.015 175.700 174.700 -0.025 0.000 0.957 95 T CA -0.827 61.204 62.100 -0.115 0.000 1.025 95 T CB 0.938 69.557 68.868 -0.414 0.000 1.355 95 T HN 0.276 nan 8.240 nan 0.000 0.572 96 E N 1.487 121.703 120.200 0.027 0.000 2.160 96 E HA -0.098 4.252 4.350 0.000 0.000 0.195 96 E C 1.393 178.015 176.600 0.037 0.000 0.991 96 E CA 1.405 57.834 56.400 0.048 0.000 0.810 96 E CB -0.211 29.536 29.700 0.079 0.000 0.742 96 E HN 0.694 nan 8.360 nan 0.000 0.466 97 N N -0.012 118.712 118.700 0.039 0.000 2.376 97 N HA 0.144 4.884 4.740 0.000 0.000 0.249 97 N C 0.427 175.945 175.510 0.014 0.000 1.140 97 N CA 0.645 53.717 53.050 0.037 0.000 0.870 97 N CB 0.520 39.047 38.487 0.067 0.000 1.124 97 N HN 0.115 nan 8.380 nan 0.000 0.505 98 G N -0.237 108.560 108.800 -0.005 0.000 2.549 98 G HA2 -0.154 3.807 3.960 0.000 0.000 0.404 98 G HA3 -0.154 3.807 3.960 0.000 0.000 0.404 98 G C -1.304 173.577 174.900 -0.033 0.000 1.292 98 G CA -0.578 44.512 45.100 -0.017 0.000 0.935 98 G HN 0.255 nan 8.290 nan 0.000 0.512 99 T N 1.848 116.377 114.554 -0.042 0.000 2.779 99 T HA 0.627 4.977 4.350 0.000 0.000 0.280 99 T C 0.117 174.771 174.700 -0.077 0.000 0.987 99 T CA -0.430 61.635 62.100 -0.059 0.000 0.966 99 T CB 1.312 70.138 68.868 -0.070 0.000 0.933 99 T HN 0.738 nan 8.240 nan 0.000 0.442 100 K N 1.506 121.854 120.400 -0.088 0.000 2.267 100 K HA 0.763 5.083 4.320 0.000 0.000 0.246 100 K C -0.930 175.456 176.600 -0.357 0.000 0.954 100 K CA -0.932 55.231 56.287 -0.206 0.000 0.824 100 K CB 1.652 34.036 32.500 -0.193 0.000 1.167 100 K HN 0.332 nan 8.250 nan 0.000 0.431 101 T N 1.765 116.002 114.554 -0.529 0.000 2.829 101 T HA 0.422 4.772 4.350 0.000 0.000 0.280 101 T C -1.393 172.901 174.700 -0.677 0.000 0.999 101 T CA -0.536 61.302 62.100 -0.437 0.000 0.983 101 T CB 0.287 69.016 68.868 -0.232 0.000 0.968 101 T HN 0.387 nan 8.240 nan 0.000 0.446 102 Y N 1.544 121.817 120.300 -0.044 0.000 2.338 102 Y HA 0.544 5.094 4.550 0.000 0.000 0.333 102 Y C 0.520 176.422 175.900 0.004 0.000 0.968 102 Y CA -0.974 57.131 58.100 0.009 0.000 1.123 102 Y CB 1.683 40.149 38.460 0.010 0.000 1.165 102 Y HN 0.674 nan 8.280 nan 0.000 0.452 103 S N 2.710 118.492 115.700 0.136 0.000 2.566 103 S HA 0.869 5.339 4.470 0.000 0.000 0.298 103 S C -1.376 173.250 174.600 0.043 0.000 1.083 103 S CA -0.742 57.436 58.200 -0.036 0.000 0.978 103 S CB 1.718 64.901 63.200 -0.027 0.000 1.073 103 S HN 0.620 nan 8.310 nan 0.000 0.491 104 Y N -0.886 119.340 120.300 -0.124 0.000 2.588 104 Y HA 0.643 5.193 4.550 0.000 0.000 0.343 104 Y C -1.104 174.718 175.900 -0.129 0.000 1.065 104 Y CA -1.389 56.659 58.100 -0.088 0.000 1.038 104 Y CB 0.596 39.037 38.460 -0.032 0.000 1.297 104 Y HN 0.564 nan 8.280 nan 0.000 0.467 105 N N 2.540 121.330 118.700 0.149 0.000 2.488 105 N HA 0.275 5.015 4.740 0.000 0.000 0.274 105 N C -0.761 174.848 175.510 0.164 0.000 1.111 105 N CA -0.506 52.574 53.050 0.050 0.000 0.974 105 N CB 1.087 39.578 38.487 0.008 0.000 1.089 105 N HN 0.621 nan 8.380 nan 0.000 0.465 106 R N 1.526 122.087 120.500 0.102 0.000 2.390 106 R HA 0.157 4.497 4.340 0.000 0.000 0.291 106 R C 0.987 177.446 176.300 0.265 0.000 1.070 106 R CA -0.055 56.158 56.100 0.188 0.000 1.014 106 R CB 1.226 31.607 30.300 0.135 0.000 1.007 106 R HN 0.483 nan 8.270 nan 0.000 0.466 107 K N 1.205 121.741 120.400 0.227 0.000 2.367 107 K HA 0.107 4.427 4.320 0.000 0.000 0.195 107 K C 0.169 176.810 176.600 0.068 0.000 1.060 107 K CA 0.390 56.799 56.287 0.204 0.000 1.022 107 K CB 0.726 33.307 32.500 0.135 0.000 0.894 107 K HN 0.499 nan 8.250 nan 0.000 0.540 108 E N -0.581 119.665 120.200 0.078 0.000 2.355 108 E HA 0.273 4.624 4.350 0.000 0.000 0.261 108 E C 0.247 176.873 176.600 0.044 0.000 0.943 108 E CA -0.571 55.841 56.400 0.019 0.000 0.806 108 E CB 1.556 31.303 29.700 0.079 0.000 1.286 108 E HN 0.108 nan 8.360 nan 0.000 0.424 109 G N 0.002 108.819 108.800 0.027 0.000 3.277 109 G HA2 0.126 4.086 3.960 0.000 0.000 0.243 109 G HA3 0.126 4.086 3.960 0.000 0.000 0.243 109 G C 0.190 175.159 174.900 0.114 0.000 1.107 109 G CA 0.016 45.155 45.100 0.066 0.000 0.771 109 G HN 0.193 nan 8.290 nan 0.000 0.544 110 E N -0.424 119.862 120.200 0.144 0.000 2.340 110 E HA 0.584 4.934 4.350 0.000 0.000 0.273 110 E C -1.552 175.200 176.600 0.253 0.000 0.891 110 E CA -0.942 55.523 56.400 0.107 0.000 0.757 110 E CB 2.458 32.192 29.700 0.056 0.000 1.231 110 E HN 0.185 nan 8.360 nan 0.000 0.439 111 F N -0.766 119.264 119.950 0.132 0.000 2.619 111 F HA 0.803 5.330 4.527 0.000 0.000 0.308 111 F C -1.276 174.636 175.800 0.187 0.000 1.097 111 F CA -1.245 56.852 58.000 0.162 0.000 0.953 111 F CB 1.073 40.176 39.000 0.170 0.000 1.287 111 F HN 0.404 nan 8.300 nan 0.000 0.446 112 A N 3.493 126.545 122.820 0.386 0.000 2.276 112 A HA 0.768 5.088 4.320 0.000 0.000 0.316 112 A C -0.747 177.109 177.584 0.452 0.000 1.229 112 A CA -0.744 51.494 52.037 0.335 0.000 0.851 112 A CB 0.345 19.517 19.000 0.288 0.000 1.165 112 A HN 0.761 nan 8.150 nan 0.000 0.513 113 I N 3.402 124.251 120.570 0.466 0.000 2.312 113 I HA 0.205 4.375 4.170 0.000 0.000 0.291 113 I C -0.424 176.077 176.117 0.640 0.000 1.031 113 I CA -0.330 61.285 61.300 0.525 0.000 1.293 113 I CB 0.683 38.970 38.000 0.479 0.000 1.403 113 I HN 0.518 nan 8.210 nan 0.000 0.484 114 N N 7.315 126.389 118.700 0.623 0.000 2.354 114 N HA 0.503 5.243 4.740 0.000 0.000 0.287 114 N C -1.451 174.504 175.510 0.741 0.000 1.016 114 N CA -0.547 52.893 53.050 0.650 0.000 0.871 114 N CB 2.109 40.930 38.487 0.556 0.000 1.299 114 N HN 0.650 nan 8.380 nan 0.000 0.482 115 W N 1.526 123.060 121.300 0.391 0.000 3.107 115 W HA 0.699 5.359 4.660 0.001 0.000 0.331 115 W C -1.961 174.780 176.519 0.370 0.000 1.204 115 W CA -0.990 56.524 57.345 0.283 0.000 1.184 115 W CB 0.923 30.463 29.460 0.134 0.000 1.421 115 W HN 0.125 nan 8.180 nan 0.000 0.544 116 L N 3.638 125.096 121.223 0.391 0.000 2.343 116 L HA 0.607 4.947 4.340 0.000 0.000 0.278 116 L C -0.640 176.432 176.870 0.337 0.000 0.996 116 L CA -1.310 53.715 54.840 0.310 0.000 0.831 116 L CB 1.569 43.745 42.059 0.195 0.000 1.232 116 L HN 0.367 nan 8.230 nan 0.000 0.413 117 V N 4.496 124.598 119.914 0.314 0.000 2.357 117 V HA 0.376 4.496 4.120 0.000 0.000 0.284 117 V C -2.041 174.140 176.094 0.146 0.000 1.018 117 V CA -1.754 60.696 62.300 0.251 0.000 0.841 117 V CB 1.536 33.570 31.823 0.350 0.000 0.991 117 V HN 0.548 nan 8.190 nan 0.000 0.437 118 P HA 0.327 nan 4.420 nan 0.000 0.275 118 P C -0.996 176.233 177.300 -0.118 0.000 1.227 118 P CA -0.149 62.783 63.100 -0.280 0.000 0.781 118 P CB 1.129 32.293 31.700 -0.893 0.000 0.906 119 I N 1.355 121.916 120.570 -0.016 0.000 2.474 119 I HA 0.693 4.863 4.170 0.000 0.000 0.294 119 I C 0.854 176.996 176.117 0.042 0.000 1.005 119 I CA -0.237 61.100 61.300 0.063 0.000 1.113 119 I CB 0.684 38.793 38.000 0.182 0.000 1.289 119 I HN 0.703 nan 8.210 nan 0.000 0.436 120 G N 4.725 113.532 108.800 0.013 0.000 2.592 120 G HA2 -0.078 3.883 3.960 0.000 0.000 0.685 120 G HA3 -0.078 3.883 3.960 0.000 0.000 0.685 120 G C 0.161 175.033 174.900 -0.048 0.000 1.278 120 G CA -0.700 44.409 45.100 0.016 0.000 0.822 120 G HN 0.635 nan 8.290 nan 0.000 0.652 121 E N -0.219 119.965 120.200 -0.026 0.000 2.265 121 E HA -0.105 4.245 4.350 0.000 0.000 0.196 121 E C 1.069 177.622 176.600 -0.078 0.000 0.996 121 E CA 1.257 57.629 56.400 -0.046 0.000 0.832 121 E CB 0.166 29.853 29.700 -0.020 0.000 0.756 121 E HN 0.461 nan 8.360 nan 0.000 0.491 122 D N 0.048 120.407 120.400 -0.069 0.000 2.369 122 D HA -0.000 4.640 4.640 0.000 0.000 0.211 122 D C 0.433 176.591 176.300 -0.237 0.000 1.077 122 D CA 0.159 54.108 54.000 -0.085 0.000 0.842 122 D CB 0.306 41.109 40.800 0.005 0.000 0.947 122 D HN 0.022 nan 8.370 nan 0.000 0.509 123 S N 0.554 116.021 115.700 -0.388 0.000 2.603 123 S HA 0.434 4.904 4.470 0.000 0.000 0.268 123 S C -2.594 171.425 174.600 -0.968 0.000 1.317 123 S CA -1.279 56.319 58.200 -1.003 0.000 1.012 123 S CB 1.570 64.272 63.200 -0.830 0.000 0.926 123 S HN -0.238 nan 8.310 nan 0.000 0.539 124 P HA 0.133 nan 4.420 nan 0.000 0.267 124 P C -0.385 176.579 177.300 -0.559 0.000 1.201 124 P CA 0.071 62.616 63.100 -0.925 0.000 0.775 124 P CB 0.245 31.086 31.700 -1.432 0.000 0.854 125 A N 1.340 123.975 122.820 -0.309 0.000 2.734 125 A HA 0.395 4.715 4.320 0.000 0.000 0.279 125 A C 0.118 177.658 177.584 -0.074 0.000 1.386 125 A CA 0.207 52.138 52.037 -0.177 0.000 0.987 125 A CB -0.893 18.024 19.000 -0.138 0.000 1.041 125 A HN 0.489 nan 8.150 nan 0.000 0.569 126 S N -0.553 115.147 115.700 -0.001 0.000 2.564 126 S HA 0.742 5.212 4.470 0.000 0.000 0.274 126 S C -0.572 174.174 174.600 0.244 0.000 1.124 126 S CA -0.768 57.526 58.200 0.157 0.000 0.869 126 S CB 1.229 64.640 63.200 0.351 0.000 1.105 126 S HN 0.844 nan 8.310 nan 0.000 0.472 127 I N -1.442 119.180 120.570 0.087 0.000 2.707 127 I HA 0.770 4.941 4.170 0.000 0.000 0.309 127 I C -0.825 175.337 176.117 0.076 0.000 1.001 127 I CA -0.810 60.550 61.300 0.100 0.000 1.129 127 I CB 1.056 38.948 38.000 -0.180 0.000 1.308 127 I HN 0.391 nan 8.210 nan 0.000 0.466 128 K N 4.859 125.305 120.400 0.076 0.000 2.221 128 K HA 0.636 4.956 4.320 0.000 0.000 0.258 128 K C -1.174 175.522 176.600 0.160 0.000 0.944 128 K CA -0.379 55.908 56.287 0.000 0.000 0.823 128 K CB 2.240 34.638 32.500 -0.169 0.000 1.113 128 K HN 0.846 nan 8.250 nan 0.000 0.431 129 I N 0.695 121.376 120.570 0.185 0.000 2.730 129 I HA 0.375 4.545 4.170 0.000 0.000 0.298 129 I C -1.027 175.270 176.117 0.300 0.000 1.089 129 I CA -0.270 61.200 61.300 0.283 0.000 1.041 129 I CB 1.945 40.081 38.000 0.227 0.000 1.235 129 I HN 0.793 nan 8.210 nan 0.000 0.423 130 S N 5.260 121.153 115.700 0.323 0.000 2.556 130 S HA 0.692 5.162 4.470 0.000 0.000 0.271 130 S C -1.398 173.395 174.600 0.322 0.000 1.135 130 S CA -0.753 57.638 58.200 0.318 0.000 0.858 130 S CB 1.857 65.205 63.200 0.247 0.000 1.114 130 S HN 0.346 nan 8.310 nan 0.000 0.468 131 V N 2.244 122.345 119.914 0.312 0.000 2.334 131 V HA 0.494 4.615 4.120 0.000 0.000 0.281 131 V C -1.125 175.184 176.094 0.359 0.000 1.016 131 V CA -0.510 61.985 62.300 0.326 0.000 0.832 131 V CB 1.113 33.053 31.823 0.195 0.000 0.999 131 V HN 0.927 nan 8.190 nan 0.000 0.439 132 D N 3.865 124.479 120.400 0.357 0.000 2.425 132 D HA 0.322 4.962 4.640 0.000 0.000 0.240 132 D C -0.036 176.459 176.300 0.326 0.000 1.080 132 D CA -0.422 53.745 54.000 0.280 0.000 0.836 132 D CB 2.091 43.022 40.800 0.218 0.000 1.125 132 D HN 0.527 nan 8.370 nan 0.000 0.525 133 E N 1.428 121.807 120.200 0.298 0.000 2.415 133 E HA 0.232 4.582 4.350 0.000 0.000 0.262 133 E C -0.234 176.484 176.600 0.197 0.000 1.038 133 E CA 0.060 56.637 56.400 0.294 0.000 0.921 133 E CB 1.141 30.993 29.700 0.254 0.000 0.950 133 E HN 0.295 nan 8.360 nan 0.000 0.438 134 L N 2.470 123.803 121.223 0.183 0.000 2.365 134 L HA 0.247 4.587 4.340 0.000 0.000 0.273 134 L C 0.100 177.023 176.870 0.089 0.000 1.000 134 L CA -1.141 53.772 54.840 0.121 0.000 0.819 134 L CB 1.510 43.641 42.059 0.121 0.000 1.284 134 L HN 0.574 nan 8.230 nan 0.000 0.418 135 D N 0.546 120.981 120.400 0.058 0.000 2.356 135 D HA 0.006 4.646 4.640 0.000 0.000 0.258 135 D C 0.542 176.863 176.300 0.035 0.000 1.279 135 D CA -0.171 53.850 54.000 0.036 0.000 1.016 135 D CB 0.533 41.346 40.800 0.021 0.000 1.107 135 D HN 0.523 nan 8.370 nan 0.000 0.544 136 Q N -1.623 118.190 119.800 0.021 0.000 2.435 136 Q HA -0.077 4.263 4.340 0.000 0.000 0.207 136 Q C 1.190 177.204 176.000 0.024 0.000 0.956 136 Q CA 0.714 56.531 55.803 0.024 0.000 0.917 136 Q CB 0.000 28.747 28.738 0.014 0.000 0.997 136 Q HN 0.406 nan 8.270 nan 0.000 0.497 137 Q N 0.309 120.118 119.800 0.015 0.000 2.360 137 Q HA 0.116 4.456 4.340 0.000 0.000 0.202 137 Q C -0.334 175.663 176.000 -0.004 0.000 0.915 137 Q CA 0.081 55.886 55.803 0.004 0.000 0.943 137 Q CB 0.286 29.024 28.738 -0.001 0.000 1.064 137 Q HN 0.162 nan 8.270 nan 0.000 0.511 138 R N 0.789 121.296 120.500 0.012 0.000 3.418 138 R HA -0.143 4.197 4.340 0.000 0.000 0.274 138 R C -1.396 174.912 176.300 0.014 0.000 1.108 138 R CA 0.215 56.322 56.100 0.012 0.000 0.741 138 R CB -1.560 28.718 30.300 -0.036 0.000 1.223 138 R HN 0.209 nan 8.270 nan 0.000 0.434 139 N N 1.071 119.784 118.700 0.022 0.000 2.456 139 N HA 0.342 5.082 4.740 0.000 0.000 0.296 139 N C 0.500 176.033 175.510 0.039 0.000 1.102 139 N CA -0.331 52.732 53.050 0.022 0.000 0.924 139 N CB 1.070 39.563 38.487 0.009 0.000 1.186 139 N HN 0.349 nan 8.380 nan 0.000 0.492 140 I N -1.038 119.556 120.570 0.039 0.000 2.575 140 I HA 0.265 4.435 4.170 0.000 0.000 0.285 140 I C 1.278 177.403 176.117 0.015 0.000 1.085 140 I CA -0.351 60.974 61.300 0.042 0.000 1.403 140 I CB 0.442 38.469 38.000 0.045 0.000 1.409 140 I HN 0.569 nan 8.210 nan 0.000 0.557 141 I N -0.412 120.165 120.570 0.012 0.000 4.082 141 I HA 0.467 4.637 4.170 0.000 0.000 0.337 141 I C -0.003 176.095 176.117 -0.032 0.000 1.352 141 I CA 0.088 61.385 61.300 -0.006 0.000 1.097 141 I CB 0.084 38.090 38.000 0.009 0.000 1.048 141 I HN 0.554 nan 8.210 nan 0.000 0.393 142 E N 1.381 121.555 120.200 -0.044 0.000 2.356 142 E HA 0.370 4.720 4.350 0.000 0.000 0.275 142 E C -0.974 175.588 176.600 -0.062 0.000 0.904 142 E CA -0.811 55.545 56.400 -0.073 0.000 0.757 142 E CB 3.671 33.294 29.700 -0.127 0.000 1.232 142 E HN -0.127 nan 8.360 nan 0.000 0.442 143 V N 3.614 123.487 119.914 -0.068 0.000 2.493 143 V HA 0.027 4.147 4.120 0.000 0.000 0.292 143 V C -2.009 174.068 176.094 -0.028 0.000 1.016 143 V CA -0.745 61.529 62.300 -0.044 0.000 1.097 143 V CB -0.283 31.526 31.823 -0.024 0.000 0.947 143 V HN 0.451 nan 8.190 nan 0.000 0.479 144 P HA 0.090 nan 4.420 nan 0.000 0.265 144 P C -0.489 176.807 177.300 -0.007 0.000 1.187 144 P CA 0.115 63.226 63.100 0.019 0.000 0.766 144 P CB 0.330 32.065 31.700 0.057 0.000 0.820 145 K N 2.879 123.271 120.400 -0.013 0.000 2.281 145 K HA 0.336 4.656 4.320 0.000 0.000 0.272 145 K C -0.494 176.020 176.600 -0.143 0.000 1.048 145 K CA -0.764 55.458 56.287 -0.107 0.000 0.898 145 K CB 0.608 33.053 32.500 -0.092 0.000 1.128 145 K HN 0.293 nan 8.250 nan 0.000 0.460 146 L N 3.470 124.550 121.223 -0.238 0.000 2.350 146 L HA 0.297 4.637 4.340 0.000 0.000 0.275 146 L C -0.886 175.717 176.870 -0.445 0.000 1.099 146 L CA -0.133 54.598 54.840 -0.183 0.000 0.808 146 L CB 0.351 42.336 42.059 -0.122 0.000 1.149 146 L HN 0.412 nan 8.230 nan 0.000 0.442 147 Y N 1.486 121.741 120.300 -0.075 0.000 2.350 147 Y HA 0.453 5.003 4.550 0.000 0.000 0.338 147 Y C 0.188 176.037 175.900 -0.083 0.000 0.961 147 Y CA -0.522 57.516 58.100 -0.104 0.000 1.100 147 Y CB 2.125 40.523 38.460 -0.103 0.000 1.179 147 Y HN 0.473 nan 8.280 nan 0.000 0.454 148 S N 4.547 120.250 115.700 0.005 0.000 2.462 148 S HA 0.748 5.218 4.470 0.000 0.000 0.294 148 S C -0.838 173.815 174.600 0.088 0.000 1.144 148 S CA -0.426 57.763 58.200 -0.019 0.000 1.088 148 S CB 0.035 63.134 63.200 -0.168 0.000 1.009 148 S HN 0.546 nan 8.310 nan 0.000 0.484 149 I N 3.655 124.275 120.570 0.083 0.000 2.447 149 I HA 0.325 4.495 4.170 0.000 0.000 0.287 149 I C -0.886 175.310 176.117 0.133 0.000 1.023 149 I CA -0.958 60.429 61.300 0.146 0.000 1.083 149 I CB 1.975 39.961 38.000 -0.023 0.000 1.245 149 I HN 0.439 nan 8.210 nan 0.000 0.434 150 D N 7.159 127.725 120.400 0.276 0.000 2.389 150 D HA 0.516 5.156 4.640 0.000 0.000 0.247 150 D C -0.367 175.975 176.300 0.071 0.000 1.128 150 D CA 0.360 54.407 54.000 0.077 0.000 0.884 150 D CB 1.268 42.008 40.800 -0.099 0.000 1.194 150 D HN 0.283 nan 8.370 nan 0.000 0.441 151 L N 1.550 122.768 121.223 -0.009 0.000 2.371 151 L HA 0.311 4.651 4.340 0.000 0.000 0.262 151 L C 0.031 176.903 176.870 0.002 0.000 1.006 151 L CA -1.328 53.508 54.840 -0.008 0.000 0.818 151 L CB 1.875 43.888 42.059 -0.076 0.000 1.354 151 L HN 0.293 nan 8.230 nan 0.000 0.415 152 D N -0.339 120.078 120.400 0.029 0.000 2.371 152 D HA 0.021 4.661 4.640 0.000 0.000 0.242 152 D C 0.475 176.789 176.300 0.023 0.000 1.218 152 D CA -0.353 53.660 54.000 0.021 0.000 0.945 152 D CB 0.494 41.313 40.800 0.032 0.000 1.137 152 D HN 0.320 nan 8.370 nan 0.000 0.464 153 N N -0.135 118.572 118.700 0.011 0.000 2.149 153 N HA -0.197 4.543 4.740 0.000 0.000 0.188 153 N C 1.473 177.006 175.510 0.037 0.000 1.019 153 N CA 0.970 54.026 53.050 0.010 0.000 0.857 153 N CB -0.304 38.182 38.487 -0.003 0.000 0.997 153 N HN 0.623 nan 8.380 nan 0.000 0.426 154 Q N 0.189 120.015 119.800 0.044 0.000 2.050 154 Q HA -0.096 4.245 4.340 0.000 0.000 0.202 154 Q C 1.340 177.396 176.000 0.094 0.000 0.980 154 Q CA 1.638 57.474 55.803 0.056 0.000 0.840 154 Q CB 0.001 28.766 28.738 0.045 0.000 0.898 154 Q HN 0.337 nan 8.270 nan 0.000 0.424 155 T N 1.397 116.026 114.554 0.125 0.000 2.746 155 T HA -0.113 4.238 4.350 0.000 0.000 0.267 155 T C 1.849 176.730 174.700 0.302 0.000 1.039 155 T CA 1.041 63.277 62.100 0.228 0.000 1.142 155 T CB -0.158 68.853 68.868 0.239 0.000 0.866 155 T HN 0.222 nan 8.240 nan 0.000 0.444 156 L N 0.519 121.848 121.223 0.177 0.000 2.056 156 L HA -0.074 4.266 4.340 0.000 0.000 0.207 156 L C 2.713 179.695 176.870 0.187 0.000 1.078 156 L CA 1.416 56.352 54.840 0.159 0.000 0.749 156 L CB -0.496 41.589 42.059 0.042 0.000 0.901 156 L HN 0.281 nan 8.230 nan 0.000 0.433 157 E N -0.492 119.785 120.200 0.127 0.000 2.106 157 E HA -0.273 4.077 4.350 0.000 0.000 0.192 157 E C 2.097 178.769 176.600 0.120 0.000 0.984 157 E CA 0.880 57.343 56.400 0.105 0.000 0.806 157 E CB 0.002 29.738 29.700 0.060 0.000 0.750 157 E HN 0.318 nan 8.360 nan 0.000 0.458 158 Q N -0.013 119.859 119.800 0.119 0.000 2.096 158 Q HA -0.181 4.159 4.340 0.000 0.000 0.204 158 Q C 1.153 177.168 176.000 0.025 0.000 0.982 158 Q CA 1.607 57.432 55.803 0.037 0.000 0.850 158 Q CB -0.311 28.418 28.738 -0.014 0.000 0.901 158 Q HN 0.373 nan 8.270 nan 0.000 0.422 159 W N 0.553 121.936 121.300 0.139 0.000 2.961 159 W HA 0.097 4.757 4.660 0.000 0.000 0.240 159 W C 1.947 178.628 176.519 0.270 0.000 1.305 159 W CA 0.464 57.932 57.345 0.206 0.000 1.465 159 W CB 0.137 29.722 29.460 0.208 0.000 1.135 159 W HN 0.164 nan 8.180 nan 0.000 0.688 160 K N 0.253 120.853 120.400 0.334 0.000 