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 2fy2_1_A DATA FIRST_RESID 8 DATA SEQUENCE SEESGLPKLP VPPLQQTLAT YLQCMRHLVS EEQFRKSQAI VQQFGAPGGL DATA SEQUENCE GETLQQKLLE RQEKTANWVS EYWLNDMYLN NRLALPVNSS PAVIFARQHF DATA SEQUENCE PGTDDQLRFA ASLISGVLSY KALLDSHSIP TXXXXXXXXG QPLCMKQYYG DATA SEQUENCE LFSSYRLPGH TQDTLVAQXX XXMPEPEHVI VACCNQFFVL DVVINFRRLS DATA SEQUENCE EGDLFTQLRK IVKMASNAAA RLPPIGLLTS DGRSEWAEAR TVLVKDSTNR DATA SEQUENCE DSLDMIERCI CLVCLDAPGG VELSDTHRAL QLLHGGGYSK NGANRWYDKS DATA SEQUENCE LQFVVGRDGT CGVVCEHSPF DGIVLVQCTE HLLKHMTQPX XELVRSPMVP DATA SEQUENCE XLPAPRRLRW KCSPEIQGHL ASSAEKLQRI VKNLDFIVYK FDNYGKTFIK DATA SEQUENCE KQKCSPDAFI QVALQLAFYR LHRRLVPTYE SASIRRFQEG RVDNIRSATP DATA SEQUENCE EALAFVRAVT DHKAAVPASE KLLLLKDAIR AQTAYTVMAI TGMAIDNHLL DATA SEQUENCE ALRELARAMC AALPEMFMDE TYLMSNRFVL STSQVPTTTE MFCCYGPVVP DATA SEQUENCE NGYGACYNPQ PETILFCISS FHSCAATSSS KFAKAVEESL IDMRDLCSLL 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 8 S HA 0.000 nan 4.470 nan 0.000 0.327 8 S C 0.000 174.587 174.600 -0.021 0.000 1.055 8 S CA 0.000 58.192 58.200 -0.014 0.000 1.107 8 S CB 0.000 63.193 63.200 -0.012 0.000 0.593 9 E N 1.328 121.512 120.200 -0.025 0.000 2.516 9 E HA 0.091 4.441 4.350 -0.000 0.000 0.199 9 E C -0.208 176.372 176.600 -0.033 0.000 1.069 9 E CA 0.395 56.773 56.400 -0.038 0.000 0.876 9 E CB -0.167 29.509 29.700 -0.039 0.000 0.843 9 E HN 0.465 nan 8.360 nan 0.000 0.530 10 E N 1.672 121.860 120.200 -0.020 0.000 2.338 10 E HA 0.118 4.468 4.350 -0.000 0.000 0.272 10 E C -0.371 176.223 176.600 -0.011 0.000 1.029 10 E CA -0.246 56.146 56.400 -0.012 0.000 0.872 10 E CB 1.169 30.867 29.700 -0.003 0.000 1.015 10 E HN -0.109 nan 8.360 nan 0.000 0.417 11 S N 1.551 117.247 115.700 -0.006 0.000 2.537 11 S HA 0.080 4.550 4.470 -0.000 0.000 0.286 11 S C 1.076 175.679 174.600 0.006 0.000 1.299 11 S CA -0.063 58.136 58.200 -0.002 0.000 1.067 11 S CB 0.540 63.744 63.200 0.007 0.000 0.864 11 S HN 0.666 nan 8.310 nan 0.000 0.494 12 G N 4.602 113.403 108.800 0.002 0.000 2.985 12 G HA2 0.194 4.154 3.960 -0.000 0.000 0.209 12 G HA3 0.194 4.154 3.960 -0.000 0.000 0.209 12 G C 0.364 175.270 174.900 0.010 0.000 1.165 12 G CA -0.233 44.870 45.100 0.006 0.000 0.776 12 G HN 0.632 nan 8.290 nan 0.000 0.541 13 L N 1.375 122.606 121.223 0.012 0.000 2.464 13 L HA 0.290 4.630 4.340 -0.000 0.000 0.264 13 L C -1.531 175.371 176.870 0.053 0.000 1.199 13 L CA -1.738 53.108 54.840 0.012 0.000 0.818 13 L CB 0.848 42.909 42.059 0.004 0.000 1.102 13 L HN -0.001 nan 8.230 nan 0.000 0.473 14 P HA 0.185 nan 4.420 nan 0.000 0.279 14 P C -1.304 176.178 177.300 0.302 0.000 1.252 14 P CA -0.604 62.609 63.100 0.187 0.000 0.811 14 P CB 0.984 32.825 31.700 0.235 0.000 1.035 15 K N 0.828 121.374 120.400 0.243 0.000 2.154 15 K HA 0.243 4.563 4.320 -0.000 0.000 0.264 15 K C 0.148 176.817 176.600 0.116 0.000 1.008 15 K CA -0.914 55.485 56.287 0.187 0.000 0.937 15 K CB 0.278 32.857 32.500 0.132 0.000 1.002 15 K HN 0.333 nan 8.250 nan 0.000 0.469 16 L N 5.455 126.653 121.223 -0.041 0.000 2.584 16 L HA 0.028 4.367 4.340 -0.000 0.000 0.272 16 L C -2.178 174.630 176.870 -0.104 0.000 1.195 16 L CA -0.890 53.691 54.840 -0.431 0.000 0.920 16 L CB -0.118 41.649 42.059 -0.487 0.000 1.173 16 L HN 0.441 nan 8.230 nan 0.000 0.489 17 P HA 0.040 nan 4.420 nan 0.000 0.271 17 P C -0.977 176.332 177.300 0.015 0.000 1.216 17 P CA -0.136 62.878 63.100 -0.143 0.000 0.771 17 P CB 0.869 32.419 31.700 -0.252 0.000 0.864 18 V N 5.978 125.807 119.914 -0.141 0.000 2.348 18 V HA 0.223 4.342 4.120 -0.000 0.000 0.270 18 V C -1.530 174.358 176.094 -0.344 0.000 1.037 18 V CA -1.651 60.392 62.300 -0.429 0.000 0.872 18 V CB 0.598 32.059 31.823 -0.604 0.000 1.002 18 V HN 0.604 nan 8.190 nan 0.000 0.464 19 P HA 0.239 nan 4.420 nan 0.000 0.272 19 P C -2.700 174.543 177.300 -0.096 0.000 1.223 19 P CA -1.666 61.322 63.100 -0.185 0.000 0.784 19 P CB 0.040 31.705 31.700 -0.057 0.000 0.923 20 P HA -0.003 nan 4.420 nan 0.000 0.271 20 P C 1.027 178.425 177.300 0.163 0.000 1.216 20 P CA -0.283 62.853 63.100 0.061 0.000 0.771 20 P CB 0.585 32.305 31.700 0.032 0.000 0.864 21 L N 3.560 124.870 121.223 0.144 0.000 1.990 21 L HA -0.255 4.085 4.340 -0.000 0.000 0.213 21 L C 2.242 179.162 176.870 0.083 0.000 1.072 21 L CA 2.154 57.069 54.840 0.124 0.000 0.755 21 L CB -1.217 40.859 42.059 0.028 0.000 0.889 21 L HN 0.277 nan 8.230 nan 0.000 0.432 22 Q N -0.532 119.304 119.800 0.059 0.000 2.170 22 Q HA -0.263 4.077 4.340 -0.000 0.000 0.203 22 Q C 2.161 178.210 176.000 0.080 0.000 0.976 22 Q CA 1.820 57.657 55.803 0.057 0.000 0.858 22 Q CB -0.461 28.299 28.738 0.036 0.000 0.907 22 Q HN 0.764 nan 8.270 nan 0.000 0.433 23 Q N 0.013 119.866 119.800 0.089 0.000 2.050 23 Q HA -0.125 4.215 4.340 -0.000 0.000 0.202 23 Q C 1.622 177.697 176.000 0.126 0.000 0.980 23 Q CA 1.739 57.598 55.803 0.094 0.000 0.840 23 Q CB 0.132 28.920 28.738 0.082 0.000 0.898 23 Q HN 0.298 nan 8.270 nan 0.000 0.424 24 T N 1.580 116.230 114.554 0.161 0.000 2.777 24 T HA -0.073 4.277 4.350 -0.000 0.000 0.266 24 T C 1.830 176.637 174.700 0.178 0.000 1.040 24 T CA 1.136 63.344 62.100 0.180 0.000 1.141 24 T CB -0.152 68.816 68.868 0.167 0.000 0.868 24 T HN 0.244 nan 8.240 nan 0.000 0.444 25 L N 0.741 122.051 121.223 0.144 0.000 2.046 25 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 25 L C 3.071 180.074 176.870 0.222 0.000 1.077 25 L CA 1.341 56.298 54.840 0.194 0.000 0.747 25 L CB -0.770 41.378 42.059 0.148 0.000 0.896 25 L HN 0.247 nan 8.230 nan 0.000 0.432 26 A N -0.327 122.589 122.820 0.160 0.000 1.873 26 A HA -0.183 4.137 4.320 -0.000 0.000 0.215 26 A C 2.371 180.054 177.584 0.165 0.000 1.186 26 A CA 2.263 54.385 52.037 0.142 0.000 0.616 26 A CB -0.910 18.153 19.000 0.104 0.000 0.823 26 A HN 0.356 nan 8.150 nan 0.000 0.442 27 T N -1.319 113.339 114.554 0.175 0.000 2.720 27 T HA -0.187 4.163 4.350 -0.000 0.000 0.268 27 T C 1.783 176.639 174.700 0.261 0.000 1.037 27 T CA 1.745 63.959 62.100 0.190 0.000 1.144 27 T CB -0.464 68.502 68.868 0.162 0.000 0.864 27 T HN 0.570 nan 8.240 nan 0.000 0.444 28 Y N 1.959 122.357 120.300 0.164 0.000 2.081 28 Y HA -0.149 4.401 4.550 -0.000 0.000 0.280 28 Y C 2.000 178.008 175.900 0.181 0.000 1.163 28 Y CA 1.160 59.365 58.100 0.175 0.000 1.135 28 Y CB -0.777 37.770 38.460 0.146 0.000 0.970 28 Y HN 0.149 nan 8.280 nan 0.000 0.498 29 L N 0.344 121.552 121.223 -0.025 0.000 2.046 29 L HA -0.242 4.098 4.340 -0.000 0.000 0.208 29 L C 2.772 179.718 176.870 0.128 0.000 1.077 29 L CA 1.821 56.651 54.840 -0.017 0.000 0.747 29 L CB -0.809 41.322 42.059 0.119 0.000 0.896 29 L HN 0.327 nan 8.230 nan 0.000 0.432 30 Q N 0.052 119.936 119.800 0.140 0.000 2.124 30 Q HA -0.228 4.111 4.340 -0.000 0.000 0.202 30 Q C 2.295 178.387 176.000 0.153 0.000 0.977 30 Q CA 2.222 58.108 55.803 0.138 0.000 0.850 30 Q CB -0.398 28.424 28.738 0.140 0.000 0.901 30 Q HN 0.573 nan 8.270 nan 0.000 0.429 31 C N 0.287 119.676 119.300 0.149 0.000 2.440 31 C HA -0.003 4.457 4.460 -0.000 0.000 0.278 31 C C 2.576 177.566 174.990 -0.001 0.000 1.295 31 C CA 0.566 59.681 59.018 0.162 0.000 1.738 31 C CB -0.588 27.277 27.740 0.207 0.000 1.987 31 C HN 0.528 nan 8.230 nan 0.000 0.492 32 M N -0.103 119.438 119.600 -0.098 0.000 2.492 32 M HA 0.072 4.552 4.480 -0.000 0.000 0.255 32 M C 2.080 178.266 176.300 -0.189 0.000 1.139 32 M CA 0.523 55.712 55.300 -0.185 0.000 1.096 32 M CB -1.251 31.220 32.600 -0.215 0.000 1.360 32 M HN 0.412 nan 8.290 nan 0.000 0.480 33 R N 1.302 121.704 120.500 -0.164 0.000 2.133 33 R HA -0.226 4.114 4.340 -0.000 0.000 0.245 33 R C 1.905 178.005 176.300 -0.334 0.000 1.137 33 R CA 2.389 58.160 56.100 -0.547 0.000 0.947 33 R CB -0.495 29.361 30.300 -0.741 0.000 0.865 33 R HN 0.518 nan 8.270 nan 0.000 0.437 34 H N -0.577 118.363 119.070 -0.215 0.000 2.547 34 H HA 0.046 4.602 4.556 -0.000 0.000 0.266 34 H C 1.348 176.646 175.328 -0.050 0.000 0.988 34 H CA 0.400 56.374 56.048 -0.123 0.000 1.147 34 H CB -0.056 29.656 29.762 -0.083 0.000 1.365 34 H HN 0.325 nan 8.280 nan 0.000 0.589 35 L N 1.080 122.079 121.223 -0.373 0.000 2.693 35 L HA 0.204 4.544 4.340 -0.000 0.000 0.235 35 L C 0.295 177.105 176.870 -0.101 0.000 1.127 35 L CA -0.265 54.431 54.840 -0.240 0.000 0.914 35 L CB 0.859 42.732 42.059 -0.311 0.000 1.193 35 L HN 0.139 nan 8.230 nan 0.000 0.502 36 V N -4.958 114.916 119.914 -0.067 0.000 3.160 36 V HA 0.638 4.758 4.120 -0.000 0.000 0.310 36 V C 0.218 176.324 176.094 0.020 0.000 1.181 36 V CA -0.886 61.411 62.300 -0.005 0.000 1.047 36 V CB 1.528 33.369 31.823 0.031 0.000 1.068 36 V HN 0.125 nan 8.190 nan 0.000 0.441 37 S N 0.149 115.873 115.700 0.040 0.000 2.580 37 S HA 0.189 4.659 4.470 -0.000 0.000 0.266 37 S C 0.762 175.414 174.600 0.087 0.000 1.354 37 S CA 0.628 58.857 58.200 0.049 0.000 1.008 37 S CB 0.331 63.557 63.200 0.043 0.000 0.898 37 S HN 0.879 nan 8.310 nan 0.000 0.555 38 E N 0.594 120.841 120.200 0.078 0.000 2.072 38 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 38 E C 2.025 178.710 176.600 0.142 0.000 0.985 38 E CA 1.251 57.721 56.400 0.118 0.000 0.801 38 E CB -0.175 29.571 29.700 0.077 0.000 0.750 38 E HN 0.901 nan 8.360 nan 0.000 0.452 39 E N 1.303 121.555 120.200 0.086 0.000 2.051 39 E HA -0.296 4.053 4.350 -0.000 0.000 0.192 39 E C 2.255 178.891 176.600 0.061 0.000 0.991 39 E CA 1.323 57.760 56.400 0.062 0.000 0.799 39 E CB 0.019 29.742 29.700 0.039 0.000 0.748 39 E HN 0.199 nan 8.360 nan 0.000 0.449 40 Q N -0.526 119.317 119.800 0.071 0.000 2.124 40 Q HA -0.196 4.144 4.340 -0.000 0.000 0.202 40 Q C 2.019 178.067 176.000 0.079 0.000 0.977 40 Q CA 1.549 57.388 55.803 0.060 0.000 0.850 40 Q CB -0.268 28.504 28.738 0.057 0.000 0.901 40 Q HN 0.360 nan 8.270 nan 0.000 0.429 41 F N 1.174 121.113 119.950 -0.019 0.000 2.102 41 F HA -0.125 4.402 4.527 -0.000 0.000 0.298 41 F C 2.048 177.837 175.800 -0.018 0.000 1.105 41 F CA 1.587 59.570 58.000 -0.028 0.000 1.239 41 F CB -0.120 38.866 39.000 -0.023 0.000 0.991 41 F HN -0.011 nan 8.300 nan 0.000 0.474 42 R N 0.391 120.869 120.500 -0.037 0.000 2.105 42 R HA -0.180 4.160 4.340 -0.000 0.000 0.239 42 R C 2.188 178.391 176.300 -0.161 0.000 1.135 42 R CA 1.903 57.929 56.100 -0.124 0.000 0.967 42 R CB -0.423 29.876 30.300 -0.002 0.000 0.861 42 R HN 0.327 nan 8.270 nan 0.000 0.442 43 K N -0.019 120.322 120.400 -0.100 0.000 2.057 43 K HA -0.011 4.309 4.320 -0.000 0.000 0.206 43 K C 2.226 178.754 176.600 -0.120 0.000 1.050 43 K CA 1.356 57.592 56.287 -0.084 0.000 0.935 43 K CB 0.013 32.488 32.500 -0.040 0.000 0.715 43 K HN 0.012 nan 8.250 nan 0.000 0.439 44 S N 1.421 117.025 115.700 -0.159 0.000 2.402 44 S HA -0.139 4.331 4.470 -0.000 0.000 0.229 44 S C 1.891 176.350 174.600 -0.235 0.000 1.021 44 S CA 1.046 59.150 58.200 -0.160 0.000 0.974 44 S CB -0.093 63.026 63.200 -0.135 0.000 0.800 44 S HN 0.302 nan 8.310 nan 0.000 0.484 45 Q N 0.813 120.366 119.800 -0.413 0.000 2.050 45 Q HA -0.089 4.251 4.340 -0.000 0.000 0.202 45 Q C 2.522 178.414 176.000 -0.180 0.000 0.980 45 Q CA 1.519 57.096 55.803 -0.376 0.000 0.840 45 Q CB -0.356 28.093 28.738 -0.482 0.000 0.898 45 Q HN 0.607 nan 8.270 nan 0.000 0.424 46 A N 0.739 123.471 122.820 -0.147 0.000 1.898 46 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 46 A C 2.021 179.570 177.584 -0.059 0.000 1.181 46 A CA 0.997 52.984 52.037 -0.084 0.000 0.620 46 A CB -0.578 18.380 19.000 -0.069 0.000 0.819 46 A HN 0.294 nan 8.150 nan 0.000 0.442 47 I N -0.385 120.144 120.570 -0.070 0.000 2.179 47 I HA -0.227 3.943 4.170 -0.000 0.000 0.242 47 I C 2.330 178.429 176.117 -0.029 0.000 1.088 47 I CA 1.285 62.551 61.300 -0.057 0.000 1.357 47 I CB -0.326 37.624 38.000 -0.083 0.000 1.051 47 I HN 0.155 nan 8.210 nan 0.000 0.409 48 V N 0.757 120.655 119.914 -0.027 0.000 2.427 48 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 48 V C 2.451 178.587 176.094 0.069 0.000 1.051 48 V CA 2.040 64.365 62.300 0.040 0.000 1.048 48 V CB -0.752 31.110 31.823 0.065 0.000 0.666 48 V HN 0.499 nan 8.190 nan 0.000 0.456 49 Q N 1.024 120.831 119.800 0.012 0.000 2.061 49 Q HA -0.290 4.050 4.340 -0.000 0.000 0.204 49 Q C 2.230 178.235 176.000 0.009 0.000 0.984 49 Q CA 2.552 58.357 55.803 0.004 0.000 0.846 49 Q CB -0.650 28.075 28.738 -0.022 0.000 0.902 49 Q HN 0.693 nan 8.270 nan 0.000 0.421 50 Q N -1.338 118.469 119.800 0.012 0.000 2.119 50 Q HA -0.150 4.190 4.340 -0.000 0.000 0.201 50 Q C 1.902 177.919 176.000 0.029 0.000 0.972 50 Q CA 1.393 57.202 55.803 0.010 0.000 0.847 50 Q CB -0.286 28.457 28.738 0.007 0.000 0.903 50 Q HN 0.540 nan 8.270 nan 0.000 0.433 51 F N -0.073 119.816 119.950 -0.100 0.000 2.171 51 F HA 0.017 4.544 4.527 -0.000 0.000 0.300 51 F C 1.600 177.341 175.800 -0.098 0.000 1.090 51 F CA 1.774 59.699 58.000 -0.124 0.000 1.293 51 F CB -0.229 38.650 39.000 -0.203 0.000 1.013 51 F HN 0.084 nan 8.300 nan 0.000 0.486 52 G N -0.102 108.634 108.800 -0.107 0.000 3.434 52 G HA2 0.437 4.396 3.960 -0.000 0.000 0.258 52 G HA3 0.437 4.396 3.960 -0.000 0.000 0.258 52 G C 0.204 175.027 174.900 -0.128 0.000 1.128 52 G CA 0.206 45.193 45.100 -0.189 0.000 0.792 52 G HN 0.551 nan 8.290 nan 0.000 0.539 53 A N 0.851 123.604 122.820 -0.111 0.000 2.386 53 A HA 0.613 4.933 4.320 -0.000 0.000 0.248 53 A C -2.202 175.328 177.584 -0.089 0.000 1.082 53 A CA -1.067 50.923 52.037 -0.077 0.000 0.789 53 A CB 0.246 19.212 19.000 -0.057 0.000 1.025 53 A HN 0.145 nan 8.150 nan 0.000 0.490 54 P HA 0.192 nan 4.420 nan 0.000 0.261 54 P C 0.924 178.186 177.300 -0.063 0.000 1.183 54 P CA 2.102 65.167 63.100 -0.059 0.000 0.761 54 P CB 0.393 32.069 31.700 -0.040 0.000 0.785 55 G N 2.229 110.987 108.800 -0.070 0.000 2.153 55 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.252 55 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.252 55 G C 0.617 175.467 174.900 -0.082 0.000 0.994 55 G CA -0.113 44.948 45.100 -0.066 0.000 0.698 55 G HN 0.868 nan 8.290 nan 0.000 0.521 56 G N -1.430 107.300 108.800 -0.117 0.000 2.537 56 G HA2 0.609 4.569 3.960 -0.000 0.000 0.297 56 G HA3 0.609 4.569 3.960 -0.000 0.000 0.297 56 G C 1.117 175.898 174.900 -0.198 0.000 1.310 56 G CA 0.008 45.019 45.100 -0.148 0.000 1.027 56 G HN 0.816 nan 8.290 nan 0.000 0.505 57 L N 0.555 121.640 121.223 -0.228 0.000 2.046 57 L HA 0.084 4.424 4.340 -0.000 0.000 0.208 57 L C 2.736 179.346 176.870 -0.434 0.000 1.077 57 L CA 2.813 57.516 54.840 -0.228 0.000 0.747 57 L CB -0.928 41.074 42.059 -0.096 0.000 0.896 57 L HN 0.590 nan 8.230 nan 0.000 0.432 58 G N -0.890 107.343 108.800 -0.945 0.000 2.491 58 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.218 58 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.218 58 G C 1.417 176.055 174.900 -0.438 0.000 1.180 58 G CA 0.915 45.323 45.100 -1.154 0.000 0.774 58 G HN 0.567 nan 8.290 nan 0.000 0.562 59 E N -0.225 119.788 120.200 -0.313 0.000 2.153 59 E HA -0.084 4.266 4.350 -0.000 0.000 0.194 59 E C 2.720 179.249 176.600 -0.120 0.000 0.988 59 E CA 1.262 57.562 56.400 -0.166 0.000 0.811 59 E CB -0.218 29.404 29.700 -0.130 0.000 0.746 59 E HN 0.349 nan 8.360 nan 0.000 0.466 60 T N 1.656 116.133 114.554 -0.128 0.000 2.737 60 T HA -0.097 4.253 4.350 -0.000 0.000 0.265 60 T C 1.974 176.645 174.700 -0.048 0.000 1.038 60 T CA 0.794 62.849 62.100 -0.075 0.000 1.144 60 T CB -0.146 68.683 68.868 -0.065 0.000 0.866 60 T HN 0.091 nan 8.240 nan 0.000 0.434 61 L N 0.814 122.008 121.223 -0.049 0.000 2.093 61 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 61 L C 2.838 179.711 176.870 0.005 0.000 1.085 61 L CA 1.125 55.971 54.840 0.011 0.000 0.755 61 L CB -0.526 41.583 42.059 0.083 0.000 0.904 61 L HN 0.234 nan 8.230 nan 0.000 0.435 62 Q N -0.142 119.645 119.800 -0.022 0.000 2.124 62 Q HA -0.228 4.112 4.340 -0.000 0.000 0.202 62 Q C 2.265 178.240 176.000 -0.041 0.000 0.977 62 Q CA 1.553 57.347 55.803 -0.013 0.000 0.850 62 Q CB -0.009 28.718 28.738 -0.018 0.000 0.901 62 Q HN 0.345 nan 8.270 nan 0.000 0.429 63 Q N 0.181 119.957 119.800 -0.040 0.000 2.119 63 Q HA -0.096 4.244 4.340 -0.000 0.000 0.201 63 Q C 1.865 177.848 176.000 -0.028 0.000 0.972 63 Q CA 1.413 57.193 55.803 -0.037 0.000 0.847 63 Q CB -0.072 28.647 28.738 -0.032 0.000 0.903 63 Q HN 0.469 nan 8.270 nan 0.000 0.433 64 K N 