2.155 160 K HA -0.119 4.201 4.320 0.000 0.000 0.203 160 K C 1.691 178.395 176.600 0.173 0.000 1.052 160 K CA 1.918 58.345 56.287 0.233 0.000 0.948 160 K CB 0.021 32.605 32.500 0.140 0.000 0.728 160 K HN 0.243 nan 8.250 nan 0.000 0.448 161 T N -3.295 111.339 114.554 0.134 0.000 3.019 161 T HA 0.077 4.427 4.350 0.000 0.000 0.247 161 T C 0.527 175.275 174.700 0.080 0.000 0.992 161 T CA -0.399 61.752 62.100 0.086 0.000 1.036 161 T CB 0.420 69.311 68.868 0.039 0.000 1.063 161 T HN 0.132 nan 8.240 nan 0.000 0.476 162 Q N 0.464 120.265 119.800 0.002 0.000 2.444 162 Q HA 0.529 4.870 4.340 0.000 0.000 0.239 162 Q C -0.799 174.939 176.000 -0.437 0.000 0.853 162 Q CA -0.636 55.107 55.803 -0.101 0.000 0.856 162 Q CB 1.331 30.016 28.738 -0.088 0.000 1.413 162 Q HN 0.517 nan 8.270 nan 0.000 0.437 163 G N 2.497 110.907 108.800 -0.650 0.000 2.504 163 G HA2 0.415 4.375 3.960 0.000 0.000 0.288 163 G HA3 0.415 4.375 3.960 0.000 0.000 0.288 163 G C -0.555 173.832 174.900 -0.854 0.000 1.182 163 G CA -0.341 43.702 45.100 -1.762 0.000 0.894 163 G HN 0.639 nan 8.290 nan 0.000 0.521 164 N N -0.515 117.753 118.700 -0.721 0.000 2.314 164 N HA 0.535 5.275 4.740 0.000 0.000 0.294 164 N C -0.471 174.976 175.510 -0.105 0.000 1.029 164 N CA -0.319 52.570 53.050 -0.268 0.000 0.845 164 N CB 2.488 40.851 38.487 -0.206 0.000 1.321 164 N HN 0.506 nan 8.380 nan 0.000 0.481 165 V N -1.201 118.632 119.914 -0.135 0.000 3.102 165 V HA 0.899 5.019 4.120 0.000 0.000 0.312 165 V C -0.114 175.766 176.094 -0.356 0.000 1.135 165 V CA -0.828 61.322 62.300 -0.250 0.000 1.022 165 V CB 1.676 33.348 31.823 -0.251 0.000 1.056 165 V HN 0.740 nan 8.190 nan 0.000 0.436 166 S N 0.868 116.252 115.700 -0.526 0.000 2.588 166 S HA 0.877 5.347 4.470 0.000 0.000 0.275 166 S C -1.448 172.728 174.600 -0.706 0.000 1.130 166 S CA -0.625 57.296 58.200 -0.465 0.000 0.855 166 S CB 1.909 64.980 63.200 -0.215 0.000 1.116 166 S HN 0.821 nan 8.310 nan 0.000 0.472 167 F N 1.094 121.034 119.950 -0.017 0.000 2.507 167 F HA 0.697 5.224 4.527 0.000 0.000 0.328 167 F C 0.390 176.193 175.800 0.004 0.000 1.136 167 F CA -0.393 57.607 58.000 0.001 0.000 0.930 167 F CB 2.452 41.456 39.000 0.007 0.000 1.166 167 F HN 0.644 nan 8.300 nan 0.000 0.436 168 S N 1.652 117.442 115.700 0.150 0.000 2.599 168 S HA 0.876 5.347 4.470 0.000 0.000 0.294 168 S C -1.079 173.581 174.600 0.100 0.000 1.094 168 S CA -0.816 57.439 58.200 0.091 0.000 0.931 168 S CB 2.587 65.803 63.200 0.027 0.000 1.093 168 S HN 0.302 nan 8.310 nan 0.000 0.488 169 V N 1.438 121.393 119.914 0.068 0.000 2.925 169 V HA 0.393 4.513 4.120 0.000 0.000 0.311 169 V C 1.155 177.241 176.094 -0.014 0.000 1.104 169 V CA -0.593 61.730 62.300 0.038 0.000 0.954 169 V CB 2.192 34.080 31.823 0.108 0.000 1.022 169 V HN 1.125 nan 8.190 nan 0.000 0.427 170 T N 0.511 115.022 114.554 -0.071 0.000 2.937 170 T HA 0.159 4.509 4.350 0.000 0.000 0.260 170 T C 0.765 175.432 174.700 -0.055 0.000 1.051 170 T CA 0.507 62.569 62.100 -0.063 0.000 1.141 170 T CB 0.101 68.924 68.868 -0.075 0.000 0.879 170 T HN 0.462 nan 8.240 nan 0.000 0.459 171 R N 2.106 122.561 120.500 -0.075 0.000 2.460 171 R HA 0.444 4.784 4.340 0.000 0.000 0.303 171 R C -2.981 173.333 176.300 0.023 0.000 0.968 171 R CA -2.491 53.590 56.100 -0.031 0.000 0.889 171 R CB 1.002 31.276 30.300 -0.042 0.000 1.123 171 R HN 0.180 nan 8.270 nan 0.000 0.455 172 P HA -0.114 nan 4.420 nan 0.000 0.263 172 P C -0.750 176.586 177.300 0.060 0.000 1.175 172 P CA 0.587 63.708 63.100 0.035 0.000 0.761 172 P CB 0.276 31.988 31.700 0.020 0.000 0.794 173 E N -0.435 119.802 120.200 0.061 0.000 2.240 173 E HA -0.280 4.070 4.350 0.000 0.000 0.194 173 E C -0.249 176.411 176.600 0.100 0.000 1.385 173 E CA 0.575 57.011 56.400 0.059 0.000 0.686 173 E CB -1.709 28.011 29.700 0.032 0.000 1.125 173 E HN 0.592 nan 8.360 nan 0.000 0.359 174 H N 0.527 119.604 119.070 0.013 0.000 2.529 174 H HA 0.471 5.027 4.556 0.000 0.000 0.348 174 H C -0.552 174.785 175.328 0.016 0.000 1.079 174 H CA -0.927 55.134 56.048 0.021 0.000 1.198 174 H CB 1.046 30.827 29.762 0.032 0.000 1.521 174 H HN 0.131 nan 8.280 nan 0.000 0.514 175 N N 4.064 122.561 118.700 -0.338 0.000 2.455 175 N HA 0.278 5.019 4.740 0.000 0.000 0.280 175 N C -1.187 174.219 175.510 -0.173 0.000 1.055 175 N CA -0.348 52.583 53.050 -0.197 0.000 0.961 175 N CB 0.640 39.022 38.487 -0.175 0.000 1.121 175 N HN 0.509 nan 8.380 nan 0.000 0.476 176 I N 2.210 122.727 120.570 -0.088 0.000 2.382 176 I HA 0.450 4.621 4.170 0.000 0.000 0.286 176 I C -0.285 175.731 176.117 -0.168 0.000 1.002 176 I CA -0.999 60.248 61.300 -0.089 0.000 1.135 176 I CB 1.706 39.681 38.000 -0.040 0.000 1.288 176 I HN 0.485 nan 8.210 nan 0.000 0.448 177 A N 7.569 130.293 122.820 -0.159 0.000 2.274 177 A HA 0.793 5.114 4.320 0.000 0.000 0.309 177 A C -0.579 176.882 177.584 -0.205 0.000 1.226 177 A CA -0.358 51.570 52.037 -0.181 0.000 0.853 177 A CB 0.334 19.249 19.000 -0.142 0.000 1.146 177 A HN 0.638 nan 8.150 nan 0.000 0.518 178 I N 2.548 122.972 120.570 -0.244 0.000 2.354 178 I HA 0.405 4.575 4.170 0.000 0.000 0.292 178 I C 0.485 176.481 176.117 -0.201 0.000 0.989 178 I CA 0.331 61.506 61.300 -0.207 0.000 1.188 178 I CB 1.970 39.817 38.000 -0.256 0.000 1.342 178 I HN 0.652 nan 8.210 nan 0.000 0.457 179 S N 2.975 118.573 115.700 -0.169 0.000 2.568 179 S HA 0.604 5.074 4.470 0.000 0.000 0.293 179 S C -1.062 173.447 174.600 -0.150 0.000 1.089 179 S CA -0.880 57.110 58.200 -0.351 0.000 0.945 179 S CB 0.663 63.596 63.200 -0.446 0.000 1.077 179 S HN 0.702 nan 8.310 nan 0.000 0.485 180 W N 0.027 121.346 121.300 0.032 0.000 6.351 180 W HA -0.102 4.558 4.660 0.000 0.000 0.403 180 W C -2.451 174.111 176.519 0.072 0.000 1.540 180 W CA -0.193 57.177 57.345 0.041 0.000 1.055 180 W CB -2.198 27.277 29.460 0.024 0.000 2.721 180 W HN 0.556 nan 8.180 nan 0.000 1.542 181 P HA 0.307 nan 4.420 nan 0.000 0.282 181 P C 0.111 177.660 177.300 0.416 0.000 1.262 181 P CA 0.458 63.757 63.100 0.331 0.000 0.773 181 P CB 1.658 33.538 31.700 0.301 0.000 0.879 182 S N 2.023 117.887 115.700 0.273 0.000 2.556 182 S HA 0.560 5.030 4.470 0.000 0.000 0.271 182 S C -1.081 173.362 174.600 -0.262 0.000 1.135 182 S CA -0.894 57.259 58.200 -0.078 0.000 0.858 182 S CB 1.789 64.903 63.200 -0.143 0.000 1.114 182 S HN 0.309 nan 8.310 nan 0.000 0.468 183 V N 1.797 121.392 119.914 -0.532 0.000 2.444 183 V HA 0.774 4.894 4.120 0.000 0.000 0.294 183 V C -0.850 174.983 176.094 -0.434 0.000 1.022 183 V CA -0.023 61.911 62.300 -0.610 0.000 0.850 183 V CB 1.437 32.792 31.823 -0.779 0.000 0.992 183 V HN 1.099 nan 8.190 nan 0.000 0.426 184 S N 5.966 121.438 115.700 -0.379 0.000 2.568 184 S HA 0.744 5.214 4.470 0.000 0.000 0.302 184 S C -1.484 173.177 174.600 0.103 0.000 1.082 184 S CA -0.422 57.671 58.200 -0.178 0.000 1.009 184 S CB 1.794 64.759 63.200 -0.392 0.000 1.069 184 S HN 0.858 nan 8.310 nan 0.000 0.500 185 Y N 2.124 122.540 120.300 0.192 0.000 2.442 185 Y HA 0.571 5.121 4.550 0.000 0.000 0.344 185 Y C -1.277 174.858 175.900 0.392 0.000 0.976 185 Y CA -0.862 57.398 58.100 0.266 0.000 1.040 185 Y CB 1.123 39.649 38.460 0.111 0.000 1.228 185 Y HN 0.652 nan 8.280 nan 0.000 0.451 186 K N 4.663 124.917 120.400 -0.243 0.000 2.443 186 K HA 0.888 5.208 4.320 0.000 0.000 0.252 186 K C -1.315 174.853 176.600 -0.719 0.000 0.933 186 K CA -1.045 54.965 56.287 -0.463 0.000 0.792 186 K CB 2.323 34.715 32.500 -0.180 0.000 1.185 186 K HN 0.697 nan 8.250 nan 0.000 0.425 187 A N 2.065 124.481 122.820 -0.672 0.000 2.371 187 A HA 0.568 4.888 4.320 0.000 0.000 0.257 187 A C -0.058 177.463 177.584 -0.106 0.000 1.089 187 A CA -0.427 51.421 52.037 -0.315 0.000 0.794 187 A CB 0.407 19.388 19.000 -0.031 0.000 1.029 187 A HN 0.881 nan 8.150 nan 0.000 0.488 188 A N 0.813 123.623 122.820 -0.017 0.000 2.309 188 A HA 0.596 4.917 4.320 0.000 0.000 0.298 188 A C 0.462 178.038 177.584 -0.014 0.000 1.165 188 A CA -0.114 51.899 52.037 -0.041 0.000 0.821 188 A CB 0.999 19.958 19.000 -0.069 0.000 1.102 188 A HN 0.999 nan 8.150 nan 0.000 0.500 189 Q N 0.265 120.041 119.800 -0.041 0.000 2.201 189 Q HA 0.101 4.441 4.340 0.000 0.000 0.200 189 Q C -0.265 175.692 176.000 -0.072 0.000 0.710 189 Q CA 0.277 56.031 55.803 -0.082 0.000 0.865 189 Q CB 0.389 29.051 28.738 -0.127 0.000 1.271 189 Q HN 0.732 nan 8.270 nan 0.000 0.435 190 K N 1.452 121.822 120.400 -0.051 0.000 2.168 190 K HA 0.224 4.544 4.320 0.000 0.000 0.239 190 K C -0.806 175.773 176.600 -0.035 0.000 0.999 190 K CA -0.317 55.951 56.287 -0.031 0.000 0.900 190 K CB 0.780 33.273 32.500 -0.013 0.000 1.111 190 K HN 0.026 nan 8.250 nan 0.000 0.452 191 E N 1.134 121.323 120.200 -0.018 0.000 2.161 191 E HA 0.074 4.424 4.350 0.000 0.000 0.263 191 E C 0.211 176.799 176.600 -0.021 0.000 1.185 191 E CA -0.121 56.269 56.400 -0.018 0.000 0.938 191 E CB 0.202 29.908 29.700 0.010 0.000 1.023 191 E HN 0.687 nan 8.360 nan 0.000 0.433 192 G N 2.659 111.438 108.800 -0.036 0.000 3.137 192 G HA2 0.019 3.980 3.960 0.000 0.000 0.163 192 G HA3 0.019 3.980 3.960 0.000 0.000 0.163 192 G C -0.003 174.882 174.900 -0.024 0.000 1.602 192 G CA -0.472 44.611 45.100 -0.028 0.000 1.067 192 G HN 0.437 nan 8.290 nan 0.000 0.568 193 S N -0.151 115.536 115.700 -0.021 0.000 2.531 193 S HA 0.151 4.621 4.470 0.000 0.000 0.279 193 S C 1.680 176.265 174.600 -0.026 0.000 1.305 193 S CA -0.382 57.808 58.200 -0.016 0.000 1.058 193 S CB 0.949 64.156 63.200 0.012 0.000 0.899 193 S HN 0.517 nan 8.310 nan 0.000 0.493 194 R N 3.451 123.906 120.500 -0.074 0.000 2.062 194 R HA -0.093 4.247 4.340 0.000 0.000 0.231 194 R C 1.401 177.711 176.300 0.016 0.000 1.136 194 R CA 1.928 57.992 56.100 -0.060 0.000 0.948 194 R CB -1.057 29.123 30.300 -0.201 0.000 0.845 194 R HN 0.859 nan 8.270 nan 0.000 0.430 195 H N 0.439 119.577 119.070 0.115 0.000 2.456 195 H HA -0.030 4.526 4.556 0.000 0.000 0.296 195 H C 2.009 177.399 175.328 0.103 0.000 1.079 195 H CA 0.999 57.112 56.048 0.109 0.000 1.322 195 H CB 0.072 29.874 29.762 0.067 0.000 1.388 195 H HN 0.224 nan 8.280 nan 0.000 0.538 196 K N 0.985 121.477 120.400 0.154 0.000 2.025 196 K HA -0.100 4.220 4.320 0.000 0.000 0.207 196 K C 2.362 179.000 176.600 0.063 0.000 1.049 196 K CA 1.084 57.426 56.287 0.092 0.000 0.933 196 K CB 0.135 32.660 32.500 0.043 0.000 0.714 196 K HN 0.297 nan 8.250 nan 0.000 0.438 197 R N -1.154 119.338 120.500 -0.013 0.000 2.236 197 R HA -0.079 4.261 4.340 0.000 0.000 0.208 197 R C 0.971 177.168 176.300 -0.172 0.000 1.036 197 R CA 1.015 57.024 56.100 -0.152 0.000 1.001 197 R CB -0.210 29.895 30.300 -0.324 0.000 0.896 197 R HN 0.231 nan 8.270 nan 0.000 0.464 198 W N -0.124 121.252 121.300 0.127 0.000 3.127 198 W HA 0.452 5.112 4.660 0.000 0.000 0.344 198 W C 1.905 178.423 176.519 -0.001 0.000 1.151 198 W CA -0.095 57.264 57.345 0.023 0.000 1.765 198 W CB 0.681 30.075 29.460 -0.111 0.000 1.085 198 W HN 0.159 nan 8.180 nan 0.000 0.596 199 A N 1.090 124.067 122.820 0.262 0.000 1.958 199 A HA -0.328 3.992 4.320 0.000 0.000 0.221 199 A C 1.867 179.571 177.584 0.201 0.000 1.178 199 A CA 2.243 54.400 52.037 0.200 0.000 0.642 199 A CB -1.356 17.743 19.000 0.165 0.000 0.816 199 A HN 0.600 nan 8.150 nan 0.000 0.453 200 H N -3.285 115.926 119.070 0.235 0.000 2.518 200 H HA -0.178 4.378 4.556 0.000 0.000 0.289 200 H C 1.990 177.526 175.328 0.346 0.000 1.051 200 H CA 1.036 57.215 56.048 0.219 0.000 1.280 200 H CB -0.671 29.190 29.762 0.165 0.000 1.380 200 H HN 0.832 nan 8.280 nan 0.000 0.566 201 W N 2.271 123.387 121.300 -0.307 0.000 2.358 201 W HA -0.186 4.474 4.660 0.000 0.000 0.303 201 W C 0.413 177.064 176.519 0.220 0.000 1.208 201 W CA 1.270 58.549 57.345 -0.109 0.000 1.274 201 W CB -0.147 29.263 29.460 -0.083 0.000 1.138 201 W HN 0.294 nan 8.180 nan 0.000 0.515 202 H N 0.204 119.340 119.070 0.110 0.000 2.640 202 H HA 0.158 4.714 4.556 0.000 0.000 0.312 202 H C 0.412 175.729 175.328 -0.018 0.000 1.110 202 H CA 0.863 56.916 56.048 0.007 0.000 1.098 202 H CB -0.439 29.361 29.762 0.063 0.000 1.485 202 H HN -0.137 nan 8.280 nan 0.000 0.526 203 T N -5.445 109.169 114.554 0.100 0.000 2.888 203 T HA 0.431 4.781 4.350 0.000 0.000 0.288 203 T C 1.761 176.459 174.700 -0.003 0.000 1.063 203 T CA -0.479 61.644 62.100 0.037 0.000 1.010 203 T CB 1.415 70.304 68.868 0.036 0.000 1.214 203 T HN 0.040 nan 8.240 nan 0.000 0.533 204 G N -0.037 108.730 108.800 -0.054 0.000 2.479 204 G HA2 -0.045 3.915 3.960 0.000 0.000 0.220 204 G HA3 -0.045 3.915 3.960 0.000 0.000 0.220 204 G C 1.280 176.136 174.900 -0.075 0.000 1.115 204 G CA 0.504 45.573 45.100 -0.052 0.000 0.757 204 G HN 0.717 nan 8.290 nan 0.000 0.560 205 L N 0.527 121.686 121.223 -0.106 0.000 2.456 205 L HA -0.000 4.340 4.340 0.000 0.000 0.224 205 L C 3.211 180.128 176.870 0.079 0.000 1.148 205 L CA 0.437 55.238 54.840 -0.064 0.000 0.825 205 L CB -0.314 41.701 42.059 -0.074 0.000 0.937 205 L HN 0.300 nan 8.230 nan 0.000 0.450 206 A N 0.304 123.234 122.820 0.183 0.000 1.978 206 A HA -0.208 4.112 4.320 0.000 0.000 0.220 206 A C 2.289 180.012 177.584 0.231 0.000 1.170 206 A CA 1.254 53.464 52.037 0.289 0.000 0.636 206 A CB -0.556 18.441 19.000 -0.005 0.000 0.810 206 A HN 0.409 nan 8.150 nan 0.000 0.448 207 L N -0.432 120.849 121.223 0.097 0.000 2.187 207 L HA -0.237 4.103 4.340 0.000 0.000 0.213 207 L C 2.202 179.101 176.870 0.048 0.000 1.100 207 L CA 1.333 56.219 54.840 0.078 0.000 0.765 207 L CB -0.479 41.625 42.059 0.076 0.000 0.904 207 L HN 0.555 nan 8.230 nan 0.000 0.437 208 c N -1.333 117.246 118.600 -0.036 0.000 2.419 208 c HA -0.189 4.381 4.570 0.000 0.000 0.283 208 c C 2.165 176.131 174.090 -0.207 0.000 1.373 208 c CA 0.216 56.440 56.329 -0.175 0.000 1.781 208 c CB -1.571 40.737 42.510 -0.337 0.000 1.886 208 c HN 0.683 nan 8.230 nan 0.000 0.520 209 W N 0.370 121.661 121.300 -0.015 0.000 2.519 209 W HA 0.079 4.739 4.660 0.000 0.000 0.266 209 W C 2.251 178.726 176.519 -0.073 0.000 1.253 209 W CA 0.363 57.716 57.345 0.013 0.000 1.274 209 W CB -0.360 29.167 29.460 0.111 0.000 1.114 209 W HN 0.265 nan 8.180 nan 0.000 0.596 210 L N -0.865 120.396 121.223 0.064 0.000 2.262 210 L HA 0.162 4.502 4.340 0.000 0.000 0.197 210 L C 0.616 177.485 176.870 -0.001 0.000 1.073 210 L CA 0.370 55.157 54.840 -0.087 0.000 0.800 210 L CB -0.617 41.427 42.059 -0.026 0.000 0.987 210 L HN -0.272 nan 8.230 nan 0.000 0.470 211 V N -4.555 115.370 119.914 0.018 0.000 3.049 211 V HA 0.550 4.670 4.120 0.000 0.000 0.309 211 V C -2.850 173.243 176.094 -0.000 0.000 1.148 211 V CA -2.357 59.955 62.300 0.020 0.000 0.990 211 V CB 1.227 33.064 31.823 0.024 0.000 1.039 211 V HN -0.110 nan 8.190 nan 0.000 0.430 212 P HA 0.297 nan 4.420 nan 0.000 0.271 212 P C 0.964 178.275 177.300 0.019 0.000 1.220 212 P CA -0.258 62.831 63.100 -0.018 0.000 0.768 212 P CB 0.574 32.262 31.700 -0.020 0.000 0.848 213 M N 2.264 121.890 119.600 0.044 0.000 2.080 213 M HA -0.161 4.319 4.480 0.000 0.000 0.260 213 M C 1.485 177.891 176.300 0.177 0.000 1.068 213 M CA 2.033 57.428 55.300 0.159 0.000 1.109 213 M CB -1.108 31.585 32.600 0.155 0.000 1.342 213 M HN 0.490 nan 8.290 nan 0.000 0.405 214 D N 0.130 120.587 120.400 0.094 0.000 2.264 214 D HA -0.085 4.555 4.640 0.000 0.000 0.208 214 D C 1.629 177.947 176.300 0.031 0.000 0.966 214 D CA 1.364 55.410 54.000 0.077 0.000 0.864 214 D CB -0.457 40.365 40.800 0.037 0.000 0.933 214 D HN 0.280 nan 8.370 nan 0.000 0.499 215 A N 0.466 123.289 122.820 0.004 0.000 2.019 215 A HA -0.017 4.304 4.320 0.000 0.000 0.219 215 A C 2.383 179.924 177.584 -0.072 0.000 1.164 215 A CA 0.937 52.958 52.037 -0.027 0.000 0.644 215 A CB -0.492 18.494 19.000 -0.024 0.000 0.805 215 A HN 0.331 nan 8.150 nan 0.000 0.449 216 I N -3.283 117.215 120.570 -0.120 0.000 2.729 216 I HA -0.020 4.150 4.170 0.000 0.000 0.256 216 I C 0.745 176.618 176.117 -0.407 0.000 1.115 216 I CA 0.569 61.672 61.300 -0.329 0.000 1.446 216 I CB 0.125 37.808 38.000 -0.528 0.000 1.176 216 I HN 0.289 nan 8.210 nan 0.000 0.446 217 Y N 3.222 123.526 120.300 0.007 0.000 2.811 217 Y HA 0.218 4.768 4.550 0.000 0.000 0.330 217 Y C 0.639 176.535 175.900 -0.005 0.000 1.081 217 Y CA -1.379 56.721 58.100 -0.001 0.000 1.408 217 Y CB -1.274 37.195 38.460 0.015 0.000 1.235 217 Y HN 0.256 nan 8.280 nan 0.000 0.529 236 Y N 2.835 123.160 120.300 0.042 0.000 2.397 236 Y HA 0.319 4.869 4.550 0.000 0.000 0.335 236 Y C 1.064 177.002 175.900 0.063 0.000 1.213 236 Y CA 0.213 58.360 58.100 0.077 0.000 1.391 236 Y CB 0.744 39.281 38.460 0.130 0.000 1.293 236 Y HN 0.627 nan 8.280 nan 0.000 0.557 237 E N 0.623 120.999 120.200 0.294 0.000 2.210 237 E HA 0.331 4.682 4.350 0.000 0.000 0.266 237 E C -1.253 175.434 176.600 0.145 0.000 0.883 237 E CA -1.046 55.466 56.400 0.187 0.000 0.761 237 E CB 1.362 31.162 29.700 0.166 0.000 1.156 237 E HN 0.354 nan 8.360 nan 0.000 0.412 238 T N 2.354 116.942 114.554 0.057 0.000 2.902 238 T HA 0.027 4.377 4.350 0.000 0.000 0.301 238 T C 0.817 175.485 174.700 -0.054 0.000 1.012 238 T CA -0.234 61.847 62.100 -0.033 0.000 1.151 238 T CB 1.107 69.943 68.868 -0.053 0.000 0.946 238 T HN 0.409 nan 8.240 nan 0.000 0.542 239 V N 2.034 121.870 119.914 -0.130 0.000 3.085 239 V HA 0.495 4.616 4.120 0.000 0.000 0.245 239 V C 0.794 176.747 176.094 -0.235 0.000 1.114 239 V CA 1.030 63.240 62.300 -0.150 0.000 1.108 239 V CB 0.145 31.877 31.823 -0.152 0.000 0.798 239 V HN 1.050 nan 8.190 nan 0.000 0.471 240 A N -1.890 120.686 122.820 -0.407 0.000 2.608 240 A HA 0.720 5.040 4.320 0.000 0.000 0.292 240 A C 0.027 177.124 177.584 -0.811 0.000 1.066 240 A CA 0.158 51.847 52.037 -0.580 0.000 0.676 240 A CB 0.882 19.454 19.000 -0.712 0.000 1.277 240 A HN 1.365 nan 8.150 nan 0.000 0.413 241 G N -0.353 108.115 108.800 -0.553 0.000 2.615 241 G HA2 0.298 4.259 3.960 0.000 0.000 0.218 241 G HA3 0.298 4.259 3.960 0.000 0.000 0.218 241 G C -0.245 174.618 174.900 -0.063 0.000 1.339 241 G CA 0.005 44.952 45.100 -0.256 0.000 0.884 241 G HN 1.879 nan 8.290 nan 0.000 0.559 242 T N 3.388 117.986 114.554 0.073 0.000 3.064 242 T HA 0.611 4.961 4.350 0.000 0.000 0.367 242 T C -2.559 172.297 174.700 0.260 0.000 1.202 242 T CA -0.514 61.685 62.100 0.165 0.000 1.133 242 T CB 2.103 71.099 68.868 0.214 0.000 1.074 242 T HN 0.632 nan 8.240 nan 0.000 0.519 243 P HA 0.362 nan 4.420 nan 0.000 0.275 243 P C -0.640 176.656 177.300 -0.006 0.000 1.227 243 P CA -0.553 62.575 63.100 0.046 0.000 0.781 243 P CB 1.167 32.846 31.700 -0.035 0.000 0.906 244 K N 2.260 122.593 120.400 -0.112 0.000 2.443 244 K HA 0.335 4.655 4.320 0.000 0.000 0.252 244 K C -0.858 175.624 176.600 -0.196 0.000 0.933 244 K CA -0.932 55.142 56.287 -0.355 0.000 0.792 244 K CB 1.900 33.788 32.500 -1.020 0.000 1.185 244 K HN 0.115 nan 8.250 nan 0.000 0.425 245 V N 5.419 125.247 119.914 -0.144 0.000 2.617 245 V HA 0.005 4.125 4.120 0.000 0.000 0.304 245 V C 0.414 176.482 176.094 -0.043 0.000 1.040 245 V CA 0.394 62.667 62.300 -0.046 0.000 1.149 245 V CB 0.280 32.083 31.823 -0.033 0.000 0.914 245 V HN 0.621 nan 8.190 nan 0.000 0.487 246 I N 5.281 125.872 120.570 0.034 0.000 2.331 246 I HA 0.354 4.524 4.170 0.000 0.000 0.292 246 I C 0.708 176.847 176.117 0.038 0.000 0.998 246 I CA -0.063 61.264 61.300 0.045 0.000 1.267 246 I CB 1.598 39.663 38.000 0.109 0.000 1.386 246 I HN 0.784 nan 8.210 nan 0.000 0.476 247 T N 2.999 117.562 114.554 0.016 0.000 2.937 247 T HA 0.646 4.997 4.350 0.000 0.000 0.283 247 T C -0.260 174.445 174.700 0.009 0.000 1.012 247 T CA -0.810 61.295 62.100 0.008 0.000 0.997 247 T CB 1.827 70.691 68.868 -0.007 0.000 1.136 247 T HN 0.169 nan 8.240 nan 0.000 0.551 248 V N 1.485 121.397 119.914 -0.003 0.000 2.398 248 V HA 0.393 4.513 4.120 0.000 0.000 0.286 248 V C 0.535 176.617 176.094 -0.020 0.000 1.026 248 V CA -1.045 61.246 62.300 -0.014 0.000 0.868 248 V CB 1.309 33.114 31.823 -0.030 0.000 0.982 248 V HN 0.919 nan 8.190 nan 0.000 0.443 249 K N 4.082 124.471 120.400 -0.019 0.000 2.484 249 K HA 0.053 4.373 4.320 0.000 0.000 0.280 249 K C 0.335 176.917 176.600 -0.030 0.000 1.013 249 K CA -0.052 56.223 56.287 -0.020 0.000 1.029 249 K CB 0.477 32.967 32.500 -0.016 0.000 0.902 249 K HN 0.799 nan 8.250 nan 0.000 0.481 250 Q N 2.611 122.396 119.800 -0.025 0.000 2.330 250 Q HA 0.032 4.372 4.340 0.000 0.000 0.279 250 Q C 0.365 176.347 176.000 -0.030 0.000 1.024 250 Q CA 1.151 56.937 55.803 -0.028 0.000 0.900 250 Q CB 0.390 29.116 28.738 -0.021 0.000 1.221 250 Q HN 0.961 nan 8.270 nan 0.000 0.396 251 G N 4.365 113.142 108.800 -0.038 0.000 2.198 251 G HA2 -0.293 3.668 3.960 0.000 0.000 0.260 251 G HA3 -0.293 3.668 3.960 0.000 0.000 0.260 251 G C 0.090 174.963 174.900 -0.045 0.000 1.025 251 G CA 0.371 45.448 45.100 -0.037 0.000 0.769 251 G HN 0.746 nan 8.290 nan 0.000 0.507 252 I N 0.409 120.942 120.570 -0.062 0.000 2.710 252 I HA 0.207 4.377 4.170 0.000 0.000 0.286 252 I C 1.017 177.080 176.117 -0.089 0.000 1.181 252 I CA -0.314 60.942 61.300 -0.074 0.000 1.430 252 I CB 0.508 38.452 38.000 -0.093 0.000 1.367 252 I HN 0.336 nan 8.210 nan 0.000 0.577 253 E N 6.935 127.092 120.200 -0.071 0.000 2.415 253 E HA -0.051 4.299 4.350 0.000 0.000 0.260 253 E C -0.520 176.026 176.600 -0.090 0.000 1.016 253 E CA -0.093 56.269 56.400 -0.063 0.000 0.924 253 E CB 0.516 30.191 29.700 -0.042 0.000 0.961 253 E HN 0.568 nan 8.360 nan 0.000 0.459 254 Q N 4.438 124.190 119.800 -0.080 0.000 3.026 254 Q HA 0.063 4.403 4.340 0.000 0.000 0.258 254 Q C -0.465 175.571 176.000 0.060 0.000 1.388 254 Q CA 0.191 55.948 55.803 -0.076 0.000 1.000 254 Q CB 0.324 29.063 28.738 0.001 0.000 1.634 254 Q HN 0.255 nan 8.270 nan 0.000 0.571 255 K N 1.396 121.813 120.400 0.029 0.000 2.138 255 K HA 0.290 4.611 4.320 0.000 0.000 0.251 255 K C -2.293 174.382 176.600 0.125 0.000 1.015 255 K CA -1.813 54.506 56.287 0.052 0.000 0.917 255 K CB 0.002 32.507 32.500 0.007 0.000 1.021 255 K HN 0.132 nan 8.250 nan 0.000 0.485 256 P HA -0.021 nan 4.420 nan 0.000 0.269 256 P C -0.796 176.553 177.300 0.082 0.000 1.209 256 P CA -0.236 62.881 63.100 0.029 0.000 0.776 256 P CB 0.424 32.117 31.700 -0.012 0.000 0.876 257 V N 3.006 122.997 119.914 0.128 0.000 2.439 257 V HA 0.091 4.211 4.120 0.000 0.000 0.271 257 V C 0.690 176.824 176.094 0.067 0.000 1.040 257 V CA 0.335 62.725 62.300 0.150 0.000 1.002 257 V CB -0.151 31.837 31.823 0.275 0.000 1.000 257 V HN 0.541 nan 8.190 nan 0.000 0.477 258 E N 4.781 124.974 120.200 -0.011 0.000 2.165 258 E HA 0.432 4.782 4.350 0.000 0.000 0.266 258 E C -0.796 175.701 176.600 -0.172 0.000 0.889 258 E CA -0.571 55.780 56.400 -0.081 0.000 0.756 258 E CB 1.405 31.045 29.700 -0.099 0.000 1.131 258 E HN 0.744 nan 8.360 nan 0.000 0.411 259 Q N 4.128 123.821 119.800 -0.179 0.000 2.310 259 Q HA 0.312 4.652 4.340 0.000 0.000 0.270 259 Q C -1.193 174.645 176.000 -0.269 0.000 1.025 259 Q CA -1.036 54.613 55.803 -0.257 0.000 0.772 259 Q CB 1.341 29.967 28.738 -0.188 0.000 1.253 259 Q HN 0.363 nan 8.270 nan 0.000 0.450 260 R N 4.824 125.092 120.500 -0.387 0.000 2.196 260 R HA 0.382 4.722 4.340 0.000 0.000 0.340 260 R C -1.332 174.883 176.300 -0.142 0.000 1.043 260 R CA 0.042 55.987 56.100 -0.258 0.000 0.883 260 R CB 0.165 30.251 30.300 -0.356 0.000 1.078 260 R HN 0.581 nan 8.270 nan 0.000 0.462 261 I N 4.989 125.500 120.570 -0.098 0.000 2.330 261 I HA 0.172 4.343 4.170 0.000 0.000 0.286 261 I C 0.362 176.528 176.117 0.082 0.000 1.025 261 I CA -0.772 60.467 61.300 -0.101 0.000 1.197 261 I CB 1.000 38.844 38.000 -0.261 0.000 1.358 261 I HN 0.601 nan 8.210 nan 0.000 0.467 262 H N 6.940 126.032 119.070 0.036 0.000 3.004 262 H HA 0.035 4.591 4.556 0.000 0.000 0.316 262 H C -1.425 174.008 175.328 0.174 0.000 1.014 262 H CA 0.139 56.250 56.048 0.106 0.000 1.454 262 H CB 0.606 30.414 29.762 0.078 0.000 1.472 262 H HN 0.487 nan 8.280 nan 0.000 0.571 263 F N 5.492 125.326 119.950 -0.194 0.000 2.366 263 F HA 0.086 4.613 4.527 0.000 0.000 0.357 263 F C 1.302 176.936 175.800 -0.276 0.000 1.107 263 F CA -0.428 57.449 58.000 -0.205 0.000 1.208 263 F CB 0.632 39.601 39.000 -0.052 0.000 1.464 263 F HN 0.634 nan 8.300 nan 0.000 0.501 264 S N 1.739 117.050 115.700 -0.648 0.000 2.474 264 S HA -0.126 4.344 4.470 0.000 0.000 0.235 264 S C 2.065 176.539 174.600 -0.211 0.000 0.997 264 S CA 0.568 58.552 58.200 -0.361 0.000 0.949 264 S CB -0.200 62.815 63.200 -0.308 0.000 0.766 264 S HN 0.486 nan 8.310 nan 0.000 0.517 265 K N 1.226 121.402 120.400 -0.375 0.000 2.113 265 K HA -0.067 4.253 4.320 0.000 0.000 0.208 265 K C 1.720 178.322 176.600 0.003 0.000 1.047 265 K CA 1.040 57.188 56.287 -0.231 0.000 0.928 265 K CB -1.150 31.097 32.500 -0.422 0.000 0.716 265 K HN 0.728 nan 8.250 nan 0.000 0.446 266 G N 2.247 111.125 108.800 0.131 0.000 2.143 266 G HA2 -0.228 3.732 3.960 0.000 0.000 0.249 266 G HA3 -0.228 3.732 3.960 0.000 0.000 0.249 266 G C -0.069 174.937 174.900 0.177 0.000 0.981 266 G CA 0.517 45.713 45.100 0.159 0.000 0.665 266 G HN 0.448 nan 8.290 nan 0.000 0.528 267 N N -0.454 118.411 118.700 0.276 0.000 2.598 267 N HA 0.598 5.339 4.740 0.000 0.000 0.309 267 N C 1.264 176.856 175.510 0.137 0.000 1.645 267 N CA 0.511 53.677 53.050 0.192 0.000 0.936 267 N CB 0.503 39.105 38.487 0.190 0.000 1.323 267 N HN 0.535 nan 8.380 nan 0.000 0.497 268 A N 0.695 123.536 122.820 0.036 0.000 1.972 268 A HA -0.118 4.202 4.320 0.000 0.000 0.219 268 A C 2.085 179.552 177.584 -0.195 0.000 1.169 268 A CA 1.162 53.038 52.037 -0.268 0.000 0.635 268 A CB -0.280 18.573 19.000 -0.245 0.000 0.810 268 A HN 0.509 nan 8.150 nan 0.000 0.446 269 M N -0.711 118.844 119.600 -0.076 0.000 2.193 269 M HA -0.080 4.400 4.480 0.000 0.000 0.265 269 M C 2.088 178.393 176.300 0.007 0.000 1.071 269 M CA 1.895 57.174 55.300 -0.035 0.000 1.140 269 M CB -0.099 32.504 32.600 0.004 0.000 1.369 269 M HN 0.313 nan 8.290 nan 0.000 0.423 270 S N 1.096 116.822 115.700 0.044 0.000 2.359 270 S HA -0.136 4.334 4.470 0.000 0.000 0.224 270 S C 2.032 176.664 174.600 0.052 0.000 1.035 270 S CA 1.564 59.807 58.200 0.072 0.000 1.018 270 S CB -0.597 62.665 63.200 0.104 0.000 0.876 270 S HN 0.703 nan 8.310 nan 0.000 0.448 271 A N 0.766 123.601 122.820 0.025 0.000 1.930 271 A HA 0.024 4.344 4.320 0.000 0.000 0.217 271 A C 2.082 179.649 177.584 -0.028 0.000 1.175 271 A CA 1.096 53.143 52.037 0.018 0.000 0.627 271 A CB -0.547 18.446 19.000 -0.011 0.000 0.815 271 A HN 0.397 nan 8.150 nan 0.000 0.443 272 L N -0.487 120.681 121.223 -0.092 0.000 2.109 272 L HA 0.064 4.404 4.340 0.000 0.000 0.207 272 L C 2.693 179.586 176.870 0.040 0.000 1.086 272 L CA 1.764 56.583 54.840 -0.035 0.000 0.760 272 L CB -0.795 41.211 42.059 -0.089 0.000 0.910 272 L HN 0.345 nan 8.230 nan 0.000 0.437 273 A N -0.621 122.209 122.820 0.016 0.000 1.877 273 A HA -0.110 4.211 4.320 0.000 0.000 0.216 273 A C 2.440 180.036 177.584 0.021 0.000 1.186 273 A CA 1.715 53.762 52.037 0.016 0.000 0.620 273 A CB -1.066 17.948 19.000 0.023 0.000 0.822 273 A HN 0.483 nan 8.150 nan 0.000 0.443 274 A N -0.836 122.005 122.820 0.035 0.000 1.933 274 A HA -0.164 4.156 4.320 0.000 0.000 0.218 274 A C 1.990 179.590 177.584 0.027 0.000 1.175 274 A CA 2.140 54.190 52.037 0.021 0.000 0.628 274 A CB -0.880 18.130 19.000 0.017 0.000 0.814 274 A HN 0.808 nan 8.150 nan 0.000 0.444 275 H N -0.177 118.871 119.070 -0.036 0.000 2.319 275 H HA -0.088 4.469 4.556 0.000 0.000 0.299 275 H C 2.215 177.526 175.328 -0.028 0.000 1.092 275 H CA 2.245 58.274 56.048 -0.032 0.000 1.302 275 H CB -0.152 29.594 29.762 -0.028 0.000 1.373 275 H HN 0.437 nan 8.280 nan 0.000 0.497 276 R N -0.476 119.932 120.500 -0.155 0.000 2.066 276 R HA -0.070 4.271 4.340 0.000 0.000 0.232 276 R C 2.526 178.744 176.300 -0.137 0.000 1.131 276 R CA 1.532 57.516 56.100 -0.194 0.000 0.955 276 R CB -0.285 29.964 30.300 -0.085 0.000 0.851 276 R HN 0.224 nan 8.270 nan 0.000 0.432 277 V N -0.162 119.705 119.914 -0.079 0.000 2.379 277 V HA -0.220 3.900 4.120 0.000 0.000 0.245 277 V C 2.065 178.124 176.094 -0.059 0.000 1.044 277 V CA 1.452 63.719 62.300 -0.056 0.000 1.036 277 V CB -0.105 31.699 31.823 -0.032 0.000 0.664 277 V HN 0.467 nan 8.190 nan 0.000 0.453 278 c N -0.053 118.509 118.600 -0.063 0.000 2.780 278 c HA 0.533 5.103 4.570 0.000 0.000 0.267 278 c C 1.993 176.039 174.090 -0.073 0.000 1.266 278 c CA 0.048 56.342 56.329 -0.058 0.000 1.709 278 c CB -0.389 42.087 42.510 -0.057 0.000 1.975 278 c HN 0.820 nan 8.230 nan 0.000 0.582 279 G N 0.983 109.714 108.800 -0.115 0.000 2.148 279 G HA2 -0.226 3.734 3.960 0.000 0.000 0.254 279 G HA3 -0.226 3.734 3.960 0.000 0.000 0.254 279 G C 0.093 174.961 174.900 -0.053 0.000 0.981 279 G CA 0.374 45.397 45.100 -0.129 0.000 0.670 279 G HN 0.407 nan 8.290 nan 0.000 0.528 280 V N 1.974 121.880 119.914 -0.013 0.000 2.572 280 V HA 0.338 4.459 4.120 0.000 0.000 0.291 280 V C -1.228 174.979 176.094 0.188 0.000 1.039 280 V CA -1.079 61.238 62.300 0.028 0.000 1.055 280 V CB 1.133 32.926 31.823 -0.050 0.000 0.969 280 V HN 0.146 nan 8.190 nan 0.000 0.482 281 P HA 0.130 nan 4.420 nan 0.000 0.268 281 P C 0.957 178.316 177.300 0.099 0.000 1.205 281 P CA -0.044 63.160 63.100 0.174 0.000 0.771 281 P CB 0.554 32.327 31.700 0.122 0.000 0.858 282 L N 1.368 122.587 121.223 -0.007 0.000 2.127 282 L HA -0.197 4.143 4.340 0.000 0.000 0.211 282 L C 2.298 179.232 176.870 0.107 0.000 1.089 282 L CA 1.525 56.375 54.840 0.017 0.000 0.757 282 L CB -0.566 41.462 42.059 -0.053 0.000 0.899 282 L HN 0.521 nan 8.230 nan 0.000 0.434 283 E N -0.010 120.146 120.200 -0.073 0.000 2.150 283 E HA -0.178 4.172 4.350 0.000 0.000 0.193 283 E C 1.955 178.493 176.600 -0.104 0.000 0.985 283 E CA 1.639 57.847 56.400 -0.320 0.000 0.814 283 E CB 0.054 29.567 29.700 -0.312 0.000 0.752 283 E HN 0.415 nan 8.360 nan 0.000 0.466 284 T N 1.299 115.841 114.554 -0.020 0.000 2.867 284 T HA -0.054 4.296 4.350 0.000 0.000 0.268 284 T C 1.905 176.586 174.700 -0.032 0.000 1.057 284 T CA 0.812 62.885 62.100 -0.045 0.000 1.136 284 T CB -0.020 68.749 68.868 -0.165 0.000 0.874 284 T HN 0.165 nan 8.240 nan 0.000 0.466 285 L N 0.225 121.473 121.223 0.040 0.000 2.375 285 L HA 0.299 4.639 4.340 0.000 0.000 0.215 285 L C 1.656 178.600 176.870 0.123 0.000 1.108 285 L CA -0.331 54.585 54.840 0.127 0.000 0.830 285 L CB -0.545 41.642 42.059 0.213 0.000 0.959 285 L HN 0.156 nan 8.230 nan 0.000 0.457 286 A N 0.605 123.443 122.820 0.029 0.000 2.346 286 A HA 0.140 4.460 4.320 0.000 0.000 0.255 286 A C 0.589 178.022 177.584 -0.252 0.000 1.113 286 A CA -0.267 51.597 52.037 -0.289 0.000 0.798 286 A CB 0.023 18.949 19.000 -0.123 0.000 1.073 286 A HN 0.273 nan 8.150 nan 0.000 0.502 287 R N -0.088 120.211 120.500 -0.335 0.000 2.583 287 R HA 0.147 4.487 4.340 0.000 0.000 0.274 287 R C 0.018 176.230 176.300 -0.146 0.000 0.998 287 R CA 0.971 56.946 56.100 -0.209 0.000 1.081 287 R CB 0.050 30.223 30.300 -0.212 0.000 0.940 287 R HN 0.899 nan 8.270 nan 0.000 0.413 288 S N 2.929 118.567 115.700 -0.104 0.000 2.638 288 S HA 0.376 4.846 4.470 0.000 0.000 0.302 288 S C 0.681 175.229 174.600 -0.087 0.000 1.096 288 S CA -1.078 57.065 58.200 -0.095 0.000 0.953 288 S CB 2.115 65.288 63.200 -0.045 0.000 1.107 288 S HN 0.745 nan 8.310 nan 0.000 0.503 289 R N 0.604 121.044 120.500 -0.100 0.000 2.073 289 R HA 0.122 4.462 4.340 0.000 0.000 0.229 289 R C 0.086 176.355 176.300 -0.052 0.000 1.120 289 R CA 1.010 57.061 56.100 -0.081 0.000 0.967 289 R CB -0.206 30.033 30.300 -0.101 0.000 0.862 289 R HN 0.587 nan 8.270 nan 0.000 0.436 290 K N -0.095 120.279 120.400 -0.044 0.000 2.395 290 K HA 0.372 4.693 4.320 0.000 0.000 0.245 290 K C -2.716 173.879 176.600 -0.008 0.000 1.017 290 K CA -2.178 54.095 56.287 -0.023 0.000 0.852 290 K CB 1.095 33.584 32.500 -0.019 0.000 1.311 290 K HN -0.241 nan 8.250 nan 0.000 0.452 291 P HA 0.019 nan 4.420 nan 0.000 0.266 291 P C -0.843 176.486 177.300 0.047 0.000 1.195 291 P CA 0.003 63.112 63.100 0.015 0.000 0.768 291 P CB 0.491 32.196 31.700 0.008 0.000 0.838 292 R N 2.319 122.869 120.500 0.084 0.000 2.490 292 R HA 0.225 4.566 4.340 0.000 0.000 0.278 292 R C 0.012 176.407 176.300 0.158 0.000 1.069 292 R CA -0.420 55.776 56.100 0.162 0.000 1.080 292 R CB 0.499 30.918 30.300 0.198 0.000 1.030 292 R HN 0.505 nan 8.270 nan 0.000 0.491 293 D N 1.821 122.345 120.400 0.206 0.000 2.372 293 D HA 0.054 4.694 4.640 0.000 0.000 0.243 293 D C 0.140 176.557 176.300 0.196 0.000 1.121 293 D CA -0.271 53.833 54.000 0.174 0.000 0.898 293 D CB 1.184 42.075 40.800 0.153 0.000 1.202 293 D HN 0.072 nan 8.370 nan 0.000 0.428 294 L N 1.747 123.056 121.223 0.144 0.000 2.350 294 L HA 0.259 4.599 4.340 0.000 0.000 0.275 294 L C 0.424 177.357 176.870 0.106 0.000 1.099 294 L CA 0.256 55.179 54.840 0.138 0.000 0.808 294 L CB 1.172 43.308 42.059 0.128 0.000 1.149 294 L HN 0.508 nan 8.230 nan 0.000 0.442 295 T N -1.012 113.586 114.554 0.075 0.000 2.901 295 T HA 0.367 4.717 4.350 0.000 0.000 0.293 295 T C 0.520 175.237 174.700 0.028 0.000 1.084 295 T CA -0.763 61.368 62.100 0.052 0.000 1.008 295 T CB 1.193 70.089 68.868 0.048 0.000 1.170 295 T HN 0.522 nan 8.240 nan 0.000 0.509 296 D N 0.852 121.268 120.400 0.026 0.000 2.133 296 D HA -0.133 4.507 4.640 0.000 0.000 0.195 296 D C 1.433 177.730 176.300 -0.006 0.000 0.997 296 D CA 1.513 55.524 54.000 0.018 0.000 0.840 296 D CB -0.155 40.657 40.800 0.019 0.000 0.947 296 D HN 0.616 nan 8.370 nan 0.000 0.452 297 D N 0.020 120.406 120.400 -0.023 0.000 2.144 297 D HA -0.105 4.535 4.640 0.000 0.000 0.199 297 D C 2.162 178.394 176.300 -0.113 0.000 0.984 297 D CA 0.215 54.184 54.000 -0.053 0.000 0.834 297 D CB -0.136 40.636 40.800 -0.047 0.000 0.955 297 D HN 0.129 nan 8.370 nan 0.000 0.465 298 L N 0.733 121.867 121.223 -0.148 0.000 2.093 298 L HA -0.062 4.278 4.340 0.000 0.000 0.208 298 L C 2.394 179.082 176.870 -0.304 0.000 1.085 298 L CA 1.121 55.773 54.840 -0.314 0.000 0.755 298 L CB -1.171 40.734 42.059 -0.257 0.000 0.904 298 L HN -0.053 nan 8.230 nan 0.000 0.435 299 S N -1.052 114.620 115.700 -0.047 0.000 2.359 299 S HA -0.254 4.216 4.470 0.000 0.000 0.224 299 S C 2.171 176.786 174.600 0.025 0.000 1.035 299 S CA 1.545 59.786 58.200 0.068 0.000 1.018 299 S CB -0.542 62.703 63.200 0.075 0.000 0.876 299 S HN 0.621 nan 8.310 nan 0.000 0.448 300 c N 1.834 120.423 118.600 -0.019 0.000 2.413 300 c HA -0.085 4.485 4.570 0.000 0.000 0.276 300 c C 2.911 176.976 174.090 -0.042 0.000 1.236 300 c CA 1.067 57.388 56.329 -0.014 0.000 1.735 300 c CB -1.531 40.967 42.510 -0.020 0.000 2.031 300 c HN 0.586 nan 8.230 nan 0.000 0.474 301 A N -0.981 121.755 122.820 -0.141 0.000 1.902 301 A HA -0.091 4.229 4.320 0.000 0.000 0.217 301 A C 1.982 179.494 177.584 -0.119 0.000 1.181 301 A CA 1.848 53.779 52.037 -0.177 0.000 0.623 301 A CB -1.066 17.752 19.000 -0.303 0.000 0.818 301 A HN 0.710 nan 8.150 nan 0.000 0.443 302 Y N -0.126 120.192 120.300 0.031 0.000 2.165 302 Y HA -0.235 4.315 4.550 0.000 0.000 0.286 302 Y C 2.635 178.557 175.900 0.036 0.000 1.155 302 Y CA 1.332 59.452 58.100 0.033 0.000 1.164 302 Y CB -0.939 37.536 38.460 0.026 0.000 0.978 302 Y HN 0.510 nan 8.280 nan 0.000 0.513 303 Q N -0.151 119.747 119.800 0.164 0.000 2.084 303 Q HA -0.188 4.152 4.340 0.000 0.000 0.202 303 Q C 2.405 178.458 176.000 0.089 0.000 0.978 303 Q CA 1.614 57.483 55.803 0.111 0.000 0.844 303 Q CB -0.241 28.547 28.738 0.083 0.000 0.898 303 Q HN 0.461 nan 8.270 nan 0.000 0.426 304 A N 0.431 123.292 122.820 0.068 0.000 1.898 304 A HA -0.224 4.097 4.320 0.000 0.000 0.216 304 A C 1.922 179.552 177.584 0.077 0.000 1.181 304 A CA 1.513 53.584 52.037 0.057 0.000 0.620 304 A CB -0.480 18.538 19.000 0.030 0.000 0.819 304 A HN 0.507 nan 8.150 nan 0.000 0.442 305 Q N -0.608 119.251 119.800 0.099 0.000 2.079 305 Q HA -0.167 4.174 4.340 0.000 0.000 0.200 305 Q C 2.121 178.190 176.000 0.115 0.000 0.974 305 Q CA 1.354 57.228 55.803 0.119 0.000 0.840 305 Q CB -0.306 28.531 28.738 0.165 0.000 0.898 305 Q HN 0.818 nan 8.270 nan 0.000 0.430 306 N N 0.720 119.489 118.700 0.115 0.000 2.166 306 N HA -0.166 4.574 4.740 0.000 0.000 0.186 306 N C 1.808 177.368 175.510 0.083 0.000 1.019 306 N CA 0.755 53.860 53.050 0.092 0.000 0.856 306 N CB 0.023 38.563 38.487 0.087 0.000 0.993 306 N HN 0.197 nan 8.380 nan 0.000 0.426 307 I N 0.521 121.142 120.570 0.085 0.000 2.226 307 I HA -0.238 3.932 4.170 0.000 0.000 0.245 307 I C 2.214 178.397 176.117 