0.220 120.612 120.400 -0.013 0.000 2.148 64 K HA -0.102 4.217 4.320 -0.000 0.000 0.204 64 K C 2.037 178.639 176.600 0.004 0.000 1.050 64 K CA 0.538 56.829 56.287 0.007 0.000 0.942 64 K CB -0.112 32.405 32.500 0.028 0.000 0.724 64 K HN 0.031 nan 8.250 nan 0.000 0.446 65 L N 1.451 122.658 121.223 -0.026 0.000 2.056 65 L HA -0.099 4.240 4.340 -0.000 0.000 0.207 65 L C 1.802 178.575 176.870 -0.162 0.000 1.078 65 L CA 1.482 56.267 54.840 -0.092 0.000 0.749 65 L CB -0.371 41.586 42.059 -0.171 0.000 0.901 65 L HN 0.106 nan 8.230 nan 0.000 0.433 66 L N -0.701 120.438 121.223 -0.140 0.000 2.083 66 L HA -0.209 4.130 4.340 -0.000 0.000 0.209 66 L C 2.496 179.330 176.870 -0.060 0.000 1.083 66 L CA 1.456 56.221 54.840 -0.125 0.000 0.752 66 L CB -0.548 41.456 42.059 -0.092 0.000 0.899 66 L HN 0.350 nan 8.230 nan 0.000 0.433 67 E N -0.281 119.900 120.200 -0.031 0.000 2.077 67 E HA -0.246 4.103 4.350 -0.000 0.000 0.193 67 E C 2.275 178.885 176.600 0.017 0.000 0.989 67 E CA 0.872 57.270 56.400 -0.003 0.000 0.800 67 E CB -0.108 29.595 29.700 0.005 0.000 0.746 67 E HN 0.319 nan 8.360 nan 0.000 0.452 68 R N 1.190 121.706 120.500 0.027 0.000 2.096 68 R HA -0.204 4.136 4.340 -0.000 0.000 0.235 68 R C 2.428 178.787 176.300 0.099 0.000 1.127 68 R CA 1.648 57.789 56.100 0.069 0.000 0.968 68 R CB -0.079 30.287 30.300 0.109 0.000 0.861 68 R HN 0.183 nan 8.270 nan 0.000 0.440 69 Q N 0.457 120.298 119.800 0.069 0.000 2.096 69 Q HA -0.245 4.094 4.340 -0.000 0.000 0.204 69 Q C 1.880 177.944 176.000 0.107 0.000 0.982 69 Q CA 2.018 57.906 55.803 0.142 0.000 0.850 69 Q CB -0.053 28.693 28.738 0.015 0.000 0.901 69 Q HN 0.460 nan 8.270 nan 0.000 0.422 70 E N 0.139 120.370 120.200 0.053 0.000 2.072 70 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 70 E C 1.628 178.255 176.600 0.045 0.000 0.985 70 E CA 0.987 57.413 56.400 0.043 0.000 0.801 70 E CB 0.146 29.860 29.700 0.024 0.000 0.750 70 E HN 0.279 nan 8.360 nan 0.000 0.452 71 K N 0.180 120.606 120.400 0.045 0.000 2.432 71 K HA -0.016 4.303 4.320 -0.000 0.000 0.196 71 K C 0.750 177.375 176.600 0.042 0.000 1.038 71 K CA 0.972 57.282 56.287 0.039 0.000 0.986 71 K CB 0.299 32.820 32.500 0.034 0.000 0.782 71 K HN 0.208 nan 8.250 nan 0.000 0.485 72 T N -4.393 110.196 114.554 0.058 0.000 2.930 72 T HA 0.545 4.895 4.350 -0.000 0.000 0.290 72 T C 0.925 175.657 174.700 0.054 0.000 1.052 72 T CA -0.650 61.479 62.100 0.048 0.000 1.017 72 T CB 2.027 70.923 68.868 0.047 0.000 1.137 72 T HN -0.076 nan 8.240 nan 0.000 0.511 73 A N 0.924 123.763 122.820 0.030 0.000 1.929 73 A HA 0.195 4.515 4.320 -0.000 0.000 0.216 73 A C 1.129 178.721 177.584 0.014 0.000 1.176 73 A CA 0.744 52.798 52.037 0.027 0.000 0.628 73 A CB -0.525 18.484 19.000 0.014 0.000 0.816 73 A HN 0.839 nan 8.150 nan 0.000 0.444 74 N N -0.427 118.257 118.700 -0.027 0.000 2.533 74 N HA 0.094 4.834 4.740 -0.000 0.000 0.289 74 N C 0.370 175.786 175.510 -0.157 0.000 1.103 74 N CA -0.548 52.413 53.050 -0.148 0.000 0.877 74 N CB 0.616 38.992 38.487 -0.184 0.000 1.419 74 N HN 0.476 nan 8.380 nan 0.000 0.517 75 W N 2.955 124.227 121.300 -0.048 0.000 2.468 75 W HA 0.049 4.708 4.660 -0.000 0.000 0.262 75 W C 0.396 176.857 176.519 -0.097 0.000 1.241 75 W CA 0.159 57.463 57.345 -0.067 0.000 1.232 75 W CB -0.538 28.910 29.460 -0.020 0.000 1.124 75 W HN 0.285 nan 8.180 nan 0.000 0.597 76 V N 0.797 120.447 119.914 -0.440 0.000 3.661 76 V HA -0.077 4.043 4.120 -0.000 0.000 0.271 76 V C 2.280 178.326 176.094 -0.080 0.000 1.315 76 V CA 1.185 63.360 62.300 -0.209 0.000 1.072 76 V CB 0.119 31.647 31.823 -0.492 0.000 0.830 76 V HN 0.019 nan 8.190 nan 0.000 0.443 77 S N 0.432 116.045 115.700 -0.146 0.000 2.378 77 S HA -0.344 4.125 4.470 -0.000 0.000 0.229 77 S C 1.820 176.477 174.600 0.095 0.000 1.052 77 S CA 2.577 60.774 58.200 -0.005 0.000 1.084 77 S CB -0.290 62.886 63.200 -0.040 0.000 0.950 77 S HN 0.814 nan 8.310 nan 0.000 0.440 78 E N -0.121 120.065 120.200 -0.024 0.000 2.028 78 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 78 E C 1.891 178.570 176.600 0.133 0.000 0.988 78 E CA 1.150 57.554 56.400 0.007 0.000 0.799 78 E CB -0.269 29.368 29.700 -0.105 0.000 0.755 78 E HN 0.740 nan 8.360 nan 0.000 0.447 79 Y N -1.089 119.288 120.300 0.128 0.000 2.128 79 Y HA -0.272 4.277 4.550 -0.000 0.000 0.284 79 Y C 2.326 178.294 175.900 0.114 0.000 1.154 79 Y CA 0.768 58.935 58.100 0.112 0.000 1.149 79 Y CB -0.474 38.074 38.460 0.147 0.000 0.976 79 Y HN 0.335 nan 8.280 nan 0.000 0.505 80 W N 0.867 122.270 121.300 0.171 0.000 2.354 80 W HA -0.251 4.409 4.660 -0.001 0.000 0.315 80 W C 2.312 178.874 176.519 0.071 0.000 1.206 80 W CA 1.537 58.935 57.345 0.090 0.000 1.290 80 W CB -0.655 28.832 29.460 0.044 0.000 1.152 80 W HN 0.071 nan 8.180 nan 0.000 0.489 81 L N 1.765 123.118 121.223 0.216 0.000 2.043 81 L HA -0.282 4.057 4.340 -0.000 0.000 0.212 81 L C 1.921 178.743 176.870 -0.080 0.000 1.075 81 L CA 2.334 57.216 54.840 0.069 0.000 0.752 81 L CB -1.277 40.902 42.059 0.202 0.000 0.891 81 L HN -0.002 nan 8.230 nan 0.000 0.432 82 N N -0.330 118.355 118.700 -0.024 0.000 2.109 82 N HA -0.174 4.566 4.740 -0.000 0.000 0.188 82 N C 1.643 177.070 175.510 -0.138 0.000 1.034 82 N CA 1.578 54.602 53.050 -0.043 0.000 0.846 82 N CB -0.478 38.024 38.487 0.026 0.000 1.010 82 N HN 0.489 nan 8.380 nan 0.000 0.425 83 D N 0.114 120.419 120.400 -0.159 0.000 2.117 83 D HA -0.120 4.520 4.640 -0.000 0.000 0.197 83 D C 1.887 177.952 176.300 -0.392 0.000 0.987 83 D CA 0.939 54.811 54.000 -0.214 0.000 0.829 83 D CB 0.071 40.786 40.800 -0.142 0.000 0.961 83 D HN 0.017 nan 8.370 nan 0.000 0.460 84 M N -1.540 117.647 119.600 -0.690 0.000 2.193 84 M HA 0.033 4.513 4.480 -0.000 0.000 0.265 84 M C 0.655 176.287 176.300 -1.113 0.000 1.071 84 M CA 1.521 56.180 55.300 -1.068 0.000 1.140 84 M CB -0.012 31.488 32.600 -1.833 0.000 1.369 84 M HN 0.202 nan 8.290 nan 0.000 0.423 85 Y N -2.416 117.624 120.300 -0.434 0.000 3.011 85 Y HA 0.251 4.801 4.550 -0.000 0.000 0.231 85 Y C 1.709 177.495 175.900 -0.189 0.000 0.983 85 Y CA -0.152 57.774 58.100 -0.289 0.000 1.429 85 Y CB -0.169 38.124 38.460 -0.278 0.000 1.491 85 Y HN -0.163 nan 8.280 nan 0.000 0.444 86 L N 0.830 122.065 121.223 0.020 0.000 2.129 86 L HA -0.264 4.076 4.340 -0.000 0.000 0.212 86 L C 1.312 178.161 176.870 -0.035 0.000 1.087 86 L CA 1.455 56.294 54.840 -0.003 0.000 0.757 86 L CB -0.518 41.545 42.059 0.006 0.000 0.896 86 L HN 0.387 nan 8.230 nan 0.000 0.434 87 N N -0.494 118.164 118.700 -0.070 0.000 2.416 87 N HA -0.063 4.677 4.740 -0.000 0.000 0.177 87 N C 0.769 176.225 175.510 -0.090 0.000 1.036 87 N CA 0.267 53.270 53.050 -0.078 0.000 0.901 87 N CB -0.424 38.009 38.487 -0.090 0.000 0.976 87 N HN 0.225 nan 8.380 nan 0.000 0.444 88 N N 2.030 120.669 118.700 -0.102 0.000 2.447 88 N HA -0.048 4.692 4.740 -0.000 0.000 0.263 88 N C 0.722 176.187 175.510 -0.076 0.000 1.226 88 N CA 0.121 53.110 53.050 -0.102 0.000 0.906 88 N CB 0.561 38.981 38.487 -0.113 0.000 1.060 88 N HN -0.042 nan 8.380 nan 0.000 0.468 89 R N 2.755 123.206 120.500 -0.082 0.000 2.246 89 R HA 0.212 4.552 4.340 -0.000 0.000 0.199 89 R C 0.321 176.580 176.300 -0.067 0.000 0.984 89 R CA -0.041 56.014 56.100 -0.074 0.000 1.015 89 R CB -0.563 29.685 30.300 -0.088 0.000 0.930 89 R HN 0.539 nan 8.270 nan 0.000 0.475 90 L N 1.384 122.562 121.223 -0.074 0.000 2.506 90 L HA 0.057 4.396 4.340 -0.000 0.000 0.281 90 L C 0.704 177.530 176.870 -0.073 0.000 1.228 90 L CA -0.287 54.507 54.840 -0.077 0.000 0.850 90 L CB 0.140 42.154 42.059 -0.074 0.000 1.110 90 L HN 0.079 nan 8.230 nan 0.000 0.496 91 A N 3.444 126.209 122.820 -0.092 0.000 2.498 91 A HA 0.156 4.476 4.320 -0.000 0.000 0.239 91 A C 1.174 178.672 177.584 -0.143 0.000 1.068 91 A CA -0.260 51.699 52.037 -0.129 0.000 0.766 91 A CB 0.181 19.085 19.000 -0.161 0.000 1.003 91 A HN 0.837 nan 8.150 nan 0.000 0.497 92 L N 1.834 122.941 121.223 -0.192 0.000 2.079 92 L HA -0.047 4.293 4.340 -0.000 0.000 0.210 92 L C -1.382 175.369 176.870 -0.199 0.000 1.081 92 L CA 0.692 55.431 54.840 -0.169 0.000 0.752 92 L CB -1.513 40.453 42.059 -0.153 0.000 0.896 92 L