0.109 0.000 1.100 307 I CA 0.742 62.091 61.300 0.082 0.000 1.374 307 I CB -0.097 37.944 38.000 0.069 0.000 1.057 307 I HN -0.003 nan 8.210 nan 0.000 0.413 308 V N -0.110 119.875 119.914 0.119 0.000 2.307 308 V HA -0.290 3.830 4.120 0.000 0.000 0.245 308 V C 2.605 178.802 176.094 0.173 0.000 1.045 308 V CA 2.184 64.585 62.300 0.168 0.000 1.024 308 V CB -0.676 31.240 31.823 0.155 0.000 0.651 308 V HN 0.528 nan 8.190 nan 0.000 0.449 309 S N -0.254 115.517 115.700 0.119 0.000 2.370 309 S HA -0.193 4.278 4.470 0.000 0.000 0.226 309 S C 2.009 176.640 174.600 0.052 0.000 1.033 309 S CA 1.815 60.065 58.200 0.082 0.000 1.011 309 S CB -0.400 62.842 63.200 0.071 0.000 0.852 309 S HN 0.494 nan 8.310 nan 0.000 0.457 310 L N -0.342 120.916 121.223 0.059 0.000 2.046 310 L HA -0.006 4.335 4.340 0.000 0.000 0.208 310 L C 2.395 179.268 176.870 0.005 0.000 1.077 310 L CA 1.755 56.611 54.840 0.026 0.000 0.747 310 L CB -0.553 41.526 42.059 0.034 0.000 0.896 310 L HN 0.434 nan 8.230 nan 0.000 0.432 311 F N -0.143 119.754 119.950 -0.088 0.000 2.163 311 F HA -0.137 4.390 4.527 0.000 0.000 0.297 311 F C 2.210 177.898 175.800 -0.186 0.000 1.094 311 F CA 1.207 59.112 58.000 -0.159 0.000 1.290 311 F CB -0.243 38.640 39.000 -0.195 0.000 1.017 311 F HN -0.273 nan 8.300 nan 0.000 0.483 312 V N 0.743 120.535 119.914 -0.203 0.000 2.469 312 V HA -0.305 3.815 4.120 0.000 0.000 0.251 312 V C 2.694 178.632 176.094 -0.261 0.000 1.064 312 V CA 1.769 63.918 62.300 -0.252 0.000 1.066 312 V CB -1.527 30.299 31.823 0.005 0.000 0.667 312 V HN 0.500 nan 8.190 nan 0.000 0.461 313 A N 0.486 123.195 122.820 -0.185 0.000 2.066 313 A HA -0.143 4.178 4.320 0.000 0.000 0.218 313 A C 2.408 179.875 177.584 -0.195 0.000 1.157 313 A CA 1.761 53.711 52.037 -0.145 0.000 0.670 313 A CB -0.736 18.214 19.000 -0.084 0.000 0.804 313 A HN 0.635 nan 8.150 nan 0.000 0.453 314 T N -4.219 110.157 114.554 -0.295 0.000 3.007 314 T HA -0.091 4.259 4.350 0.000 0.000 0.270 314 T C 1.182 175.698 174.700 -0.307 0.000 1.107 314 T CA 0.872 62.794 62.100 -0.296 0.000 1.118 314 T CB -0.205 68.451 68.868 -0.353 0.000 0.889 314 T HN 0.439 nan 8.240 nan 0.000 0.506 315 R N -0.405 119.874 120.500 -0.367 0.000 3.977 315 R HA -0.114 4.226 4.340 0.000 0.000 0.428 315 R C 0.020 176.126 176.300 -0.322 0.000 1.079 315 R CA 0.634 56.562 56.100 -0.287 0.000 1.269 315 R CB -2.722 27.483 30.300 -0.159 0.000 1.856 315 R HN 0.562 nan 8.270 nan 0.000 0.551 316 I N 2.399 122.678 120.570 -0.486 0.000 2.710 316 I HA -0.058 4.112 4.170 0.000 0.000 0.286 316 I C 1.482 177.402 176.117 -0.328 0.000 1.181 316 I CA 0.189 61.277 61.300 -0.352 0.000 1.430 316 I CB 0.275 38.105 38.000 -0.284 0.000 1.367 316 I HN -0.057 nan 8.210 nan 0.000 0.577 317 L N 5.715 126.924 121.223 -0.023 0.000 2.397 317 L HA 0.113 4.453 4.340 0.000 0.000 0.271 317 L C 0.777 177.692 176.870 0.075 0.000 1.148 317 L CA -0.269 54.587 54.840 0.025 0.000 0.825 317 L CB 0.273 42.407 42.059 0.125 0.000 1.117 317 L HN 0.534 nan 8.230 nan 0.000 0.456 318 F N 0.558 120.499 119.950 -0.015 0.000 2.307 318 F HA -0.207 4.320 4.527 0.000 0.000 0.301 318 F C 2.621 178.366 175.800 -0.092 0.000 1.076 318 F CA 1.501 59.447 58.000 -0.089 0.000 1.383 318 F CB -0.215 38.540 39.000 -0.408 0.000 1.055 318 F HN 0.668 nan 8.300 nan 0.000 0.526 319 S N -2.092 113.626 115.700 0.030 0.000 2.603 319 S HA -0.064 4.406 4.470 0.000 0.000 0.220 319 S C 0.604 175.066 174.600 -0.230 0.000 0.967 319 S CA 0.392 58.523 58.200 -0.114 0.000 0.920 319 S CB -0.838 62.237 63.200 -0.208 0.000 0.773 319 S HN 0.537 nan 8.310 nan 0.000 0.529 320 H N 0.169 119.286 119.070 0.078 0.000 2.528 320 H HA 0.417 4.973 4.556 0.000 0.000 0.256 320 H C 0.687 176.053 175.328 0.064 0.000 1.204 320 H CA -0.523 55.561 56.048 0.061 0.000 0.955 320 H CB 0.448 30.236 29.762 0.043 0.000 1.817 320 H HN 0.103 nan 8.280 nan 0.000 0.579 321 L N 0.737 122.031 121.223 0.119 0.000 2.042 321 L HA -0.166 4.175 4.340 0.000 0.000 0.210 321 L C 1.339 178.250 176.870 0.069 0.000 1.076 321 L CA 1.708 56.564 54.840 0.027 0.000 0.749 321 L CB -0.324 41.714 42.059 -0.035 0.000 0.893 321 L HN 0.418 nan 8.230 nan 0.000 0.432 322 D N -1.269 119.203 120.400 0.120 0.000 2.221 322 D HA -0.142 4.498 4.640 0.000 0.000 0.204 322 D C 2.315 178.702 176.300 0.144 0.000 0.982 322 D CA 1.264 55.363 54.000 0.165 0.000 0.857 322 D CB -0.086 40.800 40.800 0.144 0.000 0.934 322 D HN 0.465 nan 8.370 nan 0.000 0.475 323 S N -0.495 115.261 115.700 0.093 0.000 2.515 323 S HA -0.061 4.409 4.470 0.000 0.000 0.231 323 S C 2.033 176.614 174.600 -0.032 0.000 0.987 323 S CA 0.182 58.406 58.200 0.040 0.000 0.936 323 S CB -0.298 62.914 63.200 0.019 0.000 0.766 323 S HN 0.066 nan 8.310 nan 0.000 0.528 324 V N 0.517 120.366 119.914 -0.107 0.000 2.453 324 V HA -0.146 3.974 4.120 0.000 0.000 0.252 324 V C 1.722 177.504 176.094 -0.521 0.000 1.068 324 V CA 1.929 64.008 62.300 -0.368 0.000 1.070 324 V CB -0.888 30.584 31.823 -0.584 0.000 0.664 324 V HN 0.660 nan 8.190 nan 0.000 0.461 325 F N -0.662 119.296 119.950 0.014 0.000 2.704 325 F HA 0.095 4.622 4.527 0.000 0.000 0.304 325 F C 2.068 177.859 175.800 -0.015 0.000 1.094 325 F CA 0.759 58.757 58.000 -0.003 0.000 1.275 325 F CB 0.071 39.068 39.000 -0.004 0.000 1.073 325 F HN 0.209 nan 8.300 nan 0.000 0.586 326 T N -2.465 112.161 114.554 0.119 0.000 3.010 326 T HA 0.313 4.663 4.350 0.000 0.000 0.257 326 T C 0.474 175.184 174.700 0.016 0.000 1.020 326 T CA 0.004 62.144 62.100 0.065 0.000 0.938 326 T CB -0.272 68.639 68.868 0.072 0.000 1.049 326 T HN -0.038 nan 8.240 nan 0.000 0.522 327 L N 2.982 124.203 121.223 -0.004 0.000 2.416 327 L HA 0.358 4.698 4.340 0.000 0.000 0.272 327 L C 0.390 177.243 176.870 -0.028 0.000 1.161 327 L CA -0.627 54.198 54.840 -0.026 0.000 0.845 327 L CB 0.366 42.398 42.059 -0.045 0.000 1.119 327 L HN 0.168 nan 8.230 nan 0.000 0.464 328 N N 2.619 121.301 118.700 -0.029 0.000 2.420 328 N HA 0.043 4.784 4.740 0.000 0.000 0.262 328 N C 0.615 176.106 175.510 -0.032 0.000 1.144 328 N CA -0.245 52.787 53.050 -0.030 0.000 0.952 328 N CB 0.984 39.456 38.487 -0.025 0.000 1.081 328 N HN 0.431 nan 8.380 nan 0.000 0.480 329 L N 2.760 123.964 121.223 -0.031 0.000 2.191 329 L HA -0.096 4.244 4.340 0.000 0.000 0.212 329 L C 1.239 178.092 176.870 -0.028 0.000 1.103 329 L CA 1.397 56.218 54.840 -0.032 0.000 0.769 329 L CB -0.489 41.553 42.059 -0.029 0.000 0.908 329 L HN 0.582 nan 8.230 nan 0.000 0.438 330 D N -0.921 119.464 120.400 -0.024 0.000 2.312 330 D HA -0.105 4.535 4.640 0.000 0.000 0.211 330 D C 1.522 177.809 176.300 -0.021 0.000 0.964 330 D CA 0.550 54.538 54.000 -0.020 0.000 0.877 330 D CB 0.139 40.929 40.800 -0.016 0.000 0.924 330 D HN 0.244 nan 8.370 nan 0.000 0.515 331 E N -0.295 119.891 120.200 -0.024 0.000 2.451 331 E HA 0.143 4.493 4.350 0.000 0.000 0.194 331 E C -0.192 176.390 176.600 -0.031 0.000 1.027 331 E CA -0.005 56.380 56.400 -0.025 0.000 0.914 331 E CB 0.364 30.049 29.700 -0.024 0.000 1.054 331 E HN 0.024 nan 8.360 nan 0.000 0.461 332 Q N 0.601 120.381 119.800 -0.033 0.000 2.348 332 Q HA 0.243 4.584 4.340 0.000 0.000 0.271 332 Q C -0.770 175.208 176.000 -0.037 0.000 1.067 332 Q CA -0.727 55.051 55.803 -0.040 0.000 0.839 332 Q CB 1.135 29.845 28.738 -0.047 0.000 1.354 332 Q HN 0.022 nan 8.270 nan 0.000 0.447 333 E N 2.995 123.170 120.200 -0.041 0.000 2.413 333 E HA -0.002 4.348 4.350 0.000 0.000 0.263 333 E C -1.719 174.859 176.600 -0.037 0.000 1.015 333 E CA -1.297 55.080 56.400 -0.037 0.000 0.916 333 E CB 0.242 29.917 29.700 -0.041 0.000 0.947 333 E HN 0.466 nan 8.360 nan 0.000 0.440 334 P HA -0.197 nan 4.420 nan 0.000 0.215 334 P C 1.211 178.492 177.300 -0.032 0.000 1.153 334 P CA 1.286 64.369 63.100 -0.028 0.000 0.853 334 P CB 0.396 32.082 31.700 -0.023 0.000 0.788 335 E N -0.161 120.018 120.200 -0.035 0.000 2.051 335 E HA -0.117 4.233 4.350 0.000 0.000 0.192 335 E C 2.041 178.611 176.600 -0.050 0.000 0.991 335 E CA 0.957 57.334 56.400 -0.039 0.000 0.799 335 E CB -1.033 28.643 29.700 -0.040 0.000 0.748 335 E HN -0.058 nan 8.360 nan 0.000 0.449 336 V N 0.570 120.448 119.914 -0.059 0.000 2.307 336 V HA -0.252 3.869 4.120 0.000 0.000 0.245 336 V C 2.294 178.348 176.094 -0.066 0.000 1.045 336 V CA 1.798 64.053 62.300 -0.075 0.000 1.024 336 V CB -0.939 30.834 31.823 -0.084 0.000 0.651 336 V HN 0.413 nan 8.190 nan 0.000 0.449 337 A N -0.087 122.701 122.820 -0.053 0.000 1.978 337 A HA -0.304 4.016 4.320 0.000 0.000 0.220 337 A C 2.260 179.821 177.584 -0.040 0.000 1.170 337 A CA 2.181 54.190 52.037 -0.046 0.000 0.636 337 A CB -0.517 18.461 19.000 -0.036 0.000 0.810 337 A HN 0.707 nan 8.150 nan 0.000 0.448 338 E N -0.324 119.855 120.200 -0.036 0.000 2.047 338 E HA -0.205 4.145 4.350 0.000 0.000 0.191 338 E C 2.156 178.737 176.600 -0.031 0.000 0.987 338 E CA 1.196 57.579 56.400 -0.029 0.000 0.799 338 E CB -0.127 29.558 29.700 -0.025 0.000 0.752 338 E HN 0.576 nan 8.360 nan 0.000 0.449 339 R N 0.020 120.495 120.500 -0.042 0.000 2.115 339 R HA -0.024 4.316 4.340 0.000 0.000 0.230 339 R C 2.472 178.742 176.300 -0.050 0.000 1.111 339 R CA 1.163 57.236 56.100 -0.045 0.000 0.976 339 R CB -0.170 30.092 30.300 -0.063 0.000 0.870 339 R HN 0.268 nan 8.270 nan 0.000 0.445 340 L N 0.151 121.336 121.223 -0.064 0.000 2.109 340 L HA -0.110 4.230 4.340 0.000 0.000 0.207 340 L C 2.325 179.158 176.870 -0.060 0.000 1.086 340 L CA 1.340 56.130 54.840 -0.083 0.000 0.760 340 L CB -0.325 41.680 42.059 -0.090 0.000 0.910 340 L HN 0.295 nan 8.230 nan 0.000 0.437 341 S N -1.945 113.734 115.700 -0.034 0.000 2.496 341 S HA -0.097 4.373 4.470 0.000 0.000 0.224 341 S C 1.426 176.027 174.600 0.001 0.000 0.996 341 S CA 0.545 58.738 58.200 -0.011 0.000 0.927 341 S CB -0.149 63.045 63.200 -0.009 0.000 0.774 341 S HN 0.292 nan 8.310 nan 0.000 0.524 342 D N 2.034 122.431 120.400 -0.005 0.000 2.117 342 D HA 0.075 4.716 4.640 0.000 0.000 0.198 342 D C 1.888 178.200 176.300 0.019 0.000 0.982 342 D CA 0.860 54.864 54.000 0.008 0.000 0.828 342 D CB -0.375 40.427 40.800 0.003 0.000 0.967 342 D HN 0.348 nan 8.370 nan 0.000 0.464 343 L N 0.228 121.453 121.223 0.002 0.000 2.046 343 L HA -0.101 4.239 4.340 0.000 0.000 0.208 343 L C 2.501 179.410 176.870 0.065 0.000 1.077 343 L CA 1.082 55.926 54.840 0.007 0.000 0.747 343 L CB -0.129 41.886 42.059 -0.074 0.000 0.896 343 L HN -0.061 nan 8.230 nan 0.000 0.432 344 R N -0.533 120.001 120.500 0.057 0.000 2.115 344 R HA -0.163 4.177 4.340 0.000 0.000 0.230 344 R C 2.346 178.720 176.300 0.123 0.000 1.111 344 R CA 1.068 57.262 56.100 0.157 0.000 0.976 344 R CB -0.210 30.157 30.300 0.113 0.000 0.870 344 R HN 0.208 nan 8.270 nan 0.000 0.445 345 R N 1.342 121.886 120.500 0.074 0.000 2.066 345 R HA -0.037 4.304 4.340 0.000 0.000 0.232 345 R C 1.887 178.226 176.300 0.064 0.000 1.131 345 R CA 1.373 57.507 56.100 0.057 0.000 0.955 345 R CB -0.445 29.878 30.300 0.038 0.000 0.851 345 R HN 0.123 nan 8.270 nan 0.000 0.432 346 I N 1.149 121.762 120.570 0.072 0.000 2.163 346 I HA -0.312 3.858 4.170 0.000 0.000 0.243 346 I C 2.141 178.314 176.117 0.092 0.000 1.085 346 I CA 1.804 63.150 61.300 0.077 0.000 1.347 346 I CB -0.549 37.498 38.000 0.078 0.000 1.044 346 I HN 0.377 nan 8.210 nan 0.000 0.408 347 N N 0.907 119.689 118.700 0.137 0.000 2.069 347 N HA -0.239 4.501 4.740 0.000 0.000 0.191 347 N C 1.784 177.333 175.510 0.065 0.000 1.031 347 N CA 1.588 54.724 53.050 0.144 0.000 0.852 347 N CB -0.045 38.626 38.487 0.307 0.000 1.018 347 N HN 0.220 nan 8.380 nan 0.000 0.423 348 E N -0.037 120.200 120.200 0.061 0.000 2.130 348 E HA -0.170 4.181 4.350 0.000 0.000 0.196 348 E C 0.901 177.514 176.600 0.022 0.000 0.998 348 E CA 0.994 57.410 56.400 0.026 0.000 0.806 348 E CB -0.341 29.376 29.700 0.029 0.000 0.738 348 E HN 0.597 nan 8.360 nan 0.000 0.459 349 N N 0.587 119.308 118.700 0.036 0.000 2.299 349 N HA 0.016 4.756 4.740 0.000 0.000 0.187 349 N C -0.111 175.424 175.510 0.043 0.000 1.099 349 N CA 0.119 53.188 53.050 0.033 0.000 0.867 349 N CB 0.467 38.974 38.487 0.034 0.000 0.974 349 N HN 0.093 nan 8.380 nan 0.000 0.477 350 N N 1.748 120.480 118.700 0.054 0.000 2.727 350 N HA 0.205 4.945 4.740 0.000 0.000 0.252 350 N C -2.893 172.666 175.510 0.082 0.000 1.283 350 N CA -0.789 52.305 53.050 0.074 0.000 0.782 350 N CB 2.239 40.771 38.487 0.074 0.000 1.199 350 N HN 0.038 nan 8.380 nan 0.000 0.520 351 P HA 0.068 nan 4.420 nan 0.000 0.267 351 P C 1.027 178.394 177.300 0.111 0.000 1.205 351 P CA 0.854 64.012 63.100 0.096 0.000 0.765 351 P CB 0.838 32.612 31.700 0.123 0.000 0.828 352 G N 3.007 111.815 108.800 0.012 0.000 2.234 352 G HA2 -0.387 3.573 3.960 0.000 0.000 0.260 352 G HA3 -0.387 3.573 3.960 0.000 0.000 0.260 352 G C 0.758 175.624 174.900 -0.055 0.000 0.987 352 G CA 0.602 45.671 45.100 -0.052 0.000 0.625 352 G HN 0.515 nan 8.290 nan 0.000 0.532 353 M N 0.709 120.304 119.600 -0.008 0.000 2.123 353 M HA 0.254 4.734 4.480 0.000 0.000 0.263 353 M C 2.525 178.848 176.300 0.037 0.000 1.069 353 M CA 2.492 57.797 55.300 0.008 0.000 1.133 353 M CB -0.469 32.155 32.600 0.040 0.000 1.356 353 M HN 0.232 nan 8.290 nan 0.000 0.415 354 V N -0.154 119.812 119.914 0.088 0.000 2.295 354 V HA -0.275 3.845 4.120 0.000 0.000 0.246 354 V C 2.220 178.372 176.094 0.096 0.000 1.049 354 V CA 2.327 64.703 62.300 0.126 0.000 1.024 354 V CB -1.355 30.633 31.823 0.275 0.000 0.648 354 V HN 0.556 nan 8.190 nan 0.000 0.447 355 T N -0.662 113.958 114.554 0.110 0.000 2.746 355 T HA -0.257 4.093 4.350 0.000 0.000 0.267 355 T C 1.927 176.640 174.700 0.021 0.000 1.039 355 T CA 1.862 64.006 62.100 0.074 0.000 1.142 355 T CB -0.216 68.687 68.868 0.058 0.000 0.866 355 T HN 0.456 nan 8.240 nan 0.000 0.444 356 Q N 1.049 120.851 119.800 0.003 0.000 2.046 356 Q HA -0.031 4.309 4.340 0.000 0.000 0.200 356 Q C 2.221 178.215 176.000 -0.009 0.000 0.975 356 Q CA 1.433 57.230 55.803 -0.011 0.000 0.836 356 Q CB -0.791 27.925 28.738 -0.037 0.000 0.896 356 Q HN 0.343 nan 8.270 nan 0.000 0.428 357 V N 0.645 120.558 119.914 -0.002 0.000 2.332 357 V HA -0.246 3.874 4.120 0.000 0.000 0.248 357 V C 2.308 178.405 176.094 0.005 0.000 1.055 357 V CA 1.756 64.059 62.300 0.004 0.000 1.038 357 V CB -0.546 31.289 31.823 0.020 0.000 0.651 357 V HN 0.393 nan 8.190 nan 0.000 0.450 358 L N -0.683 120.529 121.223 -0.017 0.000 2.240 358 L HA -0.097 4.244 4.340 0.000 0.000 0.211 358 L C 2.562 179.432 176.870 0.001 0.000 1.106 358 L CA 1.396 56.210 54.840 -0.043 0.000 0.793 358 L CB -0.812 41.100 42.059 -0.245 0.000 0.927 358 L HN 0.360 nan 8.230 nan 0.000 0.446 359 T N -0.325 114.220 114.554 -0.014 0.000 2.708 359 T HA -0.145 4.205 4.350 0.000 0.000 0.266 359 T C 2.042 176.714 174.700 -0.047 0.000 1.037 359 T CA 1.248 63.338 62.100 -0.016 0.000 1.146 359 T CB -0.167 68.701 68.868 0.000 0.000 0.865 359 T HN 0.043 nan 8.240 nan 0.000 0.435 360 V N 1.872 121.761 119.914 -0.042 0.000 2.295 360 V HA -0.186 3.934 4.120 0.000 0.000 0.246 360 V C 2.933 178.982 176.094 -0.075 0.000 1.049 360 V CA 1.737 64.001 62.300 -0.061 0.000 1.024 360 V CB -1.300 30.498 31.823 -0.043 0.000 0.648 360 V HN 0.533 nan 8.190 nan 0.000 0.447 361 A N -0.051 122.744 122.820 -0.040 0.000 1.917 361 A HA -0.311 4.009 4.320 0.000 0.000 0.219 361 A C 2.406 179.794 177.584 -0.327 0.000 1.182 361 A CA 2.325 54.333 52.037 -0.047 0.000 0.633 361 A CB -0.642 18.451 19.000 0.156 0.000 0.819 361 A HN 0.508 nan 8.150 nan 0.000 0.448 362 R N -0.927 119.329 120.500 -0.408 0.000 2.096 362 R HA -0.222 4.118 4.340 0.000 0.000 0.235 362 R C 2.385 178.493 176.300 -0.319 0.000 1.127 362 R CA 1.872 57.573 56.100 -0.665 0.000 0.968 362 R CB -0.245 29.895 30.300 -0.266 0.000 0.861 362 R HN 0.574 nan 8.270 nan 0.000 0.440 363 Q N 0.848 120.533 119.800 -0.192 0.000 2.061 363 Q HA -0.140 4.201 4.340 0.000 0.000 0.204 363 Q C 1.862 177.798 176.000 -0.106 0.000 0.984 363 Q CA 2.012 57.728 55.803 -0.144 0.000 0.846 363 Q CB -0.233 28.403 28.738 -0.170 0.000 0.902 363 Q HN 0.487 nan 8.270 nan 0.000 0.421 364 I N -0.499 120.010 120.570 -0.101 0.000 2.226 364 I HA -0.270 3.900 4.170 0.000 0.000 0.245 364 I C 2.079 178.197 176.117 0.002 0.000 1.100 364 I CA 1.422 62.697 61.300 -0.042 0.000 1.374 364 I CB -0.443 37.532 38.000 -0.042 0.000 1.057 364 I HN 0.297 nan 8.210 nan 0.000 0.413 365 Y N 2.235 122.395 120.300 -0.234 0.000 2.097 365 Y HA -0.329 4.221 4.550 0.000 0.000 0.282 365 Y C 2.427 178.281 175.900 -0.078 0.000 1.152 365 Y CA 1.944 59.913 58.100 -0.218 0.000 1.136 365 Y CB -0.277 37.812 38.460 -0.618 0.000 0.975 365 Y HN 0.164 nan 8.280 nan 0.000 0.498 366 N N 0.715 119.463 118.700 0.079 0.000 2.104 366 N HA -0.190 4.550 4.740 0.000 0.000 0.190 366 N C 1.366 176.854 175.510 -0.037 0.000 1.024 366 N CA 1.705 54.771 53.050 0.027 0.000 0.853 366 N CB -0.611 37.890 38.487 0.023 0.000 1.008 366 N HN 0.478 nan 8.380 nan 0.000 0.424 367 D N -0.534 119.857 120.400 -0.014 0.000 2.144 367 D HA -0.146 4.494 4.640 0.000 0.000 0.199 367 D C 1.787 178.135 176.300 0.079 0.000 0.984 367 D CA 0.645 54.649 54.000 0.007 0.000 0.834 367 D CB -0.338 40.491 40.800 0.050 0.000 0.955 367 D HN 0.324 nan 8.370 nan 0.000 0.465 368 Y N 1.389 121.685 120.300 -0.007 0.000 2.181 368 Y HA -0.217 4.333 4.550 0.000 0.000 0.288 368 Y C 2.300 178.241 175.900 0.068 0.000 1.146 368 Y CA 0.965 59.105 58.100 0.067 0.000 1.164 368 Y CB -0.252 38.146 38.460 -0.103 0.000 0.982 368 Y HN -0.226 nan 8.280 nan 0.000 0.515 369 V N -0.380 119.523 119.914 -0.019 0.000 2.282 369 V HA -0.419 3.701 4.120 0.000 0.000 0.249 369 V C 2.255 178.262 176.094 -0.145 0.000 1.057 369 V CA 2.538 64.781 62.300 -0.096 0.000 1.032 369 V CB -1.252 30.493 31.823 -0.131 0.000 0.645 369 V HN 0.493 nan 8.190 nan 0.000 0.447 370 T N -0.659 113.748 114.554 -0.245 0.000 2.653 370 T HA -0.284 4.067 4.350 0.000 0.000 0.268 370 T C 1.479 175.874 174.700 -0.508 0.000 1.035 370 T CA 2.415 64.259 62.100 -0.427 0.000 1.154 370 T CB -0.402 68.070 68.868 -0.659 0.000 0.862 370 T HN 0.757 nan 8.240 nan 0.000 0.441 371 H N -1.107 117.824 119.070 -0.232 0.000 2.586 371 H HA 0.244 4.800 4.556 0.000 0.000 0.273 371 H C 0.024 174.861 175.328 -0.818 