HN 0.427 nan 8.230 nan 0.000 0.433 93 P HA 0.061 nan 4.420 nan 0.000 0.264 93 P C 0.777 178.046 177.300 -0.052 0.000 1.193 93 P CA 0.685 63.628 63.100 -0.262 0.000 0.763 93 P CB 1.230 32.701 31.700 -0.381 0.000 0.810 94 V N 1.569 121.498 119.914 0.025 0.000 0.489 94 V HA -0.432 3.688 4.120 -0.000 0.000 0.092 94 V C 2.075 178.241 176.094 0.120 0.000 2.367 94 V CA 2.494 64.845 62.300 0.086 0.000 3.630 94 V CB -1.616 30.303 31.823 0.161 0.000 0.914 94 V HN 0.645 nan 8.190 nan 0.000 0.957 95 N N -0.977 117.783 118.700 0.100 0.000 2.188 95 N HA -0.084 4.655 4.740 -0.000 0.000 0.184 95 N C 1.763 177.312 175.510 0.066 0.000 1.018 95 N CA 2.075 55.189 53.050 0.106 0.000 0.858 95 N CB 0.133 38.646 38.487 0.044 0.000 0.989 95 N HN 0.748 nan 8.380 nan 0.000 0.426 96 S N -0.937 114.794 115.700 0.051 0.000 3.019 96 S HA 0.153 4.623 4.470 -0.000 0.000 0.258 96 S C 0.134 174.802 174.600 0.113 0.000 1.082 96 S CA -0.414 57.831 58.200 0.076 0.000 0.836 96 S CB 0.010 63.253 63.200 0.073 0.000 0.834 96 S HN 0.023 nan 8.310 nan 0.000 0.457 97 S N 4.936 120.680 115.700 0.073 0.000 2.414 97 S HA 0.373 4.843 4.470 -0.000 0.000 0.290 97 S C -2.470 172.181 174.600 0.086 0.000 1.160 97 S CA -0.851 57.391 58.200 0.070 0.000 1.069 97 S CB 0.993 64.246 63.200 0.087 0.000 1.012 97 S HN 0.522 nan 8.310 nan 0.000 0.510 98 P HA 0.407 nan 4.420 nan 0.000 0.274 98 P C -1.067 176.247 177.300 0.023 0.000 1.246 98 P CA -0.541 62.638 63.100 0.131 0.000 0.795 98 P CB 0.764 32.574 31.700 0.183 0.000 1.006 99 A N 0.996 123.817 122.820 0.001 0.000 2.414 99 A HA 0.593 4.912 4.320 -0.000 0.000 0.306 99 A C -1.040 176.478 177.584 -0.110 0.000 1.054 99 A CA -0.666 51.320 52.037 -0.086 0.000 0.724 99 A CB 1.432 20.354 19.000 -0.130 0.000 1.267 99 A HN 0.275 nan 8.150 nan 0.000 0.418 100 V N 2.686 122.498 119.914 -0.170 0.000 2.417 100 V HA 0.415 4.535 4.120 -0.000 0.000 0.291 100 V C -0.872 174.973 176.094 -0.414 0.000 1.024 100 V CA -0.294 61.890 62.300 -0.193 0.000 0.861 100 V CB 1.276 33.090 31.823 -0.016 0.000 0.985 100 V HN 0.688 nan 8.190 nan 0.000 0.436 101 I N 5.803 126.013 120.570 -0.601 0.000 2.339 101 I HA 0.467 4.636 4.170 -0.000 0.000 0.290 101 I C -0.088 175.829 176.117 -0.334 0.000 0.994 101 I CA 0.013 60.910 61.300 -0.671 0.000 1.191 101 I CB 0.779 38.165 38.000 -1.024 0.000 1.343 101 I HN 0.295 nan 8.210 nan 0.000 0.458 102 F N 3.712 123.577 119.950 -0.141 0.000 2.368 102 F HA 0.642 5.168 4.527 -0.001 0.000 0.308 102 F C 1.071 176.862 175.800 -0.015 0.000 1.198 102 F CA -1.521 56.463 58.000 -0.026 0.000 1.130 102 F CB 0.075 39.127 39.000 0.087 0.000 1.300 102 F HN 0.470 nan 8.300 nan 0.000 0.537 103 A N 1.042 124.015 122.820 0.256 0.000 2.466 103 A HA 0.218 4.537 4.320 -0.000 0.000 0.238 103 A C 0.674 178.310 177.584 0.087 0.000 1.074 103 A CA -0.495 51.634 52.037 0.154 0.000 0.774 103 A CB -0.105 18.969 19.000 0.123 0.000 1.015 103 A HN 0.760 nan 8.150 nan 0.000 0.498 104 R N 0.979 121.506 120.500 0.044 0.000 2.585 104 R HA 0.087 4.426 4.340 -0.000 0.000 0.275 104 R C -0.422 175.813 176.300 -0.108 0.000 1.018 104 R CA 0.258 56.338 56.100 -0.033 0.000 1.072 104 R CB 0.244 30.538 30.300 -0.011 0.000 0.953 104 R HN 0.779 nan 8.270 nan 0.000 0.419 105 Q N 1.813 121.442 119.800 -0.285 0.000 2.240 105 Q HA 0.202 4.542 4.340 -0.000 0.000 0.260 105 Q C -1.008 174.703 176.000 -0.481 0.000 1.018 105 Q CA -0.709 54.815 55.803 -0.466 0.000 0.898 105 Q CB 1.695 29.848 28.738 -0.976 0.000 1.301 105 Q HN 0.615 nan 8.270 nan 0.000 0.469 106 H N 0.317 119.084 119.070 -0.506 0.000 2.708 106 H HA 0.413 4.969 4.556 -0.000 0.000 0.320 106 H C -1.562 173.700 175.328 -0.110 0.000 0.991 106 H CA -0.367 55.508 56.048 -0.289 0.000 1.243 106 H CB -0.103 29.603 29.762 -0.092 0.000 1.446 106 H HN 0.420 nan 8.280 nan 0.000 0.502 107 F N 7.447 127.191 119.950 -0.343 0.000 2.363 107 F HA 0.251 4.778 4.527 0.000 0.000 0.366 107 F C -1.595 173.996 175.800 -0.348 0.000 1.083 107 F CA -2.088 55.747 58.000 -0.275 0.000 1.176 107 F CB 1.461 40.383 39.000 -0.129 0.000 1.432 107 F HN 0.532 nan 8.300 nan 0.000 0.482 108 P HA -0.121 nan 4.420 nan 0.000 0.216 108 P C 0.810 178.093 177.300 -0.030 0.000 1.153 108 P CA 0.960 63.958 63.100 -0.170 0.000 0.858 108 P CB 0.319 31.965 31.700 -0.090 0.000 0.789 109 G N -3.049 105.753 108.800 0.003 0.000 2.714 109 G HA2 0.339 4.298 3.960 -0.000 0.000 0.292 109 G HA3 0.339 4.298 3.960 -0.000 0.000 0.292 109 G C 0.620 175.527 174.900 0.013 0.000 1.308 109 G CA -0.154 44.957 45.100 0.017 0.000 0.964 109 G HN -0.189 nan 8.290 nan 0.000 0.484 110 T N 0.318 114.876 114.554 0.007 0.000 2.833 110 T HA -0.088 4.262 4.350 -0.000 0.000 0.269 110 T C 1.687 176.375 174.700 -0.019 0.000 1.054 110 T CA 1.627 63.717 62.100 -0.017 0.000 1.135 110 T CB -0.121 68.735 68.868 -0.021 0.000 0.869 110 T HN 0.446 nan 8.240 nan 0.000 0.466 111 D N 1.217 121.649 120.400 0.053 0.000 2.264 111 D HA -0.069 4.571 4.640 -0.000 0.000 0.208 111 D C 1.817 178.177 176.300 0.100 0.000 0.966 111 D CA 0.736 54.862 54.000 0.210 0.000 0.864 111 D CB -0.200 40.773 40.800 0.289 0.000 0.933 111 D HN 0.407 nan 8.370 nan 0.000 0.499 112 D N 0.469 120.841 120.400 -0.046 0.000 2.123 112 D HA -0.140 4.500 4.640 -0.000 0.000 0.200 112 D C 1.979 177.932 176.300 -0.579 0.000 0.976 112 D CA 0.559 54.472 54.000 -0.145 0.000 0.831 112 D CB -0.137 40.664 40.800 0.001 0.000 0.974 112 D HN 0.338 nan 8.370 nan 0.000 0.469 113 Q N 0.784 120.099 119.800 -0.808 0.000 2.061 113 Q HA -0.146 4.194 4.340 -0.000 0.000 0.204 113 Q C 2.431 178.159 176.000 -0.454 0.000 0.984 113 Q CA 1.047 56.127 55.803 -1.205 0.000 0.846 113 Q CB -0.156 28.287 28.738 -0.493 0.000 0.902 113 Q HN 0.262 nan 8.270 nan 0.000 0.421 114 L N 0.030 121.160 121.223 -0.155 0.000 2.083 114 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 114 L C 2.743 179.711 176.870 0.163 0.000 1.083 114 L CA 1.211 56.069 54.840 0.031 0.000 0.752 114 L CB -0.466 41.614 42.059 0.034 0.000 0.899 114 L HN 0.231 nan 8.230 nan 0.000 0.433 115 R N -0.643 119.943 120.500 0.143 0.000 2.096 115 R HA -0.173 4.167 4.340 -0.000 0.000 0.235 115 R C 2.291 178.620 176.300 0.048 0.000 1.127 115 R CA 1.507 57.641 56.100 0.058 0.000 0.968 115 R CB -0.438 29.809 30.300 -0.088 0.000 0.861 115 R HN 0.194 nan 8.270 nan 0.000 0.440 116 F N 1.432 121.312 119.950 -0.117 0.000 2.102 116 F HA -0.193 4.334 4.527 -0.001 0.000 0.298 116 F C 2.355 178.163 175.800 0.012 0.000 1.105 116 F CA 1.526 59.513 58.000 -0.022 0.000 1.239 116 F CB -0.318 38.689 39.000 0.012 0.000 0.991 116 F HN -0.009 nan 8.300 nan 0.000 0.474 117 A N 0.308 123.246 122.820 0.197 0.000 1.908 117 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 117 A C 2.390 179.984 177.584 0.017 0.000 1.181 117 A CA 1.933 54.046 52.037 0.126 0.000 0.627 117 A CB -1.598 17.471 19.000 0.115 0.000 0.818 117 A HN 0.504 nan 8.150 nan 0.000 0.445 118 A N -0.954 121.885 122.820 0.031 0.000 1.902 118 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 118 A C 2.501 180.057 177.584 -0.047 0.000 1.181 118 A CA 2.241 54.289 52.037 0.018 0.000 0.623 118 A CB -0.980 18.073 19.000 0.089 0.000 0.818 118 A HN 0.564 nan 8.150 nan 0.000 0.443 119 S N -0.781 114.863 115.700 -0.093 0.000 2.368 119 S HA -0.102 4.368 4.470 -0.000 0.000 0.224 119 S C 1.962 176.441 174.600 -0.201 0.000 1.029 119 S CA 1.320 59.438 58.200 -0.137 0.000 0.988 119 S CB -0.469 62.615 63.200 -0.194 0.000 0.838 119 S HN 0.537 nan 8.310 nan 0.000 0.462 120 L N 0.837 121.885 121.223 -0.292 0.000 2.046 120 L HA -0.032 4.307 4.340 -0.000 0.000 0.208 120 L C 2.163 178.859 176.870 -0.289 0.000 1.077 120 L CA 1.554 56.201 54.840 -0.321 0.000 0.747 120 L CB -0.334 41.565 42.059 -0.266 0.000 0.896 120 L HN 0.391 nan 8.230 nan 0.000 0.432 121 I N -0.941 119.511 120.570 -0.197 0.000 2.226 121 I HA -0.319 3.851 4.170 -0.000 0.000 0.245 121 I C 2.764 178.767 176.117 -0.189 0.000 1.100 121 I CA 1.458 62.653 61.300 -0.176 0.000 1.374 121 I CB -0.386 37.564 38.000 -0.084 0.000 1.057 121 I HN 0.326 nan 8.210 nan 0.000 0.413 122 S N 0.829 116.436 115.700 -0.155 0.000 2.368 122 S HA -0.145 