0.000 0.997 371 H CA 0.134 55.899 56.048 -0.472 0.000 1.177 371 H CB 0.318 29.768 29.762 -0.520 0.000 1.471 371 H HN 0.436 nan 8.280 nan 0.000 0.538 372 H N 0.283 119.214 119.070 -0.231 0.000 2.511 372 H HA 0.186 4.742 4.556 0.000 0.000 0.228 372 H C -2.536 172.726 175.328 -0.110 0.000 1.424 372 H CA -1.932 53.989 56.048 -0.213 0.000 1.321 372 H CB 0.406 29.920 29.762 -0.414 0.000 1.720 372 H HN 0.206 nan 8.280 nan 0.000 0.512 373 P HA 0.167 nan 4.420 nan 0.000 0.272 373 P C 1.135 178.444 177.300 0.015 0.000 1.223 373 P CA 0.786 63.878 63.100 -0.014 0.000 0.784 373 P CB 1.459 33.137 31.700 -0.037 0.000 0.923 374 G N 0.776 109.590 108.800 0.023 0.000 2.232 374 G HA2 -0.183 3.777 3.960 0.000 0.000 0.226 374 G HA3 -0.183 3.777 3.960 0.000 0.000 0.226 374 G C -0.047 174.880 174.900 0.045 0.000 0.996 374 G CA -0.261 44.857 45.100 0.031 0.000 0.626 374 G HN 0.468 nan 8.290 nan 0.000 0.509 375 L N 2.478 123.736 121.223 0.059 0.000 2.371 375 L HA 0.513 4.853 4.340 0.000 0.000 0.272 375 L C 1.615 178.527 176.870 0.070 0.000 1.124 375 L CA -0.139 54.743 54.840 0.071 0.000 0.816 375 L CB 1.020 43.138 42.059 0.098 0.000 1.129 375 L HN 0.404 nan 8.230 nan 0.000 0.448 376 T N -0.832 113.766 114.554 0.072 0.000 2.813 376 T HA 0.137 4.487 4.350 0.000 0.000 0.297 376 T C -1.855 172.918 174.700 0.121 0.000 1.036 376 T CA -1.411 60.740 62.100 0.085 0.000 1.044 376 T CB 0.783 69.692 68.868 0.069 0.000 0.993 376 T HN 0.367 nan 8.240 nan 0.000 0.535 377 P HA -0.171 nan 4.420 nan 0.000 0.216 377 P C 1.757 179.208 177.300 0.251 0.000 1.153 377 P CA 1.236 64.513 63.100 0.295 0.000 0.858 377 P CB -0.014 31.840 31.700 0.257 0.000 0.789 378 E N 0.205 120.486 120.200 0.135 0.000 2.150 378 E HA -0.208 4.142 4.350 0.000 0.000 0.193 378 E C 1.819 178.463 176.600 0.074 0.000 0.985 378 E CA 1.204 57.657 56.400 0.087 0.000 0.814 378 E CB -0.958 28.764 29.700 0.037 0.000 0.752 378 E HN 0.365 nan 8.360 nan 0.000 0.466 379 Q N 0.398 120.241 119.800 0.070 0.000 2.172 379 Q HA -0.031 4.309 4.340 0.000 0.000 0.200 379 Q C 1.973 177.988 176.000 0.024 0.000 0.964 379 Q CA 1.789 57.621 55.803 0.048 0.000 0.855 379 Q CB 0.067 28.841 28.738 0.060 0.000 0.918 379 Q HN 0.321 nan 8.270 nan 0.000 0.444 380 T N -0.090 114.490 114.554 0.044 0.000 2.770 380 T HA -0.083 4.267 4.350 0.000 0.000 0.263 380 T C 2.044 176.656 174.700 -0.147 0.000 1.039 380 T CA 1.284 63.345 62.100 -0.064 0.000 1.142 380 T CB -0.120 68.609 68.868 -0.232 0.000 0.868 380 T HN 0.138 nan 8.240 nan 0.000 0.435 381 S N 1.287 117.066 115.700 0.131 0.000 2.368 381 S HA -0.006 4.464 4.470 0.000 0.000 0.225 381 S C 2.567 177.160 174.600 -0.011 0.000 1.030 381 S CA 0.956 59.264 58.200 0.179 0.000 0.999 381 S CB -0.517 62.860 63.200 0.294 0.000 0.844 381 S HN 0.568 nan 8.310 nan 0.000 0.459 382 A N 1.329 124.135 122.820 -0.024 0.000 1.902 382 A HA 0.045 4.365 4.320 0.000 0.000 0.217 382 A C 2.287 179.789 177.584 -0.136 0.000 1.181 382 A CA 1.790 53.798 52.037 -0.048 0.000 0.623 382 A CB -1.318 17.673 19.000 -0.014 0.000 0.818 382 A HN 0.525 nan 8.150 nan 0.000 0.443 383 G N -0.716 107.930 108.800 -0.258 0.000 2.394 383 G HA2 0.077 4.037 3.960 0.000 0.000 0.215 383 G HA3 0.077 4.037 3.960 0.000 0.000 0.215 383 G C 1.738 176.154 174.900 -0.808 0.000 1.165 383 G CA 1.256 46.102 45.100 -0.423 0.000 0.784 383 G HN 0.772 nan 8.290 nan 0.000 0.535 384 A N 0.144 122.297 122.820 -1.112 0.000 1.933 384 A HA -0.072 4.248 4.320 0.000 0.000 0.218 384 A C 2.382 179.793 177.584 -0.287 0.000 1.175 384 A CA 1.827 53.404 52.037 -0.767 0.000 0.628 384 A CB -0.310 18.388 19.000 -0.503 0.000 0.814 384 A HN 0.329 nan 8.150 nan 0.000 0.444 385 Q N -0.723 118.970 119.800 -0.178 0.000 2.119 385 Q HA -0.047 4.294 4.340 0.000 0.000 0.201 385 Q C 2.284 178.278 176.000 -0.009 0.000 0.972 385 Q CA 1.518 57.291 55.803 -0.049 0.000 0.847 385 Q CB -0.536 28.200 28.738 -0.002 0.000 0.903 385 Q HN 0.663 nan 8.270 nan 0.000 0.433 386 A N 0.771 123.569 122.820 -0.036 0.000 2.119 386 A HA 0.276 4.596 4.320 0.000 0.000 0.216 386 A C 1.202 178.826 177.584 0.067 0.000 1.152 386 A CA 0.604 52.660 52.037 0.031 0.000 0.708 386 A CB -0.245 18.768 19.000 0.022 0.000 0.805 386 A HN 0.269 nan 8.150 nan 0.000 0.460 387 A N 0.549 123.381 122.820 0.020 0.000 2.406 387 A HA 0.403 4.723 4.320 0.000 0.000 0.243 387 A C -0.298 177.358 177.584 0.119 0.000 1.082 387 A CA -0.357 51.736 52.037 0.092 0.000 0.786 387 A CB 0.064 19.132 19.000 0.114 0.000 1.029 387 A HN 0.384 nan 8.150 nan 0.000 0.495 388 D N -0.078 120.413 120.400 0.152 0.000 2.368 388 D HA 0.275 4.915 4.640 0.000 0.000 0.240 388 D C -0.087 176.238 176.300 0.042 0.000 1.169 388 D CA 0.550 54.630 54.000 0.133 0.000 0.906 388 D CB 0.549 41.437 40.800 0.147 0.000 1.187 388 D HN 0.366 nan 8.370 nan 0.000 0.435 389 I N 1.807 122.362 120.570 -0.024 0.000 2.304 389 I HA 0.048 4.218 4.170 0.000 0.000 0.291 389 I C -0.147 175.927 176.117 -0.072 0.000 1.018 389 I CA -0.653 60.594 61.300 -0.088 0.000 1.260 389 I CB 1.058 38.943 38.000 -0.192 0.000 1.390 389 I HN 0.004 nan 8.210 nan 0.000 0.475 390 L N 7.009 128.199 121.223 -0.054 0.000 2.270 390 L HA 0.354 4.694 4.340 0.000 0.000 0.286 390 L C -0.101 176.727 176.870 -0.071 0.000 1.059 390 L CA 0.435 55.231 54.840 -0.073 0.000 0.839 390 L CB 0.879 42.902 42.059 -0.060 0.000 1.221 390 L HN 0.494 nan 8.230 nan 0.000 0.431 391 S N 5.888 121.539 115.700 -0.082 0.000 2.438 391 S HA 0.624 5.094 4.470 0.000 0.000 0.293 391 S C -0.405 174.182 174.600 -0.022 0.000 1.141 391 S CA -0.532 57.639 58.200 -0.049 0.000 1.080 391 S CB 0.560 63.726 63.200 -0.057 0.000 0.978 391 S HN 0.591 nan 8.310 nan 0.000 0.479 392 L N 5.106 126.336 121.223 0.011 0.000 2.313 392 L HA 0.567 4.908 4.340 0.000 0.000 0.283 392 L C -0.844 176.093 176.870 0.113 0.000 1.013 392 L CA -0.760 54.100 54.840 0.033 0.000 0.816 392 L CB 1.367 43.425 42.059 -0.002 0.000 1.236 392 L HN 0.617 nan 8.230 nan 0.000 0.419 393 F N 3.933 123.862 119.950 -0.036 0.000 2.411 393 F HA 0.469 4.996 4.527 0.000 0.000 0.352 393 F C -0.535 175.229 175.800 -0.060 0.000 1.123 393 F CA -1.096 56.877 58.000 -0.045 0.000 1.044 393 F CB 0.941 39.911 39.000 -0.050 0.000 1.135 393 F HN 0.333 nan 8.300 nan 0.000 0.461 394 c N 9.347 127.571 118.600 -0.627 0.000 2.814 394 c HA 0.300 4.871 4.570 0.000 0.000 0.269 394 c C -1.224 172.541 174.090 -0.543 0.000 1.090 394 c CA -0.756 55.282 56.329 -0.486 0.000 1.492 394 c CB 0.533 42.968 42.510 -0.125 0.000 1.825 394 c HN 0.719 nan 8.230 nan 0.000 0.442 395 P HA -0.032 nan 4.420 nan 0.000 0.229 395 P C 0.070 177.204 177.300 -0.277 0.000 1.160 395 P CA 1.199 63.935 63.100 -0.605 0.000 0.777 395 P CB 0.295 31.513 31.700 -0.804 0.000 0.814 396 D N 0.363 120.620 120.400 -0.238 0.000 2.339 396 D HA 0.293 4.933 4.640 0.000 0.000 0.241 396 D C 1.024 177.117 176.300 -0.345 0.000 1.183 396 D CA -0.318 53.565 54.000 -0.195 0.000 0.859 396 D CB 1.162 41.900 40.800 -0.104 0.000 1.067 396 D HN -0.078 nan 8.370 nan 0.000 0.484 397 A N 3.745 126.257 122.820 -0.514 0.000 2.209 397 A HA -0.075 4.245 4.320 0.000 0.000 0.212 397 A C 1.285 178.557 177.584 -0.521 0.000 1.158 397 A CA 0.662 52.108 52.037 -0.985 0.000 0.742 397 A CB 0.181 18.822 19.000 -0.599 0.000 0.790 397 A HN 0.453 nan 8.150 nan 0.000 0.472 398 D N -0.451 119.782 120.400 -0.278 0.000 2.369 398 D HA 0.138 4.778 4.640 0.000 0.000 0.211 398 D C 0.330 176.580 176.300 -0.084 0.000 1.077 398 D CA 0.514 54.429 54.000 -0.142 0.000 0.842 398 D CB 0.357 41.097 40.800 -0.101 0.000 0.947 398 D HN 0.409 nan 8.370 nan 0.000 0.509 399 K N 0.341 120.689 120.400 -0.087 0.000 2.185 399 K HA 0.404 4.724 4.320 0.000 0.000 0.240 399 K C 0.320 176.930 176.600 0.017 0.000 0.983 399 K CA -0.653 55.618 56.287 -0.028 0.000 0.873 399 K CB 1.896 34.383 32.500 -0.023 0.000 1.118 399 K HN -0.095 nan 8.250 nan 0.000 0.441 400 S N -0.689 115.025 115.700 0.024 0.000 2.576 400 S HA 0.022 4.493 4.470 0.000 0.000 0.272 400 S C 0.132 174.759 174.600 0.045 0.000 1.352 400 S CA -0.725 57.498 58.200 0.040 0.000 1.021 400 S CB 0.696 63.907 63.200 0.019 0.000 0.887 400 S HN 0.692 nan 8.310 nan 0.000 0.542 401 c N 3.368 121.996 118.600 0.047 0.000 3.188 401 c HA 0.640 5.210 4.570 0.000 0.000 0.230 401 c C -0.412 173.683 174.090 0.008 0.000 1.239 401 c CA -0.167 56.175 56.329 0.023 0.000 1.494 401 c CB -1.721 40.800 42.510 0.019 0.000 1.798 401 c HN 0.867 nan 8.230 nan 0.000 0.458 402 V N 2.422 122.336 119.914 0.001 0.000 2.680 402 V HA 0.969 5.089 4.120 0.000 0.000 0.309 402 V C 0.242 176.322 176.094 -0.024 0.000 1.052 402 V CA -0.449 61.847 62.300 -0.008 0.000 0.908 402 V CB 1.394 33.217 31.823 -0.001 0.000 1.001 402 V HN 0.861 nan 8.190 nan 0.000 0.431 403 A N 3.007 125.800 122.820 -0.045 0.000 2.316 403 A HA 0.628 4.948 4.320 0.000 0.000 0.284 403 A C 1.347 178.899 177.584 -0.055 0.000 1.115 403 A CA 0.146 52.147 52.037 -0.059 0.000 0.812 403 A CB 0.926 19.874 19.000 -0.087 0.000 1.064 403 A HN 1.778 nan 8.150 nan 0.000 0.489 404 S N 1.588 117.266 115.700 -0.037 0.000 2.368 404 S HA -0.084 4.386 4.470 0.000 0.000 0.224 404 S C 0.698 175.290 174.600 -0.012 0.000 1.029 404 S CA 1.238 59.430 58.200 -0.015 0.000 0.988 404 S CB -0.252 62.953 63.200 0.007 0.000 0.838 404 S HN 0.764 nan 8.310 nan 0.000 0.462 405 N N 0.836 119.530 118.700 -0.010 0.000 2.410 405 N HA 0.348 5.089 4.740 0.000 0.000 0.287 405 N C -1.082 174.398 175.510 -0.048 0.000 1.044 405 N CA -0.489 52.568 53.050 0.012 0.000 0.881 405 N CB 1.444 40.014 38.487 0.139 0.000 1.405 405 N HN 0.092 nan 8.380 nan 0.000 0.490 406 N N 1.469 120.084 118.700 -0.141 0.000 2.205 406 N HA -0.009 4.731 4.740 0.000 0.000 0.201 406 N C -0.749 174.677 175.510 -0.140 0.000 1.128 406 N CA -0.060 52.819 53.050 -0.284 0.000 0.867 406 N CB 0.539 38.580 38.487 -0.744 0.000 0.996 406 N HN 0.634 nan 8.380 nan 0.000 0.503 407 D N 1.426 121.807 120.400 -0.033 0.000 2.425 407 D HA 0.005 4.645 4.640 0.000 0.000 0.247 407 D C -0.031 176.423 176.300 0.256 0.000 1.147 407 D CA 0.402 54.451 54.000 0.082 0.000 0.879 407 D CB 0.432 41.263 40.800 0.052 0.000 1.179 407 D HN -0.005 nan 8.370 nan 0.000 0.456 408 Q N 0.220 120.314 119.800 0.489 0.000 2.439 408 Q HA -0.208 4.132 4.340 0.000 0.000 0.325 408 Q C -1.152 175.009 176.000 0.268 0.000 1.372 408 Q CA 0.777 56.760 55.803 0.301 0.000 0.909 408 Q CB -1.566 27.305 28.738 0.222 0.000 1.167 408 Q HN 0.474 nan 8.270 nan 0.000 0.418 409 A N 0.844 123.832 122.820 0.281 0.000 2.486 409 A HA 0.674 4.995 4.320 0.000 0.000 0.300 409 A C -0.826 176.890 177.584 0.221 0.000 1.048 409 A CA -0.860 51.291 52.037 0.190 0.000 0.696 409 A CB 1.269 20.330 19.000 0.100 0.000 1.278 409 A HN 0.202 nan 8.150 nan 0.000 0.405 410 N N 2.057 120.838 118.700 0.136 0.000 2.437 410 N HA 0.337 5.077 4.740 0.000 0.000 0.259 410 N C -0.432 175.097 175.510 0.032 0.000 0.983 410 N CA -0.370 52.743 53.050 0.105 0.000 0.937 410 N CB 1.176 39.680 38.487 0.028 0.000 1.122 410 N HN 0.515 nan 8.380 nan 0.000 0.499 411 I N 1.899 122.491 120.570 0.036 0.000 2.556 411 I HA 0.057 4.227 4.170 0.000 0.000 0.284 411 I C 0.689 176.799 176.117 -0.012 0.000 1.114 411 I CA -0.006 61.292 61.300 -0.003 0.000 1.418 411 I CB -0.363 37.638 38.000 0.001 0.000 1.394 411 I HN 0.401 nan 8.210 nan 0.000 0.552 412 N N 6.739 125.426 118.700 -0.022 0.000 2.399 412 N HA 0.390 5.130 4.740 0.000 0.000 0.280 412 N C -1.034 174.478 175.510 0.003 0.000 1.008 412 N CA -0.523 52.521 53.050 -0.010 0.000 0.894 412 N CB 1.107 39.581 38.487 -0.022 0.000 1.273 412 N HN 0.260 nan 8.380 nan 0.000 0.486 413 I N 2.553 123.127 120.570 0.006 0.000 2.325 413 I HA 0.158 4.328 4.170 0.000 0.000 0.291 413 I C 0.403 176.550 176.117 0.051 0.000 1.019 413 I CA -0.349 60.958 61.300 0.012 0.000 1.302 413 I CB 0.922 38.905 38.000 -0.027 0.000 1.401 413 I HN 0.593 nan 8.210 nan 0.000 0.485 414 E N 4.609 124.868 120.200 0.099 0.000 2.222 414 E HA 0.074 4.424 4.350 0.000 0.000 0.312 414 E C 0.251 176.949 176.600 0.164 0.000 1.263 414 E CA -0.222 56.268 56.400 0.151 0.000 1.356 414 E CB 0.036 29.853 29.700 0.195 0.000 1.180 414 E HN 0.606 nan 8.360 nan 0.000 0.494 415 S N 1.293 117.047 115.700 0.090 0.000 2.584 415 S HA 0.142 4.613 4.470 0.000 0.000 0.270 415 S C 0.448 175.117 174.600 0.115 0.000 1.346 415 S CA -0.854 57.393 58.200 0.077 0.000 1.018 415 S CB 1.471 64.689 63.200 0.030 0.000 0.899 415 S HN 0.409 nan 8.310 nan 0.000 0.542 416 R N 0.456 121.043 120.500 0.145 0.000 2.543 416 R HA 0.256 4.596 4.340 0.000 0.000 0.277 416 R C -0.049 176.313 176.300 0.104 0.000 1.074 416 R CA 0.010 56.206 56.100 0.159 0.000 1.076 416 R CB 0.573 31.021 30.300 0.246 0.000 0.993 416 R HN 0.711 nan 8.270 nan 0.000 0.459 417 S N 2.083 117.842 115.700 0.097 0.000 2.452 417 S HA 0.219 4.689 4.470 0.000 0.000 0.284 417 S C 1.266 175.937 174.600 0.119 0.000 1.171 417 S CA -0.316 57.922 58.200 0.062 0.000 1.064 417 S CB 1.316 64.530 63.200 0.024 0.000 0.967 417 S HN 0.779 nan 8.310 nan 0.000 0.484 418 G N 4.653 113.491 108.800 0.063 0.000 2.422 418 G HA2 -0.219 3.741 3.960 0.000 0.000 0.218 418 G HA3 -0.219 3.741 3.960 0.000 0.000 0.218 418 G C 1.496 176.448 174.900 0.086 0.000 1.146 418 G CA 0.662 45.797 45.100 0.059 0.000 0.769 418 G HN 0.665 nan 8.290 nan 0.000 0.547 419 R N 1.726 122.239 120.500 0.020 0.000 2.117 419 R HA -0.145 4.196 4.340 0.000 0.000 0.243 419 R C 2.853 179.147 176.300 -0.010 0.000 1.143 419 R CA 2.010 58.100 56.100 -0.017 0.000 0.968 419 R CB -0.879 29.400 30.300 -0.035 0.000 0.863 419 R HN 0.420 nan 8.270 nan 0.000 0.444 420 S N -1.290 114.403 115.700 -0.012 0.000 2.442 420 S HA -0.162 4.308 4.470 0.000 0.000 0.236 420 S C 1.624 176.105 174.600 -0.198 0.000 1.007 420 S CA 0.984 59.115 58.200 -0.114 0.000 0.965 420 S CB -0.495 62.599 63.200 -0.176 0.000 0.773 420 S HN 0.504 nan 8.310 nan 0.000 0.504 421 Y N 1.168 121.427 120.300 -0.069 0.000 2.466 421 Y HA 0.483 5.034 4.550 0.000 0.000 0.272 421 Y C 0.619 176.503 175.900 -0.026 0.000 1.169 421 Y CA -0.319 57.744 58.100 -0.061 0.000 1.285 421 Y CB 0.095 38.490 38.460 -0.108 0.000 1.078 421 Y HN 0.205 nan 8.280 nan 0.000 0.523 422 L N 1.319 122.584 121.223 0.069 0.000 2.325 422 L HA 0.447 4.787 4.340 0.000 0.000 0.278 422 L C -2.322 174.567 176.870 0.032 0.000 1.023 422 L CA -2.371 52.490 54.840 0.035 0.000 0.811 422 L CB 1.044 43.026 42.059 -0.128 0.000 1.249 422 L HN -0.172 nan 8.230 nan 0.000 0.431 423 P HA 0.090 nan 4.420 nan 0.000 0.272 423 P C -0.910 176.413 177.300 0.040 0.000 1.223 423 P CA -0.460 62.682 63.100 0.071 0.000 0.784 423 P CB 0.395 32.168 31.700 0.121 0.000 0.923 424 E N 1.744 121.959 120.200 0.025 0.000 2.417 424 E HA -0.067 4.283 4.350 0.000 0.000 0.261 424 E C 0.556 177.172 176.600 0.026 0.000 1.000 424 E CA 0.163 56.572 56.400 0.015 0.000 0.919 424 E CB -0.369 29.337 29.700 0.011 0.000 0.955 424 E HN 0.550 nan 8.360 nan 0.000 0.455 425 N N 1.487 120.197 118.700 0.017 0.000 2.909 425 N HA -0.179 4.561 4.740 0.000 0.000 0.242 425 N C -0.692 174.843 175.510 0.042 0.000 0.975 425 N CA 0.357 53.422 53.050 0.025 0.000 0.921 425 N CB -0.046 38.459 38.487 0.030 0.000 1.112 425 N HN 0.323 nan 8.380 nan 0.000 0.581 426 R N 0.229 120.758 120.500 0.048 0.000 2.758 426 R HA 0.596 4.936 4.340 0.000 0.000 0.265 426 R C 0.763 177.042 176.300 -0.035 0.000 1.016 426 R CA 0.289 56.449 56.100 0.099 0.000 1.040 426 R CB 0.541 30.972 30.300 0.219 0.000 1.152 426 R HN 0.326 nan 8.270 nan 0.000 0.503 427 A N 0.214 122.992 122.820 -0.070 0.000 2.745 427 A HA -0.149 4.171 4.320 0.000 0.000 0.296 427 A C -0.030 177.410 177.584 -0.240 0.000 1.500 427 A CA 0.677 52.447 52.037 -0.445 0.000 0.766 427 A CB -2.067 16.240 19.000 -1.154 0.000 1.030 427 A HN 0.276 nan 8.150 nan 0.000 0.489 428 V N 1.104 120.967 119.914 -0.085 0.000 2.455 428 V HA 0.270 4.390 4.120 0.000 0.000 0.273 428 V C 0.858 176.935 176.094 -0.028 0.000 1.045 428 V CA 0.237 62.511 62.300 -0.044 0.000 0.976 428 V CB 0.931 32.752 31.823 -0.004 0.000 0.993 428 V HN 0.438 nan 8.190 nan 0.000 0.475 429 I N 5.874 126.431 120.570 -0.022 0.000 2.352 429 I HA 0.380 4.550 4.170 0.000 0.000 0.290 429 I C 0.708 176.848 176.117 0.039 0.000 1.036 429 I CA 0.303 61.615 61.300 0.019 0.000 1.336 429 I CB 1.222 39.246 38.000 0.040 0.000 1.407 429 I HN 0.812 nan 8.210 nan 0.000 0.497 430 T N 2.660 117.223 114.554 0.014 0.000 2.887 430 T HA 0.442 4.792 4.350 0.000 0.000 0.292 430 T C -2.317 172.252 174.700 -0.220 0.000 1.087 430 T CA -1.975 60.101 62.100 -0.041 0.000 1.009 430 T CB 1.998 70.844 68.868 -0.036 0.000 1.203 430 T HN 0.160 nan 8.240 nan 0.000 0.518 431 P HA -0.005 nan 4.420 nan 0.000 0.221 431 P C 0.882 177.953 177.300 -0.381 0.000 1.145 431 P CA 0.870 63.490 63.100 -0.800 0.000 0.795 431 P CB 0.015 31.451 31.700 -0.440 0.000 0.775 432 Q N -0.810 118.880 119.800 -0.183 0.000 2.280 432 Q HA 0.364 4.704 4.340 0.000 0.000 0.202 432 Q C 1.023 177.002 176.000 -0.034 0.000 0.903 432 Q CA 0.396 56.151 55.803 -0.081 0.000 0.948 432 Q CB -0.409 28.305 28.738 -0.042 0.000 1.058 432 Q HN 0.161 nan 8.270 nan 0.000 0.493 433 G N -1.135 107.641 108.800 -0.041 0.000 2.627 433 G HA2 -0.204 3.756 3.960 0.000 0.000 0.214 433 G HA3 -0.204 3.756 3.960 0.000 0.000 0.214 433 G C -0.903 174.021 174.900 0.040 0.000 1.331 433 G CA -0.672 44.445 45.100 0.029 0.000 0.891 433 G HN 0.032 nan 8.290 nan 0.000 0.539 434 V N 1.843 121.800 119.914 0.071 0.000 2.470 434 V HA 0.551 4.671 4.120 0.000 0.000 0.276 434 V C 1.281 177.434 176.094 0.098 0.000 1.040 434 V CA 0.711 63.051 62.300 0.066 0.000 1.008 434 V CB 0.398 32.261 31.823 0.068 0.000 0.990 434 V HN 1.378 nan 8.190 nan 0.000 0.477 435 T N 1.303 115.904 114.554 0.079 0.000 2.938 435 T HA 0.458 4.808 4.350 0.000 0.000 0.285 435 T C 0.256 175.042 174.700 0.145 0.000 1.028 435 T CA -0.757 61.405 62.100 0.103 0.000 1.005 435 T CB 1.029 69.935 68.868 0.064 0.000 1.157 435 T HN 0.549 nan 8.240 nan 0.000 0.550 436 N N 0.214 119.006 118.700 0.154 0.000 2.725 436 N HA -0.140 4.600 4.740 0.000 0.000 0.251 436 N C -1.295 174.420 175.510 0.341 0.000 1.031 436 N CA 0.819 53.978 53.050 0.181 0.000 0.720 436 N CB -1.302 37.260 38.487 0.126 0.000 0.930 436 N HN 0.806 nan 8.380 nan 0.000 0.543 437 W N 0.875 122.197 121.300 0.037 0.000 2.835 437 W HA 0.285 4.945 4.660 0.000 0.000 0.326 437 W C -0.228 176.320 176.519 0.049 0.000 1.024 437 W CA -0.473 56.897 57.345 0.041 0.000 1.267 437 W CB 1.149 30.640 29.460 0.052 0.000 1.267 437 W HN 0.108 nan 8.180 nan 0.000 0.412 438 T N 0.735 115.141 114.554 -0.247 0.000 2.948 438 T HA 0.187 4.537 4.350 0.000 0.000 0.285 438 T C 0.369 174.778 174.700 -0.485 0.000 1.019 438 T CA -0.361 61.584 62.100 -0.257 0.000 1.013 438 T CB 1.855 70.644 68.868 -0.131 0.000 1.117 438 T HN 0.446 nan 8.240 nan 0.000 0.533 439 Y N 0.714 120.813 120.300 -0.336 0.000 2.242 439 Y HA -0.064 4.486 4.550 0.000 0.000 0.291 439 Y C 2.731 178.451 175.900 -0.300 0.000 1.137 439 Y CA 1.820 59.731 58.100 -0.314 0.000 1.181 439 Y CB -0.301 38.049 38.460 -0.184 0.000 0.989 439 Y HN 0.744 nan 8.280 nan 0.000 0.527 440 Q N 0.652 120.263 119.800 -0.316 0.000 2.124 440 Q HA -0.178 4.162 4.340 0.000 0.000 0.202 440 Q C 1.984 177.754 176.000 -0.383 0.000 0.977 440 Q CA 2.143 57.759 55.803 -0.312 0.000 0.850 440 Q CB -0.106 28.562 28.738 -0.117 0.000 0.901 440 Q HN 0.640 nan 8.270 nan 0.000 0.429 441 E N -0.267 119.665 120.200 -0.446 0.000 2.106 441 E HA -0.154 4.196 4.350 0.000 0.000 0.192 441 E C 1.910 178.136 176.600 -0.623 0.000 0.984 441 E CA 0.779 56.903 56.400 -0.461 0.000 0.806 441 E CB -0.161 29.252 29.700 -0.478 0.000 0.750 441 E HN 0.367 nan 8.360 nan 0.000 0.458 442 L N 1.258 121.892 121.223 -0.982 0.000 1.994 442 L HA -0.239 4.101 4.340 0.000 0.000 0.208 442 L C 2.506 179.150 176.870 -0.377 0.000 1.071 442 L CA 1.680 56.155 54.840 -0.608 0.000 0.745 442 L CB -0.256 41.442 42.059 -0.601 0.000 0.892 442 L HN 0.204 nan 8.230 nan 0.000 0.431 443 E N -0.443 119.370 120.200 -0.645 0.000 2.130 443 E HA -0.266 4.084 4.350 0.000 0.000 0.196 443 E C 2.030 178.534 176.600 -0.160 0.000 0.998 443 E CA 1.319 57.448 56.400 -0.452 0.000 0.806 443 E CB -0.000 29.350 29.700 -0.583 0.000 0.738 443 E HN 0.624 nan 8.360 nan 0.000 0.459 444 A N 0.038 122.760 122.820 -0.162 0.000 1.898 444 A HA -0.145 4.176 4.320 0.000 0.000 0.216 444 A C 2.348 179.935 177.584 0.005 0.000 1.181 444 A CA 1.893 53.895 52.037 -0.059 0.000 0.620 444 A CB -0.768 18.198 19.000 -0.056 0.000 0.819 444 A HN 0.293 nan 8.150 nan 0.000 0.442 445 T N -1.300 113.275 114.554 0.036 0.000 2.777 445 T HA -0.142 4.208 4.350 0.000 0.000 0.266 445 T C 1.844 176.539 174.700 -0.008 0.000 1.040 445 T CA 1.759 63.911 62.100 0.087 0.000 1.141 445 T CB -0.468 68.536 68.868 0.225 0.000 0.868 445 T HN 0.775 nan 8.240 nan 0.000 0.444 446 H N 1.057 120.078 119.070 -0.082 0.000 2.353 446 H HA -0.139 4.417 4.556 0.000 0.000 0.298 446 H C 2.447 177.737 175.328 -0.064 0.000 1.103 446 H CA 2.099 58.094 56.048 -0.088 0.000 1.293 446 H CB -0.160 29.591 29.762 -0.018 0.000 1.372 446 H HN 0.226 nan 8.280 nan 0.000 0.501 447 Q N 0.422 120.226 119.800 0.006 0.000 2.084 447 Q HA -0.081 4.260 4.340 0.000 0.000 0.202 447 Q C 2.396 178.369 176.000 -0.045 0.000 0.978 447 Q CA 1.900 57.690 55.803 -0.022 0.000 0.844 447 Q CB -0.723 28.027 28.738 0.020 0.000 0.898 447 Q HN 0.559 nan 8.270 nan 0.000 0.426 448 A N 0.159 122.970 122.820 -0.014 0.000 1.908 448 A HA -0.143 4.177 4.320 0.000 0.000 0.218 448 A C 2.134 179.737 177.584 0.032 0.000 1.181 448 A CA 1.566 53.636 52.037 0.055 0.000 0.627 448 A CB -0.793 18.300 19.000 0.155 0.000 0.818 448 A HN 0.462 nan 8.150 nan 0.000 0.445 449 L N -1.036 120.079 121.223 -0.180 0.000 2.093 449 L HA -0.128 4.212 4.340 0.000 0.000 0.208 449 L C 2.783 179.597 176.870 -0.093 0.000 1.085 449 L CA 1.597 56.251 54.840 -0.310 0.000 0.755 449 L CB -0.760 40.798 42.059 -0.835 0.000 0.904 449 L HN 0.329 nan 8.230 nan 0.000 0.435 450 T N -0.810 113.638 114.554 -0.176 0.000 2.674 450 T HA -0.232 4.119 4.350 0.000 0.000 0.265 450 T C 2.027 176.706 174.700 -0.035 0.000 1.039 450 T CA 1.221 63.255 62.100 -0.110 0.000 1.150 450 T CB -0.232 68.547 68.868 -0.148 0.000 0.864 450 T HN 0.242 nan 8.240 nan 0.000 0.427 451 R N 1.194 121.685 120.500 -0.016 0.000 2.133 451 R HA -0.148 4.192 4.340 0.000 0.000 0.247 451 R C 1.532 177.843 176.300 0.018 0.000 1.151 451 R CA 1.629 57.734 56.100 0.008 0.000 0.971 451 R CB -0.131 30.184 30.300 0.024 0.000 0.866 451 R HN 0.520 nan 8.270 nan 0.000 0.447 452 E N -1.227 119.009 120.200 0.060 0.000 2.465 452 E HA 0.098 4.448 4.350 0.000 0.000 0.191 452 E C 0.679 177.220 176.600 -0.099 0.000 1.053 452 E CA 0.545 56.980 56.400 0.058 0.000 0.869 452 E CB 0.810 30.651 29.700 0.235 0.000 0.977 452 E HN 0.624 nan 8.360 nan 0.000 0.483 453 G N 1.260 109.998 108.800 -0.104 0.000 2.131 453 G HA2 -0.268 3.692 3.960 0.000 0.000 0.223 453 G HA3 -0.268 3.692 3.960 0.000 0.000 0.223 453 G C -0.302 174.441 174.900 -0.261 0.000 0.990 453 G CA -0.305 44.681 45.100 -0.191 0.000 0.671 453 G HN 0.220 nan 8.290 nan 0.000 0.521 454 Y N -0.615 119.645 120.300 -0.067 0.000 2.320 454 Y HA 0.584 5.134 4.550 0.000 0.000 0.324 454 Y C 0.662 176.581 175.900 0.033 0.000 1.190 454 Y CA -0.734 57.346 58.100 -0.032 0.000 1.215 454 Y CB 1.906 40.311 38.460 -0.092 0.000 1.221 454 Y HN 0.076 nan 8.280 nan 0.000 0.486 455 V N 4.244 124.289 119.914 0.218 0.000 2.531 455 V HA 0.184 4.304 4.120 0.000 0.000 0.301 455 V C -0.688 175.424 176.094 0.030 0.000 1.034 455 V CA -1.281 61.081 62.300 0.103 0.000 0.865 455 V CB 1.501 33.272 31.823 -0.088 0.000 0.995 455 V HN 0.588 nan 8.190 nan 0.000 0.424 456 F N 5.723 125.532 119.950 -0.235 0.000 2.578 456 F HA 0.277 4.805 4.527 0.000 0.000 0.381 456 F C 1.039 176.589 175.800 -0.416 0.000 1.069 456 F CA 0.463 58.061 58.000 -0.671 0.000 1.231 456 F CB 1.218 39.879 39.000 -0.565 0.000 1.086 456 F HN 0.361 nan 8.300 nan 0.000 0.564 457 V N 2.842 122.107 119.914 -1.082 0.000 3.604 457 V HA 0.727 4.848 4.120 0.000 0.000 0.277 457 V C 0.619 176.231 176.094 -0.804 0.000 1.399 457 V CA 0.476 62.317 62.300 -0.764 0.000 1.034 457 V CB -0.301 31.242 31.823 -0.468 0.000 0.824 457 V HN 1.285 nan 8.190 nan 0.000 0.439 458 G N -0.896 106.958 108.800 -1.576 0.000 2.350 458 G HA2 0.300 4.260 3.960 0.000 0.000 0.304 458 G HA3 0.300 4.260 3.960 0.000 0.000 0.304 458 G C -1.703 172.881 174.900 -0.526 0.000 1.421 458 G CA -0.796 43.787 45.100 -0.861 0.000 0.934 458 G HN 0.136 nan 8.290 nan 0.000 0.632 459 Y N 0.092 120.459 120.300 0.112 0.000 2.299 459 Y HA 0.593 5.143 4.550 0.000 0.000 0.326 459 Y C 0.664 176.702 175.900 0.229 0.000 1.164 459 Y CA 0.078 58.324 58.100 0.243 0.000 1.234 459 Y CB 1.565 40.191 38.460 0.275 0.000 1.219 459 Y HN 0.737 nan 8.280 nan 0.000 0.497 460 H N 1.249 120.511 119.070 0.319 0.000 2.587 460 H HA 0.546 5.102 4.556 0.000 0.000 0.325 460 H C -0.230 175.246 175.328 0.246 0.000 1.012 460 H CA -0.689 55.504 56.048 0.242 0.000 1.213 460 H CB 0.772 30.640 29.762 0.177 0.000 1.431 460 H HN 0.848 nan 8.280 nan 0.000 0.492 461 G N 3.377 112.092 108.800 -0.142 0.000 2.332 461 G HA2 0.481 4.441 3.960 0.000 0.000 0.310 461 G HA3 0.481 4.441 3.960 0.000 0.000 0.310 461 G C -0.721 174.061 174.900 -0.197 0.000 1.123 461 G CA -0.188 44.877 45.100 -0.058 0.000 0.873 461 G HN 0.680 nan 8.290 nan 0.000 0.460 462 T N -0.035 114.510 114.554 -0.015 0.000 2.711 462 T HA 0.408 4.758 4.350 0.000 0.000 0.302 462 T C -0.248 174.500 174.700 0.081 0.000 1.373 462 T CA -0.668 61.455 62.100 0.040 0.000 1.000 462 T CB 0.878 69.842 68.868 0.160 0.000 1.483 462 T HN 0.852 nan 8.240 nan 0.000 0.499 463 N N 0.773 119.518 118.700 0.076 0.000 2.371 463 N HA 0.134 4.874 4.740 0.000 0.000 0.243 463 N C 1.371 176.920 175.510 0.064 0.000 1.287 463 N CA 0.383 53.478 53.050 0.074 0.000 0.911 463 N CB 0.169 38.674 38.487 0.030 0.000 1.142 463 N HN 0.829 nan 8.380 nan 0.000 0.451 464 H N -0.604 118.498 119.070 0.052 0.000 2.457 464 H HA -0.031 4.526 4.556 0.000 0.000 0.294 464 H C 1.108 176.462 175.328 0.043 0.000 1.064 464 H CA 1.343 57.419 56.048 0.048 0.000 1.330 464 H CB -0.482 29.302 29.762 0.037 0.000 1.395 464 H HN 0.348 nan 8.280 nan 0.000 0.541 465 V N 1.676 121.255 119.914 -0.558 0.000 2.346 465 V HA -0.086 4.035 4.120 0.000 0.000 0.244 465 V C 3.225 179.254 176.094 -0.108 0.000 1.037 465 V CA 1.400 63.512 62.300 -0.313 0.000 1.029 465 V CB -1.071 30.548 31.823 -0.340 0.000 0.663 465 V HN 0.595 nan 8.190 nan 0.000 0.454 466 A N 0.317 123.096 122.820 -0.068 0.000 1.933 466 A HA -0.067 4.253 4.320 0.000 0.000 0.218 466 A C 2.411 180.030 177.584 0.059 0.000 1.175 466 A CA 2.015 54.063 52.037 0.018 0.000 0.628 466 A CB -0.716 18.325 19.000 0.069 0.000 0.814 466 A HN 0.559 nan 8.150 nan 0.000 0.444 467 A N -0.492 122.374 122.820 0.077 0.000 1.877 467 A HA -0.218 4.102 4.320 0.000 0.000 0.216 467 A C 2.209 179.828 177.584 0.058 0.000 1.186 467 A CA 1.847 53.949 52.037 0.108 0.000 0.620 467 A CB -0.668 18.411 19.000 0.132 0.000 0.822 467 A HN 0.690 nan 8.150 nan 0.000 0.443 468 Q N -0.485 119.335 119.800 0.034 0.000 2.045 468 Q HA -0.213 4.127 4.340 0.000 0.000 0.206 468 Q C 2.011 178.003 176.000 -0.012 0.000 0.991 468 Q CA 2.681 58.489 55.803 0.009 0.000 0.851 468 Q CB -0.555 28.189 28.738 0.010 0.000 0.911 468 Q HN 0.570 nan 8.270 nan 0.000 0.418 469 T N 1.422 115.967 114.554 -0.016 0.000 2.635 469 T HA -0.185 4.165 4.350 0.000 0.000 0.267 469 T C 1.845 176.530 174.700 -0.026 0.000 1.040 469 T CA 1.783 63.863 62.100 -0.033 0.000 1.156 469 T CB -0.327 68.525 68.868 -0.028 0.000 0.863 469 T HN 0.317 nan 8.240 nan 0.000 0.430 470 I N 0.749 121.320 120.570 0.003 0.000 2.226 470 I HA -0.142 4.028 4.170 0.000 0.000 0.245 470 I C 2.453 178.574 176.117 0.007 0.000 1.100 470 I CA 0.892 62.198 61.300 0.010 0.000 1.374 470 I CB -0.398 37.612 38.000 0.017 0.000 1.057 470 I HN 0.099 nan 8.210 nan 0.000 0.413 471 V N 0.989 120.907 119.914 0.006 0.000 2.427 471 V HA -0.223 3.898 4.120 0.000 0.000 0.248 471 V C 2.145 178.226 176.094 -0.022 0.000 1.051 471 V CA 1.587 63.884 62.300 -0.005 0.000 1.048 471 V CB -0.884 30.926 31.823 -0.021 0.000 0.666 471 V HN 0.438 nan 8.190 nan 0.000 0.456 472 N N 1.209 119.885 118.700 -0.041 0.000 2.036 472 N HA -0.136 4.604 4.740 0.000 0.000 0.195 472 N C 0.854 176.328 175.510 -0.060 0.000 1.037 472 N CA 1.561 54.570 53.050 -0.068 0.000 0.855 472 N CB -0.103 38.316 38.487 -0.113 0.000 1.033 472 N HN 0.742 nan 8.380 nan 0.000 0.423 473 R N -1.662 118.809 120.500 -0.049 0.000 3.466 473 R HA 0.251 4.592 4.340 0.000 0.000 0.262 473 R C -1.619 174.676 176.300 -0.009 0.000 0.997 473 R CA -0.596 55.494 56.100 -0.017 0.000 0.978 473 R CB -0.061 30.233 30.300 -0.010 0.000 1.256 473 R HN -0.137 nan 8.270 nan 0.000 0.536 474 I N 1.926 122.510 120.570 0.024 0.000 2.556 474 I HA 0.486 4.656 4.170 0.000 0.000 0.284 474 I C 0.236 176.368 176.117 0.025 0.000 1.114 474 I CA 0.200 61.532 61.300 0.053 0.000 1.418 474 I CB 1.348 39.413 38.000 0.108 0.000 1.394 474 I HN 0.789 nan 8.210 nan 0.000 0.552 475 A N 7.933 130.737 122.820 -0.027 0.000 2.515 475 A HA 0.804 5.124 4.320 0.000 0.000 0.298 475 A C -2.721 174.583 177.584 -0.468 0.000 1.059 475 A CA -1.508 50.434 52.037 -0.160 0.000 0.698 475 A CB 1.213 20.132 19.000 -0.135 0.000 1.289 475 A HN 0.407 nan 8.150 nan 0.000 0.404 476 P HA 0.377 nan 4.420 nan 0.000 0.269 476 P C -0.491 176.246 177.300 -0.938 0.000 1.209 476 P CA 0.005 62.018 63.100 -1.810 0.000 0.776 476 P CB 0.638 31.461 31.700 -1.462 0.000 0.876 477 V N -0.967 118.496 119.914 -0.751 0.000 2.925 477 V HA 0.644 4.764 4.120 0.000 0.000 0.311 477 V C -2.635 173.440 176.094 -0.031 0.000 1.104 477 V CA -2.944 59.224 62.300 -0.220 0.000 0.954 477 V CB 1.687 33.486 31.823 -0.040 0.000 1.022 477 V HN 0.364 nan 8.190 nan 0.000 0.427 478 P HA 0.224 nan 4.420 nan 0.000 0.269 478 P C -0.876 176.508 177.300 0.140 0.000 1.209 478 P CA -0.167 62.977 63.100 0.072 0.000 0.776 478 P CB 0.845 32.564 31.700 0.031 0.000 0.876 479 R N 1.291 121.894 120.500 0.173 0.000 2.346 479 R HA 0.483 4.823 4.340 0.000 0.000 0.311 479 R C 0.998 177.362 176.300 0.108 0.000 0.983 479 R CA 0.397 56.596 56.100 0.164 0.000 0.880 479 R CB 0.224 30.653 30.300 0.216 0.000 1.100 479 R HN 0.791 nan 8.270 nan 0.000 0.453 480 G N 3.283 112.128 108.800 0.075 0.000 2.622 480 G HA2 -0.397 3.563 3.960 0.000 0.000 0.307 480 G HA3 -0.397 3.563 3.960 0.000 0.000 0.307 480 G C 0.276 175.212 174.900 0.060 0.000 1.226 480 G CA 0.413 45.547 45.100 0.058 0.000 0.997 480 G HN 0.670 nan 8.290 nan 0.000 0.551 481 N N 2.471 121.206 118.700 0.058 0.000 2.279 481 N HA 0.058 4.798 4.740 0.000 0.000 0.226 481 N C 1.058 176.599 175.510 0.051 0.000 1.126 481 N CA 0.824 53.904 53.050 0.050 0.000 0.846 481 N CB -0.507 38.007 38.487 0.043 0.000 1.050 481 N HN 0.736 nan 8.380 nan 0.000 0.502 482 N N 0.367 119.107 118.700 0.066 0.000 2.782 482 N HA -0.176 4.564 4.740 0.000 0.000 0.251 482 N C -0.569 174.977 175.510 0.061 0.000 1.101 482 N CA 0.687 53.777 53.050 0.067 0.000 0.764 482 N CB -1.176 37.345 38.487 0.057 0.000 1.122 482 N HN 0.288 nan 8.380 nan 0.000 0.561 483 T N -2.251 112.339 114.554 0.061 0.000 2.868 483 T HA 0.121 4.471 4.350 0.000 0.000 0.292 483 T C 1.101 175.836 174.700 0.059 0.000 1.028 483 T CA 0.192 62.325 62.100 0.054 0.000 1.059 483 T CB 1.729 70.629 68.868 0.052 0.000 0.991 483 T HN 0.269 nan 8.240 nan 0.000 0.531 484 E N 1.133 121.360 120.200 0.046 0.000 2.130 484 E HA -0.294 4.056 4.350 0.000 0.000 0.196 484 E C 1.921 178.546 176.600 0.040 0.000 0.998 484 E CA 1.244 57.666 56.400 0.036 0.000 0.806 484 E CB -0.096 29.617 29.700 0.022 0.000 0.738 484 E HN 0.703 nan 8.360 nan 0.000 0.459 485 N N 0.349 119.081 118.700 0.054 0.000 2.142 485 N HA -0.161 4.580 4.740 0.000 0.000 0.186 485 N C 1.580 177.168 175.510 0.130 0.000 1.023 485 N CA 1.237 54.333 53.050 0.077 0.000 0.852 485 N CB 0.024 38.560 38.487 0.081 0.000 0.998 485 N HN 0.319 nan 8.380 nan 0.000 0.424 486 E N 0.395 120.672 120.200 0.129 0.000 2.106 486 E HA -0.114 4.236 4.350 0.000 0.000 0.192 486 E C 1.369 178.081 176.600 0.187 0.000 0.984 486 E CA 0.668 57.169 56.400 0.168 0.000 0.806 486 E CB 0.071 29.845 29.700 0.124 0.000 0.750 486 E HN 0.270 nan 8.360 nan 0.000 0.458 487 E N 0.899 121.176 120.200 0.130 0.000 2.418 487 E HA -0.095 4.255 4.350 0.000 0.000 0.197 487 E C 1.560 178.198 176.600 0.064 0.000 1.026 487 E CA 0.461 56.938 56.400 0.128 0.000 0.862 487 E CB 0.011 29.774 29.700 0.104 0.000 0.799 487 E HN 0.244 nan 8.360 nan 0.000 0.518 488 K N -0.539 119.849 120.400 -0.020 0.000 2.152 488 K HA -0.158 4.162 4.320 0.000 0.000 0.206 488 K C 1.020 177.371 176.600 -0.415 0.000 1.048 488 K CA 1.156 57.289 56.287 -0.256 0.000 0.933 488 K CB -0.105 32.167 32.500 -0.381 0.000 0.721 488 K HN 0.222 nan 8.250 nan 0.000 0.447 489 W N 1.038 122.379 121.300 0.068 0.000 3.102 489 W HA 0.231 4.891 4.660 0.000 0.000 0.401 489 W C 0.651 177.253 176.519 0.138 0.000 1.070 489 W CA -0.814 56.585 57.345 0.089 0.000 1.921 489 W CB 0.353 29.892 29.460 0.133 0.000 1.118 489 W HN -0.039 nan 8.180 nan 0.000 0.647 490 G N 0.990 109.936 108.800 0.244 0.000 2.442 490 G HA2 0.491 4.451 3.960 0.000 0.000 0.249 490 G HA3 0.491 4.451 3.960 0.000 0.000 0.249 490 G C 0.166 174.995 174.900 -0.118 0.000 1.263 490 G CA 0.653 45.893 45.100 0.234 0.000 0.846 490 G HN 0.260 nan 8.290 nan 0.000 0.555 491 G N -0.235 108.257 108.800 -0.513 0.000 2.356 491 G HA2 0.442 4.402 3.960 0.000 0.000 0.300 491 G HA3 0.442 4.402 3.960 0.000 0.000 0.300 491 G C -1.674 172.583 174.900 -1.072 0.000 1.331 491 G CA -0.773 43.565 45.100 -1.270 0.000 0.905 491 G HN 1.196 nan 8.290 nan 0.000 0.587 492 L N 0.576 121.200 121.223 -0.998 0.000 2.265 492 L HA 0.751 5.092 4.340 0.000 0.000 0.288 492 L C -0.947 175.819 176.870 -0.174 0.000 1.058 492 L CA -1.007 53.569 54.840 -0.439 0.000 0.809 492 L CB 0.225 42.099 42.059 -0.308 0.000 1.179 492 L HN 0.472 nan 8.230 nan 0.000 0.429 493 Y N 4.772 125.054 120.300 -0.030 0.000 2.327 493 Y HA 0.533 5.083 4.550 0.000 0.000 0.336 493 Y C 0.351 176.366 175.900 0.192 0.000 1.035 493 Y CA -0.174 57.958 58.100 0.052 0.000 1.165 493 Y CB 1.442 39.902 38.460 -0.000 0.000 1.181 493 Y HN 0.532 nan 8.280 nan 0.000 0.494 494 V N 0.145 120.186 119.914 0.211 0.000 3.102 494 V HA 1.049 5.170 4.120 0.000 0.000 0.312 494 V C -0.914 175.295 176.094 0.193 0.000 1.135 494 V CA -1.220 61.205 62.300 0.208 0.000 1.022 494 V CB 1.759 33.637 31.823 0.093 0.000 1.056 494 V HN 0.853 nan 8.190 nan 0.000 0.436 495 A N 1.145 124.101 122.820 0.226 0.000 2.486 495 A HA 0.726 5.047 4.320 0.000 0.000 0.300 495 A C 0.584 178.348 177.584 0.300 0.000 1.048 495 A CA 0.063 52.246 52.037 0.245 0.000 0.696 495 A CB 1.711 20.869 19.000 0.264 0.000 1.278 495 A HN 1.714 nan 8.150 nan 0.000 0.405 496 T N -1.056 113.681 114.554 0.304 0.000 2.985 496 T HA 0.013 4.363 4.350 0.000 0.000 0.266 496 T C 0.548 175.506 174.700 0.430 0.000 1.076 496 T CA 1.363 63.669 62.100 0.343 0.000 1.135 496 T CB -0.485 68.581 68.868 0.330 0.000 0.890 496 T HN 0.628 nan 8.240 nan 0.000 0.480 497 H N 1.085 120.306 119.070 0.251 0.000 2.800 497 H HA 0.682 5.238 4.556 0.000 0.000 0.291 497 H C 1.348 176.790 175.328 0.190 0.000 1.076 497 H CA -0.073 56.094 56.048 0.198 0.000 1.452 497 H CB 1.021 30.856 29.762 0.122 0.000 1.461 497 H HN 0.282 nan 8.280 nan 0.000 0.488 498 A N 3.369 126.284 122.820 0.159 0.000 1.978 498 A HA -0.217 4.103 4.320 0.000 0.000 0.220 498 A C 2.182 179.767 177.584 0.001 0.000 1.170 498 A CA 1.733 53.718 52.037 -0.086 0.000 0.636 498 A CB -0.264 18.494 19.000 -0.403 0.000 0.810 498 A HN 0.834 nan 8.150 nan 0.000 0.448 499 E N -0.454 119.774 120.200 0.047 0.000 2.110 499 E HA -0.117 4.233 4.350 0.000 0.000 0.193 499 E C 1.901 178.552 176.600 0.085 0.000 0.988 499 E CA 1.201 57.632 56.400 0.051 0.000 0.804 499 E CB -0.119 29.602 29.700 0.035 0.000 0.745 499 E HN 0.405 nan 8.360 nan 0.000 0.458 500 V N 0.951 120.939 119.914 0.122 0.000 2.295 500 V HA -0.290 3.830 4.120 0.000 0.000 0.246 500 V C 2.343 178.533 176.094 0.160 0.000 1.049 500 V CA 1.891 64.262 62.300 0.118 0.000 1.024 500 V CB -0.795 31.128 31.823 0.167 0.000 0.648 500 V HN 0.382 nan 8.190 