4.325 4.470 -0.000 0.000 0.225 122 S C 2.121 176.527 174.600 -0.324 0.000 1.030 122 S CA 1.680 59.796 58.200 -0.141 0.000 0.999 122 S CB -0.617 62.566 63.200 -0.028 0.000 0.844 122 S HN 0.558 nan 8.310 nan 0.000 0.459 123 G N 0.640 109.181 108.800 -0.432 0.000 2.422 123 G HA2 -0.116 3.843 3.960 -0.000 0.000 0.218 123 G HA3 -0.116 3.843 3.960 -0.000 0.000 0.218 123 G C 1.480 176.141 174.900 -0.398 0.000 1.146 123 G CA 1.019 45.681 45.100 -0.730 0.000 0.769 123 G HN 0.471 nan 8.290 nan 0.000 0.547 124 V N 1.005 120.726 119.914 -0.321 0.000 2.295 124 V HA -0.133 3.987 4.120 -0.000 0.000 0.246 124 V C 2.915 178.848 176.094 -0.268 0.000 1.049 124 V CA 1.500 63.645 62.300 -0.258 0.000 1.024 124 V CB -0.428 31.202 31.823 -0.323 0.000 0.648 124 V HN 0.349 nan 8.190 nan 0.000 0.447 125 L N 0.327 121.390 121.223 -0.268 0.000 2.083 125 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 125 L C 2.723 179.487 176.870 -0.176 0.000 1.083 125 L CA 1.817 56.514 54.840 -0.238 0.000 0.752 125 L CB -0.729 41.225 42.059 -0.175 0.000 0.899 125 L HN 0.498 nan 8.230 nan 0.000 0.433 126 S N -0.596 115.009 115.700 -0.158 0.000 2.383 126 S HA -0.260 4.210 4.470 -0.000 0.000 0.227 126 S C 2.111 176.711 174.600 0.000 0.000 1.026 126 S CA 0.953 59.119 58.200 -0.058 0.000 0.981 126 S CB -0.420 62.744 63.200 -0.060 0.000 0.818 126 S HN 0.477 nan 8.310 nan 0.000 0.472 127 Y N 1.970 122.189 120.300 -0.134 0.000 2.220 127 Y HA 0.115 4.665 4.550 -0.001 0.000 0.291 127 Y C 2.409 178.198 175.900 -0.184 0.000 1.129 127 Y CA 1.948 59.901 58.100 -0.245 0.000 1.161 127 Y CB -0.386 37.942 38.460 -0.220 0.000 0.997 127 Y HN 0.270 nan 8.280 nan 0.000 0.522 128 K N -0.092 120.204 120.400 -0.173 0.000 2.211 128 K HA -0.114 4.206 4.320 -0.000 0.000 0.203 128 K C 2.122 178.585 176.600 -0.229 0.000 1.050 128 K CA 0.926 57.069 56.287 -0.241 0.000 0.945 128 K CB -0.237 31.972 32.500 -0.485 0.000 0.732 128 K HN 0.371 nan 8.250 nan 0.000 0.451 129 A N 1.230 123.928 122.820 -0.203 0.000 1.898 129 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 129 A C 2.040 179.513 177.584 -0.186 0.000 1.181 129 A CA 1.041 52.982 52.037 -0.161 0.000 0.620 129 A CB -0.495 18.443 19.000 -0.103 0.000 0.819 129 A HN 0.284 nan 8.150 nan 0.000 0.442 130 L N -0.753 120.327 121.223 -0.239 0.000 2.046 130 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 130 L C 2.627 179.299 176.870 -0.329 0.000 1.077 130 L CA 1.286 55.965 54.840 -0.267 0.000 0.747 130 L CB -0.512 41.346 42.059 -0.334 0.000 0.896 130 L HN 0.526 nan 8.230 nan 0.000 0.432 131 L N -0.102 120.860 121.223 -0.435 0.000 1.970 131 L HA -0.263 4.077 4.340 -0.000 0.000 0.212 131 L C 2.117 178.837 176.870 -0.249 0.000 1.071 131 L CA 1.756 56.352 54.840 -0.406 0.000 0.751 131 L CB -0.368 41.480 42.059 -0.352 0.000 0.889 131 L HN 0.302 nan 8.230 nan 0.000 0.432 132 D N -0.468 119.810 120.400 -0.203 0.000 2.263 132 D HA -0.125 4.515 4.640 -0.000 0.000 0.208 132 D C 2.123 178.178 176.300 -0.409 0.000 0.971 132 D CA 1.389 55.262 54.000 -0.211 0.000 0.867 132 D CB 0.036 40.748 40.800 -0.147 0.000 0.929 132 D HN 0.498 nan 8.370 nan 0.000 0.492 133 S N -0.395 115.116 115.700 -0.314 0.000 2.605 133 S HA -0.048 4.422 4.470 -0.000 0.000 0.217 133 S C 0.382 174.873 174.600 -0.181 0.000 0.958 133 S CA -0.336 57.716 58.200 -0.247 0.000 0.919 133 S CB -0.300 62.831 63.200 -0.116 0.000 0.780 133 S HN 0.176 nan 8.310 nan 0.000 0.507 134 H N 0.324 119.403 119.070 0.014 0.000 2.820 134 H HA -0.121 4.435 4.556 -0.000 0.000 0.295 134 H C -0.096 175.203 175.328 -0.048 0.000 1.187 134 H CA 0.821 56.887 56.048 0.030 0.000 1.144 134 H CB -2.435 27.372 29.762 0.075 0.000 1.354 134 H HN 0.523 nan 8.280 nan 0.000 0.395 135 S N 0.176 115.850 115.700 -0.044 0.000 2.552 135 S HA 0.302 4.772 4.470 -0.000 0.000 0.246 135 S C 1.057 175.574 174.600 -0.138 0.000 1.019 135 S CA -0.365 57.794 58.200 -0.068 0.000 1.045 135 S CB 0.612 63.772 63.200 -0.068 0.000 0.784 135 S HN 0.261 nan 8.310 nan 0.000 0.453 136 I N 3.067 123.516 120.570 -0.201 0.000 2.365 136 I HA 0.241 4.411 4.170 -0.000 0.000 0.291 136 I C -2.331 173.656 176.117 -0.217 0.000 1.004 136 I CA -2.545 58.571 61.300 -0.307 0.000 1.311 136 I CB 0.947 38.611 38.000 -0.560 0.000 1.401 136 I HN -0.072 nan 8.210 nan 0.000 0.491 137 P HA -0.004 nan 4.420 nan 0.000 0.256 137 P C 0.010 177.245 177.300 -0.110 0.000 1.189 137 P CA 0.236 63.282 63.100 -0.090 0.000 0.808 137 P CB -0.084 31.592 31.700 -0.041 0.000 0.793 148 Q N 0.541 120.326 119.800 -0.025 0.000 2.304 148 Q HA 0.485 4.825 4.340 -0.000 0.000 0.260 148 Q C -2.083 173.889 176.000 -0.047 0.000 0.965 148 Q CA -1.059 54.718 55.803 -0.044 0.000 0.898 148 Q CB 0.667 29.364 28.738 -0.068 0.000 1.196 148 Q HN 0.224 nan 8.270 nan 0.000 0.402 149 P HA 0.034 nan 4.420 nan 0.000 0.266 149 P C -1.203 176.065 177.300 -0.053 0.000 1.195 149 P CA 0.346 63.424 63.100 -0.038 0.000 0.768 149 P CB 0.472 32.152 31.700 -0.034 0.000 0.838 150 L N 1.674 122.884 121.223 -0.022 0.000 2.323 150 L HA 0.475 4.815 4.340 -0.000 0.000 0.265 150 L C 0.260 177.145 176.870 0.025 0.000 1.012 150 L CA -1.175 53.656 54.840 -0.016 0.000 0.820 150 L CB 1.871 43.939 42.059 0.016 0.000 1.334 150 L HN 0.433 nan 8.230 nan 0.000 0.427 151 C N 2.688 122.003 119.300 0.026 0.000 2.662 151 C HA 0.213 4.673 4.460 -0.000 0.000 0.420 151 C C 1.233 176.310 174.990 0.145 0.000 1.314 151 C CA -0.275 58.782 59.018 0.066 0.000 1.963 151 C CB 0.064 27.830 27.740 0.044 0.000 2.686 151 C HN 0.767 nan 8.230 nan 0.000 0.609 152 M N 4.696 124.421 119.600 0.207 0.000 2.347 152 M HA 0.130 4.609 4.480 -0.000 0.000 0.302 152 M C 1.715 178.279 176.300 0.441 0.000 1.051 152 M CA 0.057 55.582 55.300 0.376 0.000 0.988 152 M CB -0.617 32.169 32.600 0.310 0.000 1.475 152 M HN 0.675 nan 8.290 nan 0.000 0.530 153 K N 1.286 121.870 120.400 0.306 0.000 2.074 153 K HA -0.147 4.173 4.320 -0.000 0.000 0.209 153 K C 1.737 178.498 176.600 0.269 0.000 1.048 153 K CA 1.498 57.977 56.287 0.319 0.000 0.926 153 K CB -0.293 32.305 32.500 0.164 0.000 0.713 153 K HN 0.533 nan 8.250 nan 0.000 0.444 154 Q N -0.576 119.292 119.800 0.113 0.000 2.152 154 Q HA -0.204 4.135 4.340 -0.000 0.000 0.206 154 Q C 2.074 177.988 176.000 -0.144 0.000 0.985 154 Q CA 1.782 57.582 55.803 -0.005 0.000 0.863 154 Q CB -0.375 28.292 28.738 -0.119 0.000 0.904 154 Q HN 0.392 nan 8.270 nan 0.000 0.422 155 Y N -1.084 119.151 120.300 -0.109 0.000 2.207 155 Y HA -0.238 4.312 4.550 -0.001 0.000 0.287 155 Y C 1.622 177.315 175.900 -0.346 0.000 1.156 155 Y CA 1.248 59.165 58.100 -0.305 0.000 1.182 155 Y CB -0.395 37.820 38.460 -0.409 0.000 0.979 155 Y HN 0.206 nan 8.280 nan 0.000 0.521 156 Y N -1.270 119.111 120.300 0.134 0.000 2.632 156 Y HA 0.065 4.615 4.550 -0.001 0.000 0.301 156 Y C 2.103 178.048 175.900 0.076 0.000 1.172 156 Y CA 0.592 58.756 58.100 0.107 0.000 1.328 156 Y CB -0.295 38.236 38.460 0.118 0.000 1.016 156 Y HN 0.066 nan 8.280 nan 0.000 0.529 157 G N -1.349 107.528 108.800 0.129 0.000 3.277 157 G HA2 0.097 4.057 3.960 -0.000 0.000 0.243 157 G HA3 0.097 4.057 3.960 -0.000 0.000 0.243 157 G C 1.276 176.219 174.900 0.072 0.000 1.107 157 G CA -0.137 45.052 45.100 0.149 0.000 0.771 157 G HN 0.310 nan 8.290 nan 0.000 0.544 158 L N -0.716 120.354 121.223 -0.256 0.000 2.017 158 L HA 0.073 4.413 4.340 -0.000 0.000 0.208 158 L C 1.950 178.467 176.870 -0.589 0.000 1.073 158 L CA 1.353 55.768 54.840 -0.708 0.000 0.745 158 L CB -0.192 41.127 42.059 -1.234 0.000 0.894 158 L HN 0.281 nan 8.230 nan 0.000 0.432 159 F N -2.405 117.604 119.950 0.099 0.000 2.706 159 F HA 0.093 4.620 4.527 0.000 0.000 0.308 159 F C 1.859 177.721 175.800 0.103 0.000 1.095 159 F CA 0.019 58.084 58.000 0.107 0.000 1.244 159 F CB 0.091 39.136 39.000 0.074 0.000 1.063 159 F HN -0.038 nan 8.300 nan 0.000 0.582 160 S N -1.401 114.438 115.700 0.232 0.000 2.575 160 S HA 0.307 4.777 4.470 -0.000 0.000 0.237 160 S C 0.237 174.944 174.600 0.179 0.000 0.975 160 S CA -0.354 57.960 58.200 0.190 0.000 0.960 160 S CB -0.238 63.068 63.200 0.176 0.000 0.822 160 S HN -0.029 nan 8.310 nan 0.000 0.472 161 S N 1.110 116.924 115.700 0.190 0.000 2.578 161 S HA 0.731 5.200 4.470 -0.000 0.000 0.301 161 S C -1.421 173.321 174.600 0.238 0.000 1.091 161 S CA -0.608 57.703 58.200 0.186 0.000 1.032 161 S CB 1.254 64.545 63.200 0.153 0.000 1.064 161 S HN 0.532 nan 8.310 nan 0.000 0.508 162 Y N 1.213 121.571 120.300 0.097 0.000 2.399 162 Y HA 0.415 4.965 4.550 -0.000 0.000 0.327 162 Y C -0.734 175.231 175.900 0.109 0.000 1.111 162 Y CA -0.631 57.539 58.100 0.117 0.000 1.047 162 Y CB 1.113 39.647 38.460 0.123 0.000 1.259 162 Y HN 0.653 nan 8.280 nan 0.000 0.434 163 R N 6.462 126.665 120.500 -0.496 0.000 2.230 163 R HA 0.431 4.771 4.340 -0.000 0.000 0.337 163 R C -1.523 174.664 176.300 -0.189 0.000 1.063 163 R CA -0.647 55.310 56.100 -0.238 0.000 0.935 163 R CB 0.244 30.436 30.300 -0.180 0.000 1.121 163 R HN 0.686 nan 8.270 nan 0.000 0.486 164 L N 7.234 128.513 121.223 0.093 0.000 2.380 164 L HA 0.344 4.684 4.340 -0.000 0.000 0.273 164 L C -1.933 174.975 176.870 0.062 0.000 1.138 164 L CA -1.736 53.227 54.840 0.204 0.000 0.832 164 L CB 0.931 43.117 42.059 0.212 0.000 1.124 164 L HN 0.575 nan 8.230 nan 0.000 0.454 165 P HA 0.395 nan 4.420 nan 0.000 0.279 165 P C -0.815 176.431 177.300 -0.091 0.000 1.252 165 P CA -0.424 62.627 63.100 -0.082 0.000 0.811 165 P CB 1.574 33.101 31.700 -0.288 0.000 1.035 166 G N -0.743 108.027 108.800 -0.051 0.000 2.672 166 G HA2 0.262 4.222 3.960 -0.000 0.000 0.292 166 G HA3 0.262 4.222 3.960 -0.000 0.000 0.292 166 G C 0.111 175.020 174.900 0.014 0.000 1.375 166 G CA -0.311 44.778 45.100 -0.019 0.000 0.890 166 G HN 0.549 nan 8.290 nan 0.000 0.476 167 H N -0.384 118.652 119.070 -0.057 0.000 2.353 167 H HA -0.088 4.468 4.556 -0.000 0.000 0.300 167 H C 2.355 177.663 175.328 -0.034 0.000 1.090 167 H CA 3.281 59.301 56.048 -0.045 0.000 1.327 167 H CB 0.439 30.177 29.762 -0.039 0.000 1.383 167 H HN 0.535 nan 8.280 nan 0.000 0.508 168 T N -3.994 110.510 114.554 -0.083 0.000 2.980 168 T HA 0.171 4.521 4.350 -0.000 0.000 0.252 168 T C 0.579 175.238 174.700 -0.068 0.000 0.962 168 T CA -0.395 61.624 62.100 -0.134 0.000 0.932 168 T CB 0.601 69.410 68.868 -0.099 0.000 1.188 168 T HN 0.250 nan 8.240 nan 0.000 0.500 169 Q N 0.886 120.669 119.800 -0.028 0.000 2.305 169 Q HA 0.424 4.764 4.340 -0.000 0.000 0.271 169 Q C -1.838 174.159 176.000 -0.004 0.000 1.046 169 Q CA -0.646 55.147 55.803 -0.017 0.000 0.798 169 Q CB 1.921 30.657 28.738 -0.004 0.000 1.286 169 Q HN 0.123 nan 8.270 nan 0.000 0.435 170 D N 1.327 121.725 120.400 -0.005 0.000 2.377 170 D HA 0.315 4.954 4.640 -0.000 0.000 0.245 170 D C -0.741 175.572 176.300 0.020 0.000 1.196 170 D CA 0.392 54.395 54.000 0.006 0.000 0.962 170 D CB 1.216 42.019 40.800 0.006 0.000 1.127 170 D HN 0.346 nan 8.370 nan 0.000 0.471 171 T N 1.080 115.654 114.554 0.034 0.000 2.841 171 T HA 0.366 4.716 4.350 -0.000 0.000 0.285 171 T C -0.713 174.027 174.700 0.066 0.000 0.991 171 T CA -0.601 61.529 62.100 0.051 0.000 0.966 171 T CB 0.924 69.827 68.868 0.058 0.000 0.962 171 T HN 0.108 nan 8.240 nan 0.000 0.438 172 L N 5.765 127.025 121.223 0.061 0.000 2.268 172 L HA 0.525 4.864 4.340 -0.000 0.000 0.289 172 L C -0.588 176.341 176.870 0.098 0.000 1.064 172 L CA -0.285 54.595 54.840 0.066 0.000 0.824 172 L CB 0.339 42.426 42.059 0.047 0.000 1.202 172 L HN 0.417 nan 8.230 nan 0.000 0.433 173 V N 5.364 125.365 119.914 0.144 0.000 2.461 173 V HA 0.560 4.680 4.120 -0.000 0.000 0.275 173 V C 0.703 176.883 176.094 0.143 0.000 1.047 173 V CA -0.229 62.162 62.300 0.151 0.000 0.955 173 V CB 0.812 32.753 31.823 0.197 0.000 0.988 173 V HN 0.921 nan 8.190 nan 0.000 0.471 174 A N 5.193 128.080 122.820 0.113 0.000 2.280 174 A HA 0.528 4.848 4.320 -0.000 0.000 0.320 174 A C -0.041 177.602 177.584 0.098 0.000 1.366 174 A CA -0.432 51.671 52.037 0.110 0.000 0.938 174 A CB 0.566 19.623 19.000 0.095 0.000 1.157 174 A HN 0.847 nan 8.150 nan 0.000 0.536 181 P HA 0.288 nan 4.420 nan 0.000 0.270 181 P C -0.924 176.379 177.300 0.006 0.000 1.216 181 P CA 0.650 63.764 63.100 0.022 0.000 0.788 181 P CB 0.538 32.277 31.700 0.066 0.000 0.883 182 E N 1.142 121.351 120.200 0.016 0.000 2.302 182 E HA 0.389 4.739 4.350 -0.000 0.000 0.263 182 E C -2.497 174.114 176.600 0.017 0.000 0.897 182 E CA -1.757 54.648 56.400 0.009 0.000 0.809 182 E CB 0.630 30.333 29.700 0.006 0.000 1.270 182 E HN 0.311 nan 8.360 nan 0.000 0.410 183 P HA 0.363 nan 4.420 nan 0.000 0.282 183 P C -0.639 176.699 177.300 0.063 0.000 1.287 183 P CA -0.582 62.533 63.100 0.025 0.000 0.792 183 P CB 0.755 32.469 31.700 0.024 0.000 1.163 184 E N 0.055 120.273 120.200 0.029 0.000 2.343 184 E HA 0.226 4.576 4.350 -0.000 0.000 0.269 184 E C 0.096 176.753 176.600 0.096 0.000 1.047 184 E CA -0.270 56.145 56.400 0.024 0.000 0.874 184 E CB 0.508 30.172 29.700 -0.061 0.000 1.033 184 E HN 0.582 nan 8.360 nan 0.000 0.409 185 H N -1.283 117.773 119.070 -0.022 0.000 2.990 185 H HA 0.599 5.155 4.556 0.000 0.000 0.343 185 H C -1.053 174.282 175.328 0.012 0.000 1.270 185 H CA -1.013 55.031 56.048 -0.007 0.000 1.118 185 H CB 0.887 30.646 29.762 -0.004 0.000 1.861 185 H HN 0.308 nan 8.280 nan 0.000 0.544 186 V N -0.470 119.482 119.914 0.063 0.000 3.001 186 V HA 0.547 4.667 4.120 -0.000 0.000 0.314 186 V C -0.564 175.631 176.094 0.168 0.000 1.099 186 V CA -1.091 61.235 62.300 0.043 0.000 0.989 186 V CB 2.158 34.023 31.823 0.071 0.000 1.040 186 V HN 0.608 nan 8.190 nan 0.000 0.434 187 I N 2.860 123.530 120.570 0.167 0.000 2.336 187 I HA 0.453 4.622 4.170 -0.000 0.000 0.292 187 I C -0.161 176.110 176.117 0.257 0.000 0.991 187 I CA -0.462 60.972 61.300 0.223 0.000 1.227 187 I CB 1.519 39.621 38.000 0.170 0.000 1.366 187 I HN 0.494 nan 8.210 nan 0.000 0.466 188 V N 6.007 126.093 119.914 0.286 0.000 2.370 188 V HA 0.569 4.689 4.120 -0.000 0.000 0.279 188 V C 0.524 176.810 176.094 0.320 0.000 1.029 188 V CA -0.710 61.743 62.300 0.255 0.000 0.870 188 V CB 1.411 33.334 31.823 0.167 0.000 0.984 188 V HN 0.849 nan 8.190 nan 0.000 0.451 189 A N 4.248 127.214 122.820 0.244 0.000 2.260 189 A HA 0.679 4.998 4.320 -0.000 0.000 0.314 189 A C -0.431 177.191 177.584 0.064 0.000 1.257 189 A CA -0.365 51.745 52.037 0.122 0.000 0.871 189 A CB 0.853 19.941 19.000 0.146 0.000 1.166 189 A HN 0.958 nan 8.150 nan 0.000 0.522 190 C N 2.649 121.975 119.300 0.044 0.000 2.607 190 C HA 0.495 4.955 4.460 -0.000 0.000 0.350 190 C C 0.415 175.421 174.990 0.027 0.000 1.101 190 C CA 0.195 59.232 59.018 0.031 0.000 1.282 190 C CB -0.839 26.900 27.740 -0.000 0.000 1.825 190 C HN 1.488 nan 8.230 nan 0.000 0.460 191 C N 5.901 125.199 119.300 -0.002 0.000 4.350 191 C HA -0.128 4.332 4.460 -0.000 0.000 0.302 191 C C 0.915 175.890 174.990 -0.026 0.000 1.390 191 C CA 1.129 60.146 59.018 -0.003 0.000 2.016 191 C CB -2.963 24.793 27.740 0.025 0.000 1.271 191 C HN 1.109 nan 8.230 nan 0.000 0.760 192 N N -2.215 116.429 118.700 -0.094 0.000 2.815 192 N HA -0.171 4.569 4.740 -0.000 0.000 0.247 192 N C -0.129 175.157 175.510 -0.374 0.000 1.030 192 N CA 1.837 54.779 53.050 -0.180 0.000 0.881 192 N CB -0.403 38.087 38.487 0.006 0.000 1.134 192 N HN 0.836 nan 8.380 nan 0.000 0.582 193 Q N -0.196 119.432 119.800 -0.286 0.000 2.256 193 Q HA 0.517 4.856 4.340 -0.000 0.000 0.257 193 Q C -0.140 175.626 176.000 -0.390 0.000 0.936 193 Q CA -0.156 55.512 55.803 -0.225 0.000 0.903 193 Q CB 0.669 29.455 28.738 0.080 0.000 1.263 193 Q HN 0.154 nan 8.270 nan 0.000 0.440 194 F N 1.866 121.829 119.950 0.022 0.000 2.443 194 F HA 0.533 5.060 4.527 -0.001 0.000 0.335 194 F C -0.300 175.330 175.800 -0.283 0.000 1.104 194 F CA -0.680 57.346 58.000 0.042 0.000 1.013 194 F CB 0.982 40.044 39.000 0.102 0.000 1.136 194 F HN 0.308 nan 8.300 nan 0.000 0.470 195 F N 1.359 121.423 119.950 0.190 0.000 2.540 195 F HA 0.559 5.085 4.527 -0.001 0.000 0.317 195 F C -0.508 175.343 175.800 0.085 0.000 1.104 195 F CA -1.363 56.692 58.000 0.092 0.000 0.913 195 F CB 1.658 40.687 39.000 0.049 0.000 1.170 195 F HN 0.011 nan 8.300 nan 0.000 0.450 196 V N 4.397 124.419 119.914 0.179 0.000 2.455 196 V HA 0.222 4.342 4.120 -0.000 0.000 0.273 196 V C -0.504 175.665 176.094 0.125 