nan 0.000 0.447 501 A N -0.967 121.981 122.820 0.213 0.000 1.933 501 A HA -0.281 4.039 4.320 0.000 0.000 0.218 501 A C 2.263 179.934 177.584 0.144 0.000 1.175 501 A CA 1.875 54.050 52.037 0.230 0.000 0.628 501 A CB -0.921 18.232 19.000 0.255 0.000 0.814 501 A HN 0.706 nan 8.150 nan 0.000 0.444 502 H N -0.135 118.932 119.070 -0.005 0.000 2.421 502 H HA -0.109 4.447 4.556 0.000 0.000 0.298 502 H C 2.188 177.459 175.328 -0.095 0.000 1.087 502 H CA 1.420 57.441 56.048 -0.044 0.000 1.330 502 H CB -0.296 29.427 29.762 -0.064 0.000 1.388 502 H HN 0.440 nan 8.280 nan 0.000 0.526 503 G N -0.585 108.127 108.800 -0.147 0.000 2.479 503 G HA2 -0.265 3.695 3.960 0.000 0.000 0.220 503 G HA3 -0.265 3.695 3.960 0.000 0.000 0.220 503 G C 0.749 175.325 174.900 -0.541 0.000 1.115 503 G CA 0.744 45.609 45.100 -0.392 0.000 0.757 503 G HN 0.452 nan 8.290 nan 0.000 0.560 504 Y N -0.181 120.048 120.300 -0.118 0.000 2.467 504 Y HA 0.530 5.080 4.550 0.000 0.000 0.250 504 Y C 1.874 177.691 175.900 -0.139 0.000 1.155 504 Y CA -0.699 57.323 58.100 -0.130 0.000 1.249 504 Y CB 0.325 38.703 38.460 -0.137 0.000 1.146 504 Y HN 0.166 nan 8.280 nan 0.000 0.524 505 A N 2.430 125.205 122.820 -0.075 0.000 3.077 505 A HA 0.483 4.803 4.320 0.000 0.000 0.255 505 A C 0.388 177.926 177.584 -0.076 0.000 1.728 505 A CA -0.180 51.814 52.037 -0.070 0.000 1.383 505 A CB -1.164 17.779 19.000 -0.094 0.000 1.097 505 A HN 0.455 nan 8.150 nan 0.000 0.634 506 R N -0.417 120.073 120.500 -0.016 0.000 2.739 506 R HA 0.436 4.776 4.340 0.000 0.000 0.266 506 R C -1.430 174.908 176.300 0.063 0.000 1.044 506 R CA -1.018 55.089 56.100 0.011 0.000 0.885 506 R CB 0.470 30.738 30.300 -0.054 0.000 1.260 506 R HN 0.093 nan 8.270 nan 0.000 0.477 507 I N 2.281 122.922 120.570 0.118 0.000 2.683 507 I HA -0.034 4.136 4.170 0.000 0.000 0.286 507 I C 0.907 177.145 176.117 0.203 0.000 1.175 507 I CA 0.424 61.815 61.300 0.153 0.000 1.429 507 I CB 0.666 38.765 38.000 0.166 0.000 1.371 507 I HN 0.700 nan 8.210 nan 0.000 0.569 508 K N 4.068 124.558 120.400 0.150 0.000 2.370 508 K HA 0.233 4.554 4.320 0.000 0.000 0.194 508 K C -0.032 176.678 176.600 0.184 0.000 1.070 508 K CA 0.317 56.655 56.287 0.084 0.000 0.998 508 K CB 0.495 33.026 32.500 0.053 0.000 0.911 508 K HN 0.545 nan 8.250 nan 0.000 0.533 509 E N 0.360 120.701 120.200 0.236 0.000 2.256 509 E HA 0.283 4.633 4.350 0.000 0.000 0.268 509 E C -0.920 175.737 176.600 0.095 0.000 0.877 509 E CA -0.705 55.813 56.400 0.195 0.000 0.757 509 E CB 2.112 31.864 29.700 0.087 0.000 1.183 509 E HN 0.175 nan 8.360 nan 0.000 0.418 510 G N 0.244 109.064 108.800 0.033 0.000 2.444 510 G HA2 0.263 4.223 3.960 0.000 0.000 0.268 510 G HA3 0.263 4.223 3.960 0.000 0.000 0.268 510 G C 0.636 175.426 174.900 -0.185 0.000 1.203 510 G CA -0.212 44.780 45.100 -0.180 0.000 0.835 510 G HN 0.528 nan 8.290 nan 0.000 0.543 511 T N -1.021 113.347 114.554 -0.310 0.000 3.084 511 T HA 0.389 4.740 4.350 0.000 0.000 0.270 511 T C 1.139 175.670 174.700 -0.281 0.000 1.008 511 T CA 0.349 62.157 62.100 -0.486 0.000 0.900 511 T CB 0.470 68.624 68.868 -1.190 0.000 1.084 511 T HN 0.706 nan 8.240 nan 0.000 0.538 512 G N 0.541 109.238 108.800 -0.171 0.000 2.535 512 G HA2 0.419 4.379 3.960 0.000 0.000 0.282 512 G HA3 0.419 4.379 3.960 0.000 0.000 0.282 512 G C -0.512 174.355 174.900 -0.055 0.000 1.350 512 G CA -0.740 44.308 45.100 -0.087 0.000 1.039 512 G HN 0.449 nan 8.290 nan 0.000 0.509 513 E N -0.978 119.179 120.200 -0.072 0.000 2.413 513 E HA 0.074 4.425 4.350 0.000 0.000 0.263 513 E C -0.406 176.131 176.600 -0.106 0.000 1.015 513 E CA 0.135 56.412 56.400 -0.204 0.000 0.916 513 E CB 0.065 29.566 29.700 -0.331 0.000 0.947 513 E HN 0.424 nan 8.360 nan 0.000 0.440 514 Y N 0.841 121.150 120.300 0.015 0.000 4.798 514 Y HA -0.297 4.253 4.550 0.000 0.000 0.237 514 Y C 1.022 176.932 175.900 0.017 0.000 1.017 514 Y CA 0.923 59.032 58.100 0.016 0.000 2.010 514 Y CB -2.069 36.398 38.460 0.012 0.000 1.582 514 Y HN 0.870 nan 8.280 nan 0.000 0.621 515 G N -0.580 108.278 108.800 0.097 0.000 2.162 515 G HA2 -0.326 3.634 3.960 0.000 0.000 0.260 515 G HA3 -0.326 3.634 3.960 0.000 0.000 0.260 515 G C 0.120 175.045 174.900 0.043 0.000 0.976 515 G CA 0.196 45.335 45.100 0.064 0.000 0.655 515 G HN 0.487 nan 8.290 nan 0.000 0.533 516 L N 2.063 123.315 121.223 0.048 0.000 2.418 516 L HA 0.440 4.780 4.340 0.000 0.000 0.265 516 L C -1.246 175.541 176.870 -0.139 0.000 1.143 516 L CA -2.097 52.739 54.840 -0.007 0.000 0.809 516 L CB 0.786 42.877 42.059 0.054 0.000 1.124 516 L HN -0.047 nan 8.230 nan 0.000 0.456 517 P HA 0.056 nan 4.420 nan 0.000 0.271 517 P C -0.485 176.675 177.300 -0.233 0.000 1.218 517 P CA -0.416 62.432 63.100 -0.420 0.000 0.780 517 P CB 0.513 31.722 31.700 -0.818 0.000 0.901 518 T N -0.362 114.075 114.554 -0.195 0.000 2.748 518 T HA 0.109 4.460 4.350 0.000 0.000 0.304 518 T C 1.429 176.065 174.700 -0.106 0.000 1.041 518 T CA -0.329 61.699 62.100 -0.120 0.000 1.033 518 T CB 0.655 69.463 68.868 -0.101 0.000 0.995 518 T HN 0.381 nan 8.240 nan 0.000 0.536 519 R N 0.399 120.862 120.500 -0.063 0.000 2.081 519 R HA -0.077 4.263 4.340 0.000 0.000 0.235 519 R C 2.630 178.904 176.300 -0.043 0.000 1.131 519 R CA 1.481 57.554 56.100 -0.046 0.000 0.960 519 R CB -1.011 29.274 30.300 -0.025 0.000 0.856 519 R HN 0.848 nan 8.270 nan 0.000 0.436 520 A N 0.606 123.403 122.820 -0.038 0.000 1.969 520 A HA -0.160 4.160 4.320 0.000 0.000 0.218 520 A C 1.821 179.389 177.584 -0.028 0.000 1.169 520 A CA 1.412 53.434 52.037 -0.026 0.000 0.635 520 A CB -0.304 18.689 19.000 -0.011 0.000 0.810 520 A HN 0.467 nan 8.150 nan 0.000 0.445 521 E N -0.616 119.547 120.200 -0.062 0.000 2.106 521 E HA -0.133 4.217 4.350 0.000 0.000 0.192 521 E C 2.329 178.890 176.600 -0.065 0.000 0.984 521 E CA 0.744 57.099 56.400 -0.075 0.000 0.806 521 E CB -0.106 29.488 29.700 -0.176 0.000 0.750 521 E HN 0.497 nan 8.360 nan 0.000 0.458 522 R N 0.686 121.132 120.500 -0.089 0.000 2.075 522 R HA -0.101 4.239 4.340 0.000 0.000 0.232 522 R C 1.363 177.670 176.300 0.011 0.000 1.126 522 R CA 1.200 57.281 56.100 -0.032 0.000 0.963 522 R CB -0.065 30.210 30.300 -0.042 0.000 0.858 522 R HN 0.124 nan 8.270 nan 0.000 0.435 523 D N 0.395 120.792 120.400 -0.006 0.000 2.371 523 D HA 0.036 4.676 4.640 0.000 0.000 0.221 523 D C 0.325 176.619 176.300 -0.010 0.000 0.986 523 D CA 0.357 54.355 54.000 -0.004 0.000 0.899 523 D CB 0.056 40.848 40.800 -0.013 0.000 0.902 523 D HN 0.183 nan 8.370 nan 0.000 0.530 524 A N 0.622 123.440 122.820 -0.004 0.000 2.287 524 A HA 0.562 4.883 4.320 0.000 0.000 0.273 524 A C 0.495 178.087 177.584 0.014 0.000 1.091 524 A CA -0.353 51.670 52.037 -0.023 0.000 0.817 524 A CB 0.921 19.928 19.000 0.012 0.000 1.069 524 A HN -0.122 nan 8.150 nan 0.000 0.492 525 R N -0.165 120.334 120.500 -0.001 0.000 2.750 525 R HA 0.529 4.869 4.340 0.000 0.000 0.281 525 R C 0.373 176.720 176.300 0.078 0.000 0.972 525 R CA -0.162 55.960 56.100 0.036 0.000 0.912 525 R CB 1.710 32.028 30.300 0.029 0.000 1.187 525 R HN 0.919 nan 8.270 nan 0.000 0.464 526 G N 0.154 108.998 108.800 0.074 0.000 2.563 526 G HA2 0.445 4.405 3.960 0.000 0.000 0.283 526 G HA3 0.445 4.405 3.960 0.000 0.000 0.283 526 G C -0.851 174.110 174.900 0.102 0.000 1.309 526 G CA -0.313 44.843 45.100 0.094 0.000 1.022 526 G HN 0.242 nan 8.290 nan 0.000 0.501 527 V N 0.842 120.826 119.914 0.116 0.000 2.638 527 V HA 0.349 4.469 4.120 0.000 0.000 0.306 527 V C -0.323 175.865 176.094 0.156 0.000 1.052 527 V CA -0.763 61.620 62.300 0.138 0.000 0.885 527 V CB 1.915 33.826 31.823 0.146 0.000 0.999 527 V HN 0.610 nan 8.190 nan 0.000 0.424 528 M N 5.611 125.321 119.600 0.183 0.000 2.108 528 M HA 0.509 4.989 4.480 0.000 0.000 0.354 528 M C -0.705 175.783 176.300 0.313 0.000 1.229 528 M CA 0.055 55.495 55.300 0.233 0.000 1.081 528 M CB 0.812 33.528 32.600 0.194 0.000 1.606 528 M HN 0.417 nan 8.290 nan 0.000 0.467 529 L N 3.490 124.935 121.223 0.369 0.000 2.334 529 L HA 0.583 4.923 4.340 0.000 0.000 0.272 529 L C 0.176 177.322 176.870 0.461 0.000 1.020 529 L CA -0.883 54.181 54.840 0.374 0.000 0.812 529 L CB 1.771 44.020 42.059 0.317 0.000 1.264 529 L HN 0.616 nan 8.230 nan 0.000 0.439 530 R N 1.254 121.999 120.500 0.409 0.000 2.338 530 R HA 0.615 4.955 4.340 0.000 0.000 0.317 530 R C -1.203 175.281 176.300 0.307 0.000 0.968 530 R CA -0.671 55.672 56.100 0.405 0.000 0.849 530 R CB 2.121 32.694 30.300 0.455 0.000 1.128 530 R HN 0.274 nan 8.270 nan 0.000 0.448 531 V N 3.955 123.891 119.914 0.037 0.000 2.513 531 V HA 0.440 4.561 4.120 0.000 0.000 0.299 531 V C -0.906 175.048 176.094 -0.234 0.000 1.035 531 V CA -0.754 61.542 62.300 -0.006 0.000 0.889 531 V CB 1.300 33.104 31.823 -0.030 0.000 0.988 531 V HN 0.624 nan 8.190 nan 0.000 0.440 532 Y N 4.317 124.589 120.300 -0.047 0.000 2.462 532 Y HA 0.733 5.283 4.550 0.000 0.000 0.346 532 Y C 0.175 176.095 175.900 0.035 0.000 0.976 532 Y CA -0.880 57.204 58.100 -0.027 0.000 1.044 532 Y CB 2.090 40.516 38.460 -0.057 0.000 1.230 532 Y HN 0.640 nan 8.280 nan 0.000 0.455 533 I N 0.052 120.716 120.570 0.156 0.000 2.846 533 I HA 0.766 4.936 4.170 0.000 0.000 0.307 533 I C -3.046 173.137 176.117 0.110 0.000 1.053 533 I CA -3.175 58.212 61.300 0.146 0.000 1.050 533 I CB 2.407 40.379 38.000 -0.046 0.000 1.239 533 I HN 0.239 nan 8.210 nan 0.000 0.439 534 P HA 0.171 nan 4.420 nan 0.000 0.269 534 P C 0.123 177.307 177.300 -0.194 0.000 1.209 534 P CA -0.216 62.733 63.100 -0.252 0.000 0.776 534 P CB 0.727 32.271 31.700 -0.259 0.000 0.876 535 R N 3.202 123.580 120.500 -0.203 0.000 2.105 535 R HA -0.214 4.126 4.340 0.000 0.000 0.239 535 R C 1.885 178.090 176.300 -0.159 0.000 1.135 535 R CA 2.084 58.083 56.100 -0.168 0.000 0.967 535 R CB -0.942 29.275 30.300 -0.140 0.000 0.861 535 R HN 0.541 nan 8.270 nan 0.000 0.442 536 A N -0.130 122.597 122.820 -0.154 0.000 1.978 536 A HA -0.146 4.174 4.320 0.000 0.000 0.220 536 A C 2.130 179.635 177.584 -0.132 0.000 1.170 536 A CA 1.932 53.888 52.037 -0.135 0.000 0.636 536 A CB -0.489 18.429 19.000 -0.136 0.000 0.810 536 A HN 0.442 nan 8.150 nan 0.000 0.448 537 S N -0.255 115.361 115.700 -0.140 0.000 2.447 537 S HA -0.040 4.430 4.470 0.000 0.000 0.233 537 S C 1.584 176.114 174.600 -0.116 0.000 1.006 537 S CA 1.026 59.162 58.200 -0.107 0.000 0.957 537 S CB -0.411 62.745 63.200 -0.074 0.000 0.773 537 S HN 0.550 nan 8.310 nan 0.000 0.507 538 L N 1.327 122.437 121.223 -0.188 0.000 2.353 538 L HA -0.087 4.253 4.340 0.000 0.000 0.220 538 L C 2.193 178.981 176.870 -0.136 0.000 1.133 538 L CA 0.753 55.468 54.840 -0.208 0.000 0.798 538 L CB -0.408 41.499 42.059 -0.253 0.000 0.922 538 L HN 0.185 nan 8.230 nan 0.000 0.445 539 E N 0.480 120.601 120.200 -0.132 0.000 2.347 539 E HA -0.091 4.259 4.350 0.000 0.000 0.196 539 E C 1.046 177.507 176.600 -0.232 0.000 1.008 539 E CA 0.819 57.140 56.400 -0.132 0.000 0.852 539 E CB 0.037 29.686 29.700 -0.086 0.000 0.783 539 E HN 0.478 nan 8.360 nan 0.000 0.505 540 R N -0.360 119.966 120.500 -0.290 0.000 2.748 540 R HA 0.200 4.540 4.340 0.000 0.000 0.395 540 R C -0.559 175.289 176.300 -0.755 0.000 1.128 540 R CA -0.279 55.457 56.100 -0.607 0.000 1.042 540 R CB 0.130 30.324 30.300 -0.176 0.000 1.392 540 R HN -0.113 nan 8.270 nan 0.000 0.582 541 F N 1.482 120.970 119.950 -0.770 0.000 2.310 541 F HA 0.352 4.880 4.527 0.000 0.000 0.365 541 F C -0.747 174.799 175.800 -0.423 0.000 1.080 541 F CA -1.084 56.637 58.000 -0.464 0.000 1.187 541 F CB 0.263 39.100 39.000 -0.271 0.000 1.465 541 F HN -0.016 nan 8.300 nan 0.000 0.496 542 Y N 2.981 122.989 120.300 -0.487 0.000 2.354 542 Y HA 0.636 5.186 4.550 0.000 0.000 0.322 542 Y C 0.362 175.857 175.900 -0.675 0.000 1.253 542 Y CA -0.843 56.851 58.100 -0.676 0.000 1.272 542 Y CB 0.995 38.637 38.460 -1.363 0.000 1.255 542 Y HN 0.381 nan 8.280 nan 0.000 0.500 543 R N 0.075 120.434 120.500 -0.234 0.000 2.740 543 R HA 0.652 4.992 4.340 0.000 0.000 0.273 543 R C -1.497 174.853 176.300 0.083 0.000 0.998 543 R CA -0.527 55.479 56.100 -0.157 0.000 0.900 543 R CB 2.216 32.303 30.300 -0.355 0.000 1.223 543 R HN 0.808 nan 8.270 nan 0.000 0.466 544 T N 0.449 115.105 114.554 0.170 0.000 2.896 544 T HA 0.313 4.663 4.350 0.000 0.000 0.297 544 T C -0.099 174.620 174.700 0.030 0.000 1.108 544 T CA -0.733 61.461 62.100 0.157 0.000 1.004 544 T CB 1.520 70.554 68.868 0.278 0.000 1.159 544 T HN 0.642 nan 8.240 nan 0.000 0.499 545 N N 1.140 119.831 118.700 -0.014 0.000 2.463 545 N HA 0.079 4.819 4.740 0.000 0.000 0.181 545 N C 0.276 175.765 175.510 -0.035 0.000 1.078 545 N CA 0.396 53.426 53.050 -0.033 0.000 0.902 545 N CB 0.059 38.525 38.487 -0.036 0.000 0.970 545 N HN 0.576 nan 8.380 nan 0.000 0.451 546 T N 3.120 117.653 114.554 -0.035 0.000 2.851 546 T HA 0.205 4.555 4.350 0.000 0.000 0.298 546 T C -2.483 172.203 174.700 -0.023 0.000 0.977 546 T CA -1.103 60.975 62.100 -0.036 0.000 1.126 546 T CB 1.331 70.169 68.868 -0.051 0.000 0.916 546 T HN -0.009 nan 8.240 nan 0.000 0.529 547 P HA 0.084 nan 4.420 nan 0.000 0.262 547 P C 1.070 178.330 177.300 -0.065 0.000 1.182 547 P CA -0.040 63.027 63.100 -0.055 0.000 0.761 547 P CB 0.380 32.042 31.700 -0.063 0.000 0.795 548 L N 3.015 124.182 121.223 -0.093 0.000 2.089 548 L HA -0.261 4.080 4.340 0.000 0.000 0.213 548 L C 2.330 179.054 176.870 -0.244 0.000 1.079 548 L CA 1.852 56.609 54.840 -0.138 0.000 0.758 548 L CB -0.887 41.035 42.059 -0.229 0.000 0.891 548 L HN 0.547 nan 8.230 nan 0.000 0.433 549 E N 0.087 120.111 120.200 -0.293 0.000 2.219 549 E HA -0.243 4.107 4.350 0.000 0.000 0.198 549 E C 0.914 177.479 176.600 -0.059 0.000 0.998 549 E CA 1.550 57.797 56.400 -0.255 0.000 0.818 549 E CB -0.258 29.322 29.700 -0.201 0.000 0.741 549 E HN 0.618 nan 8.360 nan 0.000 0.477 550 N N -0.023 118.661 118.700 -0.025 0.000 2.177 550 N HA 0.179 4.920 4.740 0.000 0.000 0.218 550 N C 0.287 175.817 175.510 0.034 0.000 1.182 550 N CA 0.608 53.665 53.050 0.011 0.000 0.882 550 N CB 1.501 39.980 38.487 -0.013 0.000 1.052 550 N HN 0.223 nan 8.380 nan 0.000 0.519 551 A N 0.397 123.255 122.820 0.063 0.000 2.465 551 A HA 0.102 4.422 4.320 0.000 0.000 0.255 551 A C 1.725 179.328 177.584 0.031 0.000 1.274 551 A CA -0.226 51.842 52.037 0.052 0.000 0.920 551 A CB 0.129 19.152 19.000 0.040 0.000 1.033 551 A HN 0.171 nan 8.150 nan 0.000 0.516 552 E N 0.635 120.888 120.200 0.088 0.000 2.085 552 E HA -0.289 4.061 4.350 0.000 0.000 0.194 552 E C 1.766 178.293 176.600 -0.121 0.000 0.994 552 E CA 1.730 58.120 56.400 -0.016 0.000 0.801 552 E CB -0.020 29.704 29.700 0.039 0.000 0.743 552 E HN 0.614 nan 8.360 nan 0.000 0.453 553 E N 0.424 120.590 120.200 -0.057 0.000 2.031 553 E HA -0.257 4.093 4.350 0.000 0.000 0.193 553 E C 2.040 178.591 176.600 -0.082 0.000 0.994 553 E CA 1.892 58.253 56.400 -0.065 0.000 0.800 553 E CB -0.550 29.136 29.700 -0.023 0.000 0.752 553 E HN 0.471 nan 8.360 nan 0.000 0.447 554 H N 0.336 119.322 119.070 -0.140 0.000 2.289 554 H HA -0.154 4.402 4.556 0.000 0.000 0.296 554 H C 2.224 177.403 175.328 -0.248 0.000 1.091 554 H CA 2.104 58.060 56.048 -0.153 0.000 1.274 554 H CB -0.251 29.437 29.762 -0.122 0.000 1.364 554 H HN 0.286 nan 8.280 nan 0.000 0.490 555 I N 1.162 121.357 120.570 -0.625 0.000 2.163 555 I HA -0.281 3.889 4.170 0.000 0.000 0.243 555 I C 2.907 178.677 176.117 -0.578 0.000 1.085 555 I CA 1.918 62.670 61.300 -0.914 0.000 1.347 555 I CB -0.440 36.990 38.000 -0.950 0.000 1.044 555 I HN 0.467 nan 8.210 nan 0.000 0.408 556 T N -1.742 112.555 114.554 -0.427 0.000 2.788 556 T HA -0.180 4.170 4.350 0.000 0.000 0.268 556 T C 1.823 176.343 174.700 -0.300 0.000 1.044 556 T CA 0.832 62.714 62.100 -0.364 0.000 1.139 556 T CB -0.284 68.425 68.868 -0.265 0.000 0.867 556 T HN 0.256 nan 8.240 nan 0.000 0.454 557 Q N 0.767 120.415 119.800 -0.253 0.000 2.079 557 Q HA 0.027 4.367 4.340 0.000 0.000 0.200 557 Q C 2.717 178.589 176.000 -0.215 0.000 0.974 557 Q CA 0.981 56.673 55.803 -0.184 0.000 0.840 557 Q CB -0.903 27.764 28.738 -0.118 0.000 0.898 557 Q HN 0.511 nan 8.270 nan 0.000 0.430 558 V N 2.253 121.972 119.914 -0.325 0.000 2.261 558 V HA -0.230 3.890 4.120 0.000 0.000 0.246 558 V C 2.371 178.289 176.094 -0.293 0.000 1.047 558 V CA 1.938 64.036 62.300 -0.336 0.000 1.015 558 V CB -0.715 30.826 31.823 -0.470 0.000 0.642 558 V HN 0.451 nan 8.190 nan 0.000 0.446 559 I N -1.414 118.967 120.570 -0.316 0.000 2.876 559 I HA 0.293 4.463 4.170 0.000 0.000 0.264 559 I C 1.541 177.554 176.117 -0.174 0.000 1.204 559 I CA 1.151 62.307 61.300 -0.239 0.000 1.485 559 I CB -0.475 37.317 38.000 -0.346 0.000 1.103 559 I HN 0.456 nan 8.210 nan 0.000 0.446 560 G N 2.249 110.921 108.800 -0.213 0.000 2.137 560 G HA2 -0.271 3.690 3.960 0.000 0.000 0.237 560 G HA3 -0.271 3.690 3.960 0.000 0.000 0.237 560 G C 0.036 174.934 174.900 -0.002 0.000 1.002 560 G CA 0.549 45.604 45.100 -0.076 0.000 0.702 560 G HN 1.053 nan 8.290 nan 0.000 0.515 561 H N -2.387 116.642 119.070 -0.068 0.000 2.967 561 H HA 0.757 5.313 4.556 0.000 0.000 0.318 561 H C 0.140 175.413 175.328 -0.093 0.000 1.375 561 H CA -0.324 55.685 56.048 -0.065 0.000 1.132 561 H CB 0.219 29.953 29.762 -0.046 0.000 1.848 561 H HN 0.644 nan 8.280 nan 0.000 0.524 562 S N 0.651 116.385 115.700 0.056 0.000 2.584 562 S HA 0.255 4.725 4.470 0.000 0.000 0.270 562 S C 0.280 174.875 174.600 -0.009 0.000 1.346 562 S CA -0.946 57.233 58.200 -0.035 0.000 1.018 562 S CB 0.285 63.472 63.200 -0.022 0.000 0.899 562 S HN 0.570 nan 8.310 nan 0.000 0.542 563 L N 2.352 123.473 121.223 -0.169 0.000 2.483 563 L HA 0.263 4.603 4.340 0.000 0.000 0.275 563 L C -1.585 175.223 176.870 -0.103 0.000 1.220 563 L CA -1.518 53.191 54.840 -0.218 0.000 0.833 563 L CB -0.298 41.468 42.059 -0.489 0.000 1.102 563 L HN 0.582 nan 8.230 nan 0.000 0.490 564 P HA 0.185 nan 4.420 nan 0.000 0.276 564 P C -0.658 176.658 177.300 0.027 0.000 1.261 564 P CA -0.630 62.422 63.100 -0.080 0.000 0.800 564 P CB 0.642 32.342 31.700 0.000 0.000 1.066 565 L N 0.832 122.048 121.223 -0.013 0.000 2.485 565 L HA 0.086 4.426 4.340 0.000 0.000 0.275 565 L C 1.880 178.829 176.870 0.131 0.000 1.207 565 L CA 0.305 55.196 54.840 