0.000 1.045 196 V CA -0.333 62.030 62.300 0.105 0.000 0.976 196 V CB 1.086 32.845 31.823 -0.106 0.000 0.993 196 V HN 0.506 nan 8.190 nan 0.000 0.475 197 L N 5.565 126.886 121.223 0.164 0.000 2.324 197 L HA 0.566 4.905 4.340 -0.000 0.000 0.274 197 L C -0.227 176.716 176.870 0.122 0.000 1.012 197 L CA -0.178 54.731 54.840 0.114 0.000 0.859 197 L CB 1.041 43.159 42.059 0.098 0.000 1.224 197 L HN 0.515 nan 8.230 nan 0.000 0.429 198 D N 3.857 124.306 120.400 0.081 0.000 2.417 198 D HA 0.096 4.736 4.640 -0.000 0.000 0.250 198 D C 1.131 177.462 176.300 0.051 0.000 1.166 198 D CA 0.402 54.450 54.000 0.081 0.000 0.881 198 D CB 1.840 42.661 40.800 0.035 0.000 1.164 198 D HN 0.501 nan 8.370 nan 0.000 0.467 199 V N 0.330 120.269 119.914 0.041 0.000 3.645 199 V HA 0.226 4.346 4.120 -0.000 0.000 0.275 199 V C 0.381 176.468 176.094 -0.011 0.000 1.356 199 V CA 0.047 62.350 62.300 0.004 0.000 1.051 199 V CB 0.448 32.259 31.823 -0.020 0.000 0.828 199 V HN 0.222 nan 8.190 nan 0.000 0.441 200 V N 1.253 121.162 119.914 -0.007 0.000 2.808 200 V HA 0.643 4.763 4.120 -0.000 0.000 0.308 200 V C -1.100 174.994 176.094 0.000 0.000 1.099 200 V CA -0.429 61.861 62.300 -0.018 0.000 0.920 200 V CB 2.101 33.887 31.823 -0.061 0.000 1.014 200 V HN 0.266 nan 8.190 nan 0.000 0.425 201 I N 3.872 124.453 120.570 0.019 0.000 2.563 201 I HA 0.478 4.648 4.170 -0.000 0.000 0.281 201 I C -0.168 175.995 176.117 0.078 0.000 1.110 201 I CA -0.317 61.004 61.300 0.036 0.000 1.073 201 I CB 1.737 39.755 38.000 0.030 0.000 1.215 201 I HN 0.605 nan 8.210 nan 0.000 0.460 202 N N 6.211 124.979 118.700 0.114 0.000 2.726 202 N HA -0.231 4.508 4.740 -0.000 0.000 0.253 202 N C 0.046 175.813 175.510 0.428 0.000 1.059 202 N CA 0.760 53.966 53.050 0.260 0.000 0.701 202 N CB -0.776 37.804 38.487 0.154 0.000 0.899 202 N HN 0.730 nan 8.380 nan 0.000 0.548 203 F N -2.981 116.963 119.950 -0.011 0.000 3.059 203 F HA -0.353 4.173 4.527 -0.001 0.000 0.290 203 F C 1.077 176.868 175.800 -0.015 0.000 0.786 203 F CA 0.897 58.887 58.000 -0.016 0.000 1.060 203 F CB -1.071 37.920 39.000 -0.015 0.000 1.327 203 F HN 0.263 nan 8.300 nan 0.000 0.409 204 R N 1.213 121.807 120.500 0.156 0.000 2.265 204 R HA 0.480 4.820 4.340 -0.000 0.000 0.314 204 R C 0.477 176.803 176.300 0.043 0.000 1.053 204 R CA -0.416 55.733 56.100 0.082 0.000 0.931 204 R CB 1.114 31.451 30.300 0.062 0.000 1.024 204 R HN 0.322 nan 8.270 nan 0.000 0.457 205 R N 4.400 124.917 120.500 0.029 0.000 2.358 205 R HA 0.242 4.582 4.340 -0.000 0.000 0.309 205 R C -0.149 176.153 176.300 0.004 0.000 1.026 205 R CA -0.573 55.531 56.100 0.005 0.000 0.909 205 R CB 0.574 30.873 30.300 -0.002 0.000 1.153 205 R HN 0.585 nan 8.270 nan 0.000 0.515 206 L N 3.830 125.055 121.223 0.002 0.000 2.769 206 L HA -0.137 4.203 4.340 -0.000 0.000 0.293 206 L C 0.658 177.531 176.870 0.005 0.000 1.224 206 L CA 0.773 55.616 54.840 0.005 0.000 0.906 206 L CB 0.089 42.150 42.059 0.005 0.000 1.193 206 L HN 0.793 nan 8.230 nan 0.000 0.488 207 S N 1.913 117.620 115.700 0.012 0.000 2.579 207 S HA -0.000 4.469 4.470 -0.000 0.000 0.275 207 S C 0.951 175.561 174.600 0.017 0.000 1.345 207 S CA -0.310 57.897 58.200 0.012 0.000 1.031 207 S CB 1.386 64.594 63.200 0.013 0.000 0.892 207 S HN 0.748 nan 8.310 nan 0.000 0.529 208 E N 2.212 122.419 120.200 0.012 0.000 2.160 208 E HA -0.112 4.238 4.350 -0.000 0.000 0.195 208 E C 1.905 178.531 176.600 0.044 0.000 0.991 208 E CA 1.333 57.742 56.400 0.015 0.000 0.810 208 E CB -0.923 28.774 29.700 -0.006 0.000 0.742 208 E HN 0.919 nan 8.360 nan 0.000 0.466 209 G N 0.502 109.324 108.800 0.036 0.000 2.394 209 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.215 209 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.215 209 G C 1.262 176.232 174.900 0.116 0.000 1.165 209 G CA 0.852 45.993 45.100 0.069 0.000 0.784 209 G HN 0.225 nan 8.290 nan 0.000 0.535 210 D N 0.509 120.949 120.400 0.068 0.000 2.144 210 D HA -0.029 4.611 4.640 -0.000 0.000 0.200 210 D C 2.665 178.994 176.300 0.048 0.000 0.978 210 D CA 0.362 54.392 54.000 0.051 0.000 0.833 210 D CB -0.048 40.769 40.800 0.028 0.000 0.961 210 D HN 0.274 nan 8.370 nan 0.000 0.470 211 L N -0.001 121.255 121.223 0.056 0.000 2.046 211 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 211 L C 2.412 179.318 176.870 0.060 0.000 1.077 211 L CA 0.798 55.663 54.840 0.042 0.000 0.747 211 L CB -0.444 41.637 42.059 0.037 0.000 0.896 211 L HN -0.024 nan 8.230 nan 0.000 0.432 212 F N 0.929 120.856 119.950 -0.037 0.000 2.095 212 F HA -0.247 4.280 4.527 -0.001 0.000 0.298 212 F C 2.464 178.238 175.800 -0.044 0.000 1.104 212 F CA 2.134 60.108 58.000 -0.043 0.000 1.232 212 F CB -0.571 38.405 39.000 -0.040 0.000 0.987 212 F HN -0.049 nan 8.300 nan 0.000 0.475 213 T N 0.530 115.046 114.554 -0.063 0.000 2.746 213 T HA -0.189 4.161 4.350 -0.000 0.000 0.267 213 T C 1.865 176.454 174.700 -0.185 0.000 1.039 213 T CA 1.477 63.481 62.100 -0.159 0.000 1.142 213 T CB -0.255 68.604 68.868 -0.015 0.000 0.866 213 T HN 0.289 nan 8.240 nan 0.000 0.444 214 Q N 0.728 120.459 119.800 -0.116 0.000 2.079 214 Q HA 0.090 4.430 4.340 -0.000 0.000 0.200 214 Q C 2.515 178.416 176.000 -0.166 0.000 0.974 214 Q CA 0.968 56.705 55.803 -0.109 0.000 0.840 214 Q CB -0.618 28.087 28.738 -0.054 0.000 0.898 214 Q HN 0.497 nan 8.270 nan 0.000 0.430 215 L N 0.092 121.205 121.223 -0.185 0.000 2.083 215 L HA -0.171 4.169 4.340 -0.000 0.000 0.209 215 L C 2.653 179.353 176.870 -0.283 0.000 1.083 215 L CA 1.066 55.782 54.840 -0.208 0.000 0.752 215 L CB -0.330 41.633 42.059 -0.160 0.000 0.899 215 L HN 0.167 nan 8.230 nan 0.000 0.433 216 R N 0.187 120.461 120.500 -0.377 0.000 2.081 216 R HA -0.171 4.169 4.340 -0.000 0.000 0.235 216 R C 2.346 178.493 176.300 -0.255 0.000 1.131 216 R CA 1.426 57.309 56.100 -0.362 0.000 0.960 216 R CB -0.149 29.879 30.300 -0.453 0.000 0.856 216 R HN 0.351 nan 8.270 nan 0.000 0.436 217 K N 0.330 120.593 120.400 -0.228 0.000 2.057 217 K HA -0.124 4.196 4.320 -0.000 0.000 0.207 217 K C 2.106 178.552 176.600 -0.256 0.000 1.049 217 K CA 1.331 57.506 56.287 -0.187 0.000 0.931 217 K CB -0.180 32.236 32.500 -0.141 0.000 0.714 217 K HN 0.160 nan 8.250 nan 0.000 0.440 218 I N 0.809 121.166 120.570 -0.354 0.000 2.127 218 I HA -0.310 3.860 4.170 -0.000 0.000 0.241 218 I C 2.254 178.065 176.117 -0.511 0.000 1.075 218 I CA 1.229 62.145 61.300 -0.641 0.000 1.334 218 I CB -0.392 37.235 38.000 -0.622 0.000 1.040 218 I HN -0.053 nan 8.210 nan 0.000 0.405 219 V N 0.890 120.614 119.914 -0.317 0.000 2.380 219 V HA -0.351 3.769 4.120 -0.000 0.000 0.251 219 V C 2.501 178.503 176.094 -0.153 0.000 1.063 219 V CA 2.059 64.237 62.300 -0.204 0.000 1.055 219 V CB -0.732 30.994 31.823 -0.162 0.000 0.657 219 V HN 0.415 nan 8.190 nan 0.000 0.455 220 K N -0.655 119.653 120.400 -0.154 0.000 2.001 220 K HA -0.116 4.204 4.320 -0.000 0.000 0.208 220 K C 2.254 178.818 176.600 -0.060 0.000 1.048 220 K CA 1.555 57.786 56.287 -0.094 0.000 0.932 220 K CB -0.162 32.284 32.500 -0.090 0.000 0.715 220 K HN 0.344 nan 8.250 nan 0.000 0.437 221 M N 0.141 119.695 119.600 -0.077 0.000 2.117 221 M HA -0.139 4.340 4.480 -0.000 0.000 0.262 221 M C 2.280 178.649 176.300 0.115 0.000 1.065 221 M CA 1.603 56.924 55.300 0.035 0.000 1.114 221 M CB -0.268 32.396 32.600 0.107 0.000 1.361 221 M HN 0.261 nan 8.290 nan 0.000 0.408 222 A N -0.454 122.401 122.820 0.058 0.000 2.076 222 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 222 A C 2.066 179.701 177.584 0.084 0.000 1.160 222 A CA 1.902 54.032 52.037 0.155 0.000 0.653 222 A CB -0.623 18.407 19.000 0.049 0.000 0.801 222 A HN 0.478 nan 8.150 nan 0.000 0.455 223 S N 0.194 115.914 115.700 0.033 0.000 2.631 223 S HA 0.043 4.513 4.470 -0.000 0.000 0.217 223 S C 0.584 175.204 174.600 0.033 0.000 0.958 223 S CA -0.355 57.859 58.200 0.023 0.000 0.920 223 S CB -0.334 62.864 63.200 -0.002 0.000 0.776 223 S HN 0.589 nan 8.310 nan 0.000 0.517 224 N N 2.064 120.795 118.700 0.053 0.000 2.415 224 N HA 0.360 5.100 4.740 -0.000 0.000 0.246 224 N C 0.835 176.377 175.510 0.053 0.000 1.078 224 N CA -0.065 53.014 53.050 0.050 0.000 0.942 