0.084 0.000 0.855 565 L CB -0.187 41.886 42.059 0.024 0.000 1.114 565 L HN 0.435 nan 8.230 nan 0.000 0.485 566 R N 1.370 121.987 120.500 0.195 0.000 1.799 566 R HA 0.160 4.501 4.340 0.000 0.000 0.119 566 R C 0.424 176.802 176.300 0.129 0.000 1.882 566 R CA -0.710 55.460 56.100 0.116 0.000 1.770 566 R CB -0.144 30.157 30.300 0.001 0.000 1.326 566 R HN 0.450 nan 8.270 nan 0.000 0.521 567 N N 2.223 120.999 118.700 0.127 0.000 3.178 567 N HA -0.014 4.726 4.740 0.000 0.000 0.300 567 N C -1.400 174.189 175.510 0.131 0.000 1.242 567 N CA 0.288 53.413 53.050 0.126 0.000 1.192 567 N CB -0.278 38.269 38.487 0.101 0.000 1.463 567 N HN 0.384 nan 8.380 nan 0.000 0.539 568 E N -0.713 119.570 120.200 0.137 0.000 2.409 568 E HA 0.592 4.942 4.350 0.000 0.000 0.280 568 E C -1.901 174.751 176.600 0.086 0.000 1.079 568 E CA -1.151 55.334 56.400 0.141 0.000 0.840 568 E CB 0.658 30.540 29.700 0.305 0.000 1.309 568 E HN 0.061 nan 8.360 nan 0.000 0.447 569 A N 0.912 123.726 122.820 -0.010 0.000 2.454 569 A HA 0.834 5.154 4.320 0.000 0.000 0.302 569 A C -1.828 175.648 177.584 -0.180 0.000 1.079 569 A CA -0.703 51.236 52.037 -0.164 0.000 0.731 569 A CB 1.290 20.036 19.000 -0.424 0.000 1.299 569 A HN 0.455 nan 8.150 nan 0.000 0.413 570 F N 0.278 120.105 119.950 -0.205 0.000 2.556 570 F HA 0.603 5.130 4.527 0.000 0.000 0.314 570 F C 0.275 175.958 175.800 -0.194 0.000 1.106 570 F CA 0.137 58.065 58.000 -0.120 0.000 0.911 570 F CB 2.882 41.877 39.000 -0.008 0.000 1.190 570 F HN 0.551 nan 8.300 nan 0.000 0.448 571 T N 2.144 116.668 114.554 -0.050 0.000 2.885 571 T HA 0.852 5.202 4.350 0.000 0.000 0.285 571 T C -0.383 174.319 174.700 0.003 0.000 1.019 571 T CA -0.785 61.255 62.100 -0.099 0.000 1.010 571 T CB 1.756 70.438 68.868 -0.310 0.000 1.022 571 T HN 0.919 nan 8.240 nan 0.000 0.466 572 G N 1.899 110.683 108.800 -0.026 0.000 2.489 572 G HA2 0.546 4.506 3.960 0.000 0.000 0.291 572 G HA3 0.546 4.506 3.960 0.000 0.000 0.291 572 G C -3.436 171.438 174.900 -0.043 0.000 1.487 572 G CA -1.068 44.022 45.100 -0.018 0.000 0.795 572 G HN 0.427 nan 8.290 nan 0.000 0.513 573 P HA 0.091 nan 4.420 nan 0.000 0.263 573 P C 0.650 177.920 177.300 -0.051 0.000 1.175 573 P CA 0.274 63.341 63.100 -0.056 0.000 0.761 573 P CB 0.652 32.319 31.700 -0.055 0.000 0.794 574 E N 1.755 121.933 120.200 -0.037 0.000 2.347 574 E HA -0.038 4.312 4.350 0.000 0.000 0.196 574 E C 0.192 176.763 176.600 -0.049 0.000 1.008 574 E CA 0.488 56.871 56.400 -0.029 0.000 0.852 574 E CB -0.123 29.590 29.700 0.022 0.000 0.783 574 E HN 0.404 nan 8.360 nan 0.000 0.505 575 S N -1.112 114.559 115.700 -0.049 0.000 2.643 575 S HA 0.706 5.176 4.470 0.000 0.000 0.270 575 S C -0.599 173.972 174.600 -0.048 0.000 1.166 575 S CA -0.888 57.281 58.200 -0.051 0.000 0.815 575 S CB 0.891 64.067 63.200 -0.041 0.000 1.139 575 S HN 0.345 nan 8.310 nan 0.000 0.472 576 A N 0.253 123.047 122.820 -0.044 0.000 2.522 576 A HA 0.539 4.859 4.320 0.000 0.000 0.256 576 A C 1.543 179.105 177.584 -0.036 0.000 1.086 576 A CA 0.396 52.410 52.037 -0.038 0.000 0.763 576 A CB -1.573 17.407 19.000 -0.033 0.000 1.024 576 A HN 2.607 nan 8.150 nan 0.000 0.502 577 G N 1.915 110.693 108.800 -0.037 0.000 2.166 577 G HA2 -0.027 3.933 3.960 0.000 0.000 0.260 577 G HA3 -0.027 3.933 3.960 0.000 0.000 0.260 577 G C 0.789 175.662 174.900 -0.044 0.000 0.986 577 G CA 0.872 45.950 45.100 -0.036 0.000 0.683 577 G HN 1.808 nan 8.290 nan 0.000 0.527 578 G N -1.178 107.591 108.800 -0.052 0.000 2.511 578 G HA2 0.611 4.572 3.960 0.000 0.000 0.316 578 G HA3 0.611 4.572 3.960 0.000 0.000 0.316 578 G C 0.083 174.928 174.900 -0.092 0.000 1.210 578 G CA -0.474 44.589 45.100 -0.062 0.000 0.969 578 G HN 0.234 nan 8.290 nan 0.000 0.492 579 E N 0.032 120.157 120.200 -0.124 0.000 2.391 579 E HA 0.116 4.466 4.350 0.000 0.000 0.255 579 E C -0.467 176.060 176.600 -0.123 0.000 1.187 579 E CA -0.212 56.059 56.400 -0.214 0.000 0.941 579 E CB 0.582 30.090 29.700 -0.320 0.000 1.010 579 E HN 0.319 nan 8.360 nan 0.000 0.458 580 D N 1.105 121.434 120.400 -0.118 0.000 2.362 580 D HA 0.101 4.741 4.640 0.000 0.000 0.242 580 D C 0.250 176.566 176.300 0.027 0.000 1.132 580 D CA 0.186 54.161 54.000 -0.043 0.000 0.907 580 D CB 0.617 41.398 40.800 -0.033 0.000 1.195 580 D HN 0.323 nan 8.370 nan 0.000 0.429 581 E N -0.961 119.258 120.200 0.033 0.000 2.336 581 E HA 0.672 5.022 4.350 0.000 0.000 0.267 581 E C -1.145 175.469 176.600 0.023 0.000 0.906 581 E CA -0.935 55.516 56.400 0.084 0.000 0.781 581 E CB 1.542 31.328 29.700 0.144 0.000 1.261 581 E HN 0.096 nan 8.360 nan 0.000 0.436 582 T N 1.039 115.598 114.554 0.008 0.000 2.824 582 T HA 0.371 4.721 4.350 0.000 0.000 0.282 582 T C -0.798 173.736 174.700 -0.276 0.000 0.993 582 T CA -0.658 61.382 62.100 -0.099 0.000 0.967 582 T CB 1.434 70.283 68.868 -0.030 0.000 0.960 582 T HN 0.344 nan 8.240 nan 0.000 0.441 583 V N 4.778 124.475 119.914 -0.361 0.000 2.347 583 V HA 0.444 4.565 4.120 0.000 0.000 0.280 583 V C -0.049 175.845 176.094 -0.333 0.000 1.021 583 V CA -0.770 61.184 62.300 -0.577 0.000 0.847 583 V CB 0.874 32.407 31.823 -0.484 0.000 0.990 583 V HN 0.791 nan 8.190 nan 0.000 0.444 584 I N 4.461 124.835 120.570 -0.327 0.000 2.304 584 I HA 0.405 4.575 4.170 0.000 0.000 0.291 584 I C 1.266 177.217 176.117 -0.278 0.000 1.018 584 I CA -0.107 61.078 61.300 -0.191 0.000 1.260 584 I CB 1.123 39.082 38.000 -0.069 0.000 1.390 584 I HN 0.717 nan 8.210 nan 0.000 0.475 585 G N 4.722 113.434 108.800 -0.147 0.000 2.414 585 G HA2 -0.070 3.891 3.960 0.000 0.000 0.236 585 G HA3 -0.070 3.891 3.960 0.000 0.000 0.236 585 G C 0.391 175.256 174.900 -0.059 0.000 1.293 585 G CA -0.241 44.787 45.100 -0.121 0.000 0.869 585 G HN 0.843 nan 8.290 nan 0.000 0.556 586 W N 0.087 121.417 121.300 0.050 0.000 2.350 586 W HA -0.083 4.577 4.660 0.000 0.000 0.289 586 W C 1.973 178.513 176.519 0.035 0.000 1.215 586 W CA 0.660 58.028 57.345 0.038 0.000 1.236 586 W CB 0.226 29.704 29.460 0.029 0.000 1.130 586 W HN 0.476 nan 8.180 nan 0.000 0.541 587 D N -0.489 120.067 120.400 0.259 0.000 2.219 587 D HA -0.180 4.461 4.640 0.000 0.000 0.205 587 D C 1.945 178.378 176.300 0.220 0.000 0.970 587 D CA 1.396 55.509 54.000 0.188 0.000 0.851 587 D CB -0.471 40.416 40.800 0.144 0.000 0.943 587 D HN 0.269 nan 8.370 nan 0.000 0.488 588 M N 0.103 119.825 119.600 0.203 0.000 2.357 588 M HA 0.057 4.537 4.480 0.000 0.000 0.266 588 M C 1.974 178.405 176.300 0.219 0.000 1.095 588 M CA 0.802 56.240 55.300 0.231 0.000 1.156 588 M CB 0.254 32.948 32.600 0.157 0.000 1.365 588 M HN -0.054 nan 8.290 nan 0.000 0.447 589 A N 1.176 124.100 122.820 0.174 0.000 1.972 589 A HA -0.134 4.186 4.320 0.000 0.000 0.219 589 A C 1.802 179.486 177.584 0.166 0.000 1.169 589 A CA 1.703 53.843 52.037 0.172 0.000 0.635 589 A CB -1.181 17.932 19.000 0.189 0.000 0.810 589 A HN 0.772 nan 8.150 nan 0.000 0.446 590 I N -4.194 116.439 120.570 0.105 0.000 3.176 590 I HA -0.079 4.092 4.170 0.000 0.000 0.275 590 I C 1.530 177.519 176.117 -0.213 0.000 1.298 590 I CA 1.247 62.516 61.300 -0.051 0.000 1.445 590 I CB -0.628 37.300 38.000 -0.119 0.000 1.075 590 I HN 0.250 nan 8.210 nan 0.000 0.482 591 H N 1.133 120.272 119.070 0.115 0.000 2.551 591 H HA 0.523 5.079 4.556 0.000 0.000 0.271 591 H C 1.126 176.562 175.328 0.180 0.000 0.984 591 H CA 0.292 56.410 56.048 0.118 0.000 1.164 591 H CB 0.192 29.994 29.762 0.066 0.000 1.437 591 H HN 0.483 nan 8.280 nan 0.000 0.550 592 A N 1.143 124.097 122.820 0.222 0.000 2.257 592 A HA 0.499 4.819 4.320 0.000 0.000 0.289 592 A C -0.108 177.545 177.584 0.114 0.000 1.095 592 A CA -0.294 51.858 52.037 0.193 0.000 0.836 592 A CB 1.196 20.276 19.000 0.133 0.000 1.111 592 A HN 0.092 nan 8.150 nan 0.000 0.497 593 V N -0.757 119.172 119.914 0.026 0.000 2.925 593 V HA 0.768 4.888 4.120 0.000 0.000 0.311 593 V C -0.452 175.641 176.094 -0.001 0.000 1.104 593 V CA 0.184 62.424 62.300 -0.100 0.000 0.954 593 V CB 1.905 33.441 31.823 -0.479 0.000 1.022 593 V HN 1.708 nan 8.190 nan 0.000 0.427 594 A N 6.571 129.397 122.820 0.011 0.000 2.393 594 A HA 0.946 5.266 4.320 0.000 0.000 0.306 594 A C -0.957 176.668 177.584 0.068 0.000 1.050 594 A CA -0.547 51.549 52.037 0.099 0.000 0.724 594 A CB 1.442 20.502 19.000 0.100 0.000 1.248 594 A HN 1.464 nan 8.150 nan 0.000 0.424 595 I N -0.892 119.763 120.570 0.142 0.000 2.934 595 I HA 0.732 4.902 4.170 0.000 0.000 0.306 595 I C -2.994 173.220 176.117 0.162 0.000 1.110 595 I CA -3.122 58.232 61.300 0.090 0.000 1.019 595 I CB 2.396 40.446 38.000 0.083 0.000 1.227 595 I HN 0.231 nan 8.210 nan 0.000 0.434 596 P HA 0.069 nan 4.420 nan 0.000 0.268 596 P C -0.363 177.189 177.300 0.419 0.000 1.204 596 P CA 0.123 63.276 63.100 0.088 0.000 0.768 596 P CB 0.842 32.358 31.700 -0.307 0.000 0.842 597 S N 1.539 117.498 115.700 0.432 0.000 2.624 597 S HA 0.209 4.680 4.470 0.000 0.000 0.263 597 S C 1.259 176.160 174.600 0.501 0.000 1.287 597 S CA 0.219 58.713 58.200 0.491 0.000 0.990 597 S CB 0.013 63.499 63.200 0.477 0.000 0.950 597 S HN 0.570 nan 8.310 nan 0.000 0.561 598 T N 0.566 115.338 114.554 0.365 0.000 3.086 598 T HA 0.334 4.684 4.350 0.000 0.000 0.250 598 T C 0.540 175.343 174.700 0.171 0.000 1.074 598 T CA -0.121 62.135 62.100 0.260 0.000 0.988 598 T CB -0.625 68.311 68.868 0.114 0.000 0.988 598 T HN 0.493 nan 8.240 nan 0.000 0.530 599 I N 3.356 124.016 120.570 0.151 0.000 2.452 599 I HA 0.263 4.433 4.170 0.000 0.000 0.287 599 I C -2.184 173.996 176.117 0.104 0.000 1.079 599 I CA -2.484 58.853 61.300 0.062 0.000 1.387 599 I CB 0.666 38.636 38.000 -0.049 0.000 1.404 599 I HN 0.003 nan 8.210 nan 0.000 0.522 600 P HA 0.021 nan 4.420 nan 0.000 0.267 600 P C 0.272 177.683 177.300 0.186 0.000 1.200 600 P CA -0.054 63.118 63.100 0.119 0.000 0.772 600 P CB 0.521 32.273 31.700 0.087 0.000 0.855 601 G N 1.467 110.366 108.800 0.165 0.000 2.563 601 G HA2 0.119 4.079 3.960 0.000 0.000 0.283 601 G HA3 0.119 4.079 3.960 0.000 0.000 0.283 601 G C 0.082 175.030 174.900 0.080 0.000 1.309 601 G CA -0.223 44.956 45.100 0.133 0.000 1.022 601 G HN 0.447 nan 8.290 nan 0.000 0.501 602 N N -1.134 117.437 118.700 -0.215 0.000 2.514 602 N HA 0.686 5.426 4.740 0.000 0.000 0.299 602 N C -0.123 175.337 175.510 -0.083 0.000 1.292 602 N CA 0.185 53.053 53.050 -0.303 0.000 0.963 602 N CB 1.556 39.677 38.487 -0.610 0.000 1.124 602 N HN 0.727 nan 8.380 nan 0.000 0.580 603 A N -1.056 121.727 122.820 -0.060 0.000 2.569 603 A HA 0.325 4.645 4.320 0.000 0.000 0.290 603 A C 0.081 177.680 177.584 0.026 0.000 1.136 603 A CA -0.580 51.468 52.037 0.018 0.000 0.710 603 A CB 0.057 19.084 19.000 0.044 0.000 1.303 603 A HN 0.692 nan 8.150 nan 0.000 0.413 604 Y N 0.434 120.721 120.300 -0.021 0.000 2.081 604 Y HA -0.147 4.404 4.550 0.000 0.000 0.280 604 Y C 1.168 177.054 175.900 -0.023 0.000 1.163 604 Y CA 2.602 60.690 58.100 -0.020 0.000 1.135 604 Y CB 0.081 38.534 38.460 -0.012 0.000 0.970 604 Y HN 0.697 nan 8.280 nan 0.000 0.498 605 E N 2.110 122.403 120.200 0.155 0.000 2.220 605 E HA 0.028 4.378 4.350 0.000 0.000 0.272 605 E C -0.773 175.821 176.600 -0.010 0.000 1.099 605 E CA -0.172 56.258 56.400 0.049 0.000 0.907 605 E CB 0.236 29.989 29.700 0.088 0.000 1.022 605 E HN 0.383 nan 8.360 nan 0.000 0.428 606 E N 3.515 123.678 120.200 -0.063 0.000 2.384 606 E HA 0.130 4.480 4.350 0.000 0.000 0.266 606 E C -0.487 176.107 176.600 -0.010 0.000 1.012 606 E CA 0.128 56.489 56.400 -0.064 0.000 0.901 606 E CB 0.791 30.433 29.700 -0.096 0.000 0.967 606 E HN 0.439 nan 8.360 nan 0.000 0.435 607 L N 1.712 122.951 121.223 0.027 0.000 2.322 607 L HA 0.588 4.928 4.340 0.000 0.000 0.269 607 L C 0.039 176.989 176.870 0.134 0.000 1.012 607 L CA -1.176 53.710 54.840 0.077 0.000 0.815 607 L CB 1.514 43.633 42.059 0.101 0.000 1.295 607 L HN 0.512 nan 8.230 nan 0.000 0.438 608 A N 1.599 124.459 122.820 0.066 0.000 2.407 608 A HA 0.361 4.681 4.320 0.000 0.000 0.248 608 A C -0.227 177.314 177.584 -0.071 0.000 1.082 608 A CA -0.228 51.816 52.037 0.013 0.000 0.785 608 A CB 0.250 19.239 19.000 -0.019 0.000 1.020 608 A HN 0.684 nan 8.150 nan 0.000 0.489 609 I N 0.964 121.380 120.570 -0.256 0.000 2.754 609 I HA 0.019 4.190 4.170 0.000 0.000 0.285 609 I C 0.015 175.967 176.117 -0.275 0.000 1.166 609 I CA -0.098 60.866 61.300 -0.560 0.000 1.417 609 I CB 0.556 38.198 38.000 -0.597 0.000 1.382 609 I HN 0.647 nan 8.210 nan 0.000 0.588 610 D N 6.150 126.400 120.400 -0.249 0.000 2.402 610 D HA 0.011 4.651 4.640 0.000 0.000 0.235 610 D C 0.739 176.961 176.300 -0.130 0.000 1.226 610 D CA 0.156 54.074 54.000 -0.136 0.000 0.918 610 D CB 1.048 41.796 40.800 -0.088 0.000 1.043 610 D HN 0.583 nan 8.370 nan 0.000 0.506 611 E N 2.326 122.461 120.200 -0.108 0.000 2.110 611 E HA -0.163 4.187 4.350 0.000 0.000 0.193 611 E C 1.193 177.742 176.600 -0.085 0.000 0.988 611 E CA 1.116 57.459 56.400 -0.095 0.000 0.804 611 E CB 0.358 30.013 29.700 -0.075 0.000 0.745 611 E HN 0.367 nan 8.360 nan 0.000 0.458 612 E N -0.188 119.966 120.200 -0.077 0.000 2.216 612 E HA -0.058 4.292 4.350 0.000 0.000 0.192 612 E C 1.872 178.418 176.600 -0.090 0.000 0.988 612 E CA 0.828 57.181 56.400 -0.079 0.000 0.834 612 E CB -0.233 29.426 29.700 -0.068 0.000 0.772 612 E HN 0.348 nan 8.360 nan 0.000 0.479 613 A N 1.042 123.813 122.820 -0.081 0.000 1.883 613 A HA -0.163 4.157 4.320 0.000 0.000 0.217 613 A C 2.585 180.122 177.584 -0.079 0.000 1.186 613 A CA 1.620 53.614 52.037 -0.072 0.000 0.624 613 A CB -0.782 18.189 19.000 -0.049 0.000 0.822 613 A HN 0.139 nan 8.150 nan 0.000 0.444 614 V N -0.079 119.778 119.914 -0.094 0.000 2.287 614 V HA -0.291 3.829 4.120 0.000 0.000 0.248 614 V C 3.057 179.106 176.094 -0.074 0.000 1.053 614 V CA 2.124 64.370 62.300 -0.090 0.000 1.027 614 V CB -1.330 30.426 31.823 -0.113 0.000 0.646 614 V HN 0.635 nan 8.190 nan 0.000 0.447 615 A N 0.043 122.809 122.820 -0.090 0.000 1.933 615 A HA -0.267 4.053 4.320 0.000 0.000 0.218 615 A C 2.256 179.757 177.584 -0.138 0.000 1.175 615 A CA 2.223 54.203 52.037 -0.096 0.000 0.628 615 A CB -0.493 18.453 19.000 -0.090 0.000 0.814 615 A HN 0.535 nan 8.150 nan 0.000 0.444 616 K N 0.105 120.392 120.400 -0.188 0.000 2.097 616 K HA -0.128 4.192 4.320 0.000 0.000 0.206 616 K C 1.674 178.032 176.600 -0.404 0.000 1.049 616 K CA 1.860 57.943 56.287 -0.341 0.000 0.933 616 K CB -0.159 32.103 32.500 -0.396 0.000 0.717 616 K HN 0.536 nan 8.250 nan 0.000 0.442 617 E N -0.349 119.737 120.200 -0.191 0.000 2.465 617 E HA -0.046 4.304 4.350 0.000 0.000 0.191 617 E C 1.444 178.017 176.600 -0.045 0.000 1.053 617 E CA -0.131 56.249 56.400 -0.033 0.000 0.869 617 E CB 0.254 30.010 29.700 0.094 0.000 0.977 617 E HN 0.383 nan 8.360 nan 0.000 0.483 618 Q N -0.114 119.638 119.800 -0.079 0.000 2.172 618 Q HA -0.125 4.215 4.340 0.000 0.000 0.200 618 Q C 2.014 177.970 176.000 -0.073 0.000 0.964 618 Q CA 1.523 57.290 55.803 -0.060 0.000 0.855 618 Q CB 0.172 28.874 28.738 -0.060 0.000 0.918 618 Q HN 0.269 nan 8.270 nan 0.000 0.444 619 S N 0.693 116.347 115.700 -0.078 0.000 2.419 619 S HA -0.164 4.307 4.470 0.000 0.000 0.235 619 S C 1.686 176.232 174.600 -0.091 0.000 1.019 619 S CA 1.310 59.475 58.200 -0.059 0.000 0.982 619 S CB -0.569 62.611 63.200 -0.034 0.000 0.789 619 S HN 0.621 nan 8.310 nan 0.000 0.490 620 I N -2.338 118.125 120.570 -0.179 0.000 3.974 620 I HA 0.464 4.634 4.170 0.000 0.000 0.334 620 I C 0.239 176.073 176.117 -0.472 0.000 1.437 620 I CA -0.366 60.695 61.300 -0.398 0.000 1.113 620 I CB 0.600 38.150 38.000 -0.750 0.000 1.063 620 I HN 0.020 nan 8.210 nan 0.000 0.400 621 S N 1.030 116.547 115.700 -0.305 0.000 2.941 621 S HA 0.138 4.609 4.470 0.000 0.000 0.251 621 S C 0.705 175.324 174.600 0.032 0.000 1.029 621 S CA -0.123 57.864 58.200 -0.356 0.000 1.062 621 S CB 0.164 63.193 63.200 -0.285 0.000 0.977 621 S HN 0.682 nan 8.310 nan 0.000 0.552 622 T N 0.866 115.450 114.554 0.049 0.000 2.898 622 T HA 0.327 4.678 4.350 0.000 0.000 0.301 622 T C 0.087 174.881 174.700 0.157 0.000 1.049 622 T CA -0.357 61.799 62.100 0.094 0.000 1.095 622 T CB 0.274 69.175 68.868 0.054 0.000 0.976 622 T HN 0.141 nan 8.240 nan 0.000 0.539 623 K N 3.211 123.695 120.400 0.139 0.000 2.469 623 K HA 0.185 4.506 4.320 0.000 0.000 0.274 623 K C -1.888 174.689 176.600 -0.038 0.000 0.983 623 K CA -1.107 55.252 56.287 0.120 0.000 0.974 623 K CB -0.022 32.622 32.500 0.240 0.000 0.913 623 K HN 0.597 nan 8.250 nan 0.000 0.493 624 P HA 0.131 nan 4.420 nan 0.000 0.274 624 P C -2.617 174.375 177.300 -0.513 0.000 1.256 624 P CA -1.426 61.446 63.100 -0.380 0.000 0.795 624 P CB -0.232 31.122 31.700 -0.578 0.000 1.038 625 P HA 0.158 nan 4.420 nan 0.000 0.276 625 P C -1.056 176.031 177.300 -0.355 0.000 1.230 625 P CA 0.355 63.292 63.100 -0.271 0.000 0.776 625 P CB 0.133 31.745 31.700 -0.146 0.000 0.888 626 Y N 1.156 121.499 120.300 0.071 0.000 2.420 626 Y HA 0.299 4.849 4.550 0.000 0.000 0.334 626 Y C 1.142 177.058 175.900 0.026 0.000 1.094 626 Y CA -0.682 57.466 58.100 0.080 0.000 1.126 626 Y CB 1.306 39.803 38.460 0.061 0.000 1.217 626 Y HN 0.080 nan 8.280 nan 0.000 0.462 627 K N 4.025 124.517 120.400 0.153 0.000 2.273 627 K HA 0.204 4.524 4.320 0.000 0.000 0.287 627 K C -0.458 176.228 176.600 0.144 0.000 1.089 627 K CA -0.112 56.238 56.287 0.105 0.000 0.909 627 K CB -0.063 32.463 32.500 0.044 0.000 1.123 627 K HN 0.924 nan 8.250 nan 0.000 0.473 628 E N 0.910 121.189 120.200 0.132 0.000 2.429 628 E HA 0.281 4.631 4.350 0.000 0.000 0.280 628 E C -0.822 175.831 176.600 0.089 0.000 1.068 628 E CA -1.148 55.319 56.400 0.112 0.000 0.837 628 E CB 1.012 30.768 29.700 0.093 0.000 1.357 628 E HN 0.077 nan 8.360 nan 0.000 0.455 629 R N 1.709 122.251 120.500 0.070 0.000 2.446 629 R HA 0.114 4.454 4.340 0.000 0.000 0.314 629 R C -0.620 175.711 176.300 0.051 0.000 1.003 629 R CA 0.673 56.805 56.100 0.053 0.000 1.018 629 R CB -0.130 30.193 30.300 0.037 0.000 0.945 629 R HN 0.753 nan 8.270 nan 0.000 0.419 630 K N 0.000 120.430 120.400 0.049 0.000 2.780 630 K HA 0.000 4.320 4.320 0.000 0.000 0.191 630 K CA 0.000 56.315 56.287 0.047 0.000 0.838 630 K CB 0.000 32.537 32.500 0.062 0.000 1.064 630 K HN 0.000 nan 8.250 nan 0.000 0.543