224 N CB 1.078 39.601 38.487 0.060 0.000 1.140 224 N HN 0.129 nan 8.380 nan 0.000 0.501 225 A N 4.309 127.153 122.820 0.041 0.000 1.883 225 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 225 A C 1.992 179.602 177.584 0.044 0.000 1.186 225 A CA 1.910 53.972 52.037 0.042 0.000 0.624 225 A CB -0.950 18.070 19.000 0.033 0.000 0.822 225 A HN 0.724 nan 8.150 nan 0.000 0.444 226 A N -0.999 121.844 122.820 0.039 0.000 2.131 226 A HA 0.253 4.573 4.320 -0.000 0.000 0.220 226 A C 1.979 179.590 177.584 0.045 0.000 1.158 226 A CA 1.840 53.900 52.037 0.038 0.000 0.665 226 A CB -0.530 18.489 19.000 0.032 0.000 0.795 226 A HN 1.181 nan 8.150 nan 0.000 0.460 227 A N -1.291 121.561 122.820 0.053 0.000 2.431 227 A HA 0.321 4.641 4.320 -0.000 0.000 0.239 227 A C 1.030 178.656 177.584 0.070 0.000 1.230 227 A CA -0.295 51.777 52.037 0.059 0.000 0.928 227 A CB -0.116 18.923 19.000 0.065 0.000 1.006 227 A HN 0.402 nan 8.150 nan 0.000 0.520 228 R N 0.870 121.414 120.500 0.073 0.000 2.489 228 R HA 0.390 4.730 4.340 -0.000 0.000 0.287 228 R C -0.973 175.384 176.300 0.094 0.000 1.053 228 R CA 0.168 56.318 56.100 0.083 0.000 1.036 228 R CB 0.152 30.497 30.300 0.076 0.000 0.966 228 R HN 0.378 nan 8.270 nan 0.000 0.432 229 L N 5.774 127.069 121.223 0.119 0.000 2.332 229 L HA 0.543 4.883 4.340 -0.000 0.000 0.269 229 L C -1.989 174.968 176.870 0.145 0.000 1.016 229 L CA -2.726 52.212 54.840 0.164 0.000 0.809 229 L CB 1.632 43.856 42.059 0.275 0.000 1.280 229 L HN 0.545 nan 8.230 nan 0.000 0.447 230 P HA 0.037 nan 4.420 nan 0.000 0.268 230 P C -2.405 174.919 177.300 0.040 0.000 1.208 230 P CA -0.750 62.384 63.100 0.058 0.000 0.777 230 P CB -0.106 31.605 31.700 0.019 0.000 0.875 231 P HA 0.073 nan 4.420 nan 0.000 0.230 231 P C 0.715 178.015 177.300 0.000 0.000 1.791 231 P CA -0.002 63.144 63.100 0.077 0.000 1.020 231 P CB -0.312 31.483 31.700 0.159 0.000 1.977 232 I N 1.010 121.526 120.570 -0.090 0.000 2.399 232 I HA -0.171 3.999 4.170 -0.000 0.000 0.254 232 I C 2.461 178.433 176.117 -0.242 0.000 1.146 232 I CA 1.550 62.667 61.300 -0.306 0.000 1.412 232 I CB -1.966 35.474 38.000 -0.933 0.000 1.076 232 I HN 0.202 nan 8.210 nan 0.000 0.432 233 G N 0.672 109.569 108.800 0.161 0.000 2.479 233 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.220 233 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.220 233 G C 1.831 176.586 174.900 -0.241 0.000 1.115 233 G CA 0.153 45.266 45.100 0.022 0.000 0.757 233 G HN 0.377 nan 8.290 nan 0.000 0.560 234 L N 0.012 121.154 121.223 -0.136 0.000 2.187 234 L HA 0.008 4.347 4.340 -0.000 0.000 0.213 234 L C 2.677 179.356 176.870 -0.318 0.000 1.100 234 L CA 0.737 55.489 54.840 -0.147 0.000 0.765 234 L CB -0.087 41.898 42.059 -0.124 0.000 0.904 234 L HN 0.243 nan 8.230 nan 0.000 0.437 235 L N -0.657 120.265 121.223 -0.502 0.000 2.201 235 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 235 L C 2.506 178.730 176.870 -1.076 0.000 1.105 235 L CA 1.638 56.094 54.840 -0.641 0.000 0.775 235 L CB -0.887 40.786 42.059 -0.642 0.000 0.913 235 L HN 0.430 nan 8.230 nan 0.000 0.440 236 T N -4.131 109.591 114.554 -1.387 0.000 3.118 236 T HA -0.057 4.293 4.350 -0.000 0.000 0.260 236 T C 1.710 176.023 174.700 -0.646 0.000 1.139 236 T CA 0.785 62.018 62.100 -1.445 0.000 1.085 236 T CB -0.192 67.862 68.868 -1.357 0.000 0.934 236 T HN 0.387 nan 8.240 nan 0.000 0.518 237 S N -0.574 114.842 115.700 -0.473 0.000 2.556 237 S HA 0.157 4.627 4.470 -0.000 0.000 0.216 237 S C 0.477 174.875 174.600 -0.337 0.000 0.970 237 S CA -0.570 57.346 58.200 -0.474 0.000 0.912 237 S CB -0.132 62.896 63.200 -0.287 0.000 0.790 237 S HN 0.441 nan 8.310 nan 0.000 0.504 238 D N 1.705 121.947 120.400 -0.263 0.000 2.451 238 D HA 0.474 5.114 4.640 -0.000 0.000 0.259 238 D C 0.778 177.026 176.300 -0.086 0.000 1.201 238 D CA 0.138 54.056 54.000 -0.137 0.000 1.028 238 D CB 1.086 41.846 40.800 -0.066 0.000 1.095 238 D HN 0.301 nan 8.370 nan 0.000 0.539 239 G N 0.313 109.087 108.800 -0.044 0.000 2.630 239 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.236 239 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.236 239 G C 1.020 175.938 174.900 0.031 0.000 1.248 239 G CA -0.288 44.795 45.100 -0.029 0.000 0.844 239 G HN 0.368 nan 8.290 nan 0.000 0.588 240 R N 0.971 121.483 120.500 0.019 0.000 2.096 240 R HA -0.058 4.282 4.340 -0.000 0.000 0.235 240 R C 2.792 179.117 176.300 0.041 0.000 1.127 240 R CA 1.373 57.507 56.100 0.057 0.000 0.968 240 R CB -1.121 29.186 30.300 0.013 0.000 0.861 240 R HN 0.460 nan 8.270 nan 0.000 0.440 241 S N 1.194 116.895 115.700 0.002 0.000 2.387 241 S HA -0.075 4.395 4.470 -0.000 0.000 0.226 241 S C 1.700 176.332 174.600 0.053 0.000 1.026 241 S CA 1.027 59.228 58.200 0.001 0.000 0.972 241 S CB 0.017 63.177 63.200 -0.067 0.000 0.814 241 S HN 0.310 nan 8.310 nan 0.000 0.477 242 E N 0.706 120.947 120.200 0.067 0.000 2.106 242 E HA -0.084 4.265 4.350 -0.000 0.000 0.192 242 E C 1.526 178.216 176.600 0.150 0.000 0.984 242 E CA 0.781 57.241 56.400 0.101 0.000 0.806 242 E CB -0.220 29.531 29.700 0.085 0.000 0.750 242 E HN 0.708 nan 8.360 nan 0.000 0.458 243 W N 0.846 122.101 121.300 -0.075 0.000 2.418 243 W HA -0.120 4.540 4.660 -0.001 0.000 0.292 243 W C 1.977 178.443 176.519 -0.088 0.000 1.213 243 W CA 0.945 58.224 57.345 -0.110 0.000 1.283 243 W CB 0.020 29.406 29.460 -0.122 0.000 1.119 243 W HN 0.145 nan 8.180 nan 0.000 0.542 244 A N 0.771 123.456 122.820 -0.224 0.000 1.902 244 A HA -0.300 4.019 4.320 -0.000 0.000 0.217 244 A C 1.905 179.331 177.584 -0.265 0.000 1.181 244 A CA 2.027 53.852 52.037 -0.353 0.000 0.623 244 A CB -1.104 17.809 19.000 -0.144 0.000 0.818 244 A HN 0.552 nan 8.150 nan 0.000 0.443 245 E N -0.226 119.899 120.200 -0.125 0.000 2.072 245 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 245 E C 2.125 178.583 176.600 -0.237 0.000 0.985 245 E CA 0.967 57.305 56.400 -0.104 0.000 0.801 245 E CB -0.242 29.468 29.700 0.018 0.000 0.750 245 E HN 0.527 nan 8.360 nan 0.000 0.452 246 A N 1.409 124.025 122.820 -0.340 0.000 1.930 246 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 246 A C 2.195 179.621 177.584 -0.264 0.000 1.175 246 A CA 1.428 53.140 52.037 -0.541 0.000 0.627 246 A CB -0.514 18.296 19.000 -0.316 0.000 0.815 246 A HN 0.221 nan 8.150 nan 0.000 0.443 247 R N -0.728 119.511 120.500 -0.436 0.000 2.096 247 R HA -0.110 4.230 4.340 -0.000 0.000 0.235 247 R C 1.993 178.146 176.300 -0.245 0.000 1.127 247 R CA 1.897 57.683 56.100 -0.524 0.000 0.968 247 R CB -0.522 29.100 30.300 -1.130 0.000 0.861 247 R HN 0.460 nan 8.270 nan 0.000 0.440 248 T N 0.194 114.610 114.554 -0.231 0.000 2.788 248 T HA -0.097 4.253 4.350 -0.000 0.000 0.268 248 T C 1.746 176.404 174.700 -0.070 0.000 1.044 248 T CA 1.414 63.436 62.100 -0.130 0.000 1.139 248 T CB -0.067 68.731 68.868 -0.117 0.000 0.867 248 T HN 0.043 nan 8.240 nan 0.000 0.454 249 V N 1.476 121.346 119.914 -0.073 0.000 2.307 249 V HA -0.109 4.011 4.120 -0.000 0.000 0.245 249 V C 2.497 178.606 176.094 0.026 0.000 1.045 249 V CA 1.389 63.684 62.300 -0.009 0.000 1.024 249 V CB -0.672 31.158 31.823 0.012 0.000 0.651 249 V HN 0.443 nan 8.190 nan 0.000 0.449 250 L N -0.156 121.087 121.223 0.033 0.000 1.990 250 L HA -0.194 4.145 4.340 -0.000 0.000 0.213 250 L C 2.454 179.390 176.870 0.111 0.000 1.072 250 L CA 1.471 56.379 54.840 0.114 0.000 0.755 250 L CB -0.764 41.403 42.059 0.181 0.000 0.889 250 L HN 0.217 nan 8.230 nan 0.000 0.432 251 V N -0.131 119.819 119.914 0.061 0.000 2.828 251 V HA -0.283 3.836 4.120 -0.000 0.000 0.260 251 V C 2.370 178.485 176.094 0.036 0.000 1.101 251 V CA 1.498 63.825 62.300 0.046 0.000 1.123 251 V CB -0.770 31.056 31.823 0.005 0.000 0.704 251 V HN 0.444 nan 8.190 nan 0.000 0.493 252 K N 0.114 120.535 120.400 0.034 0.000 2.103 252 K HA -0.137 4.183 4.320 -0.000 0.000 0.207 252 K C 1.124 177.746 176.600 0.036 0.000 1.048 252 K CA 1.034 57.338 56.287 0.029 0.000 0.930 252 K CB -0.089 32.429 32.500 0.030 0.000 0.716 252 K HN 0.544 nan 8.250 nan 0.000 0.444 253 D N -0.138 120.295 120.400 0.055 0.000 2.210 253 D HA 0.004 4.644 4.640 -0.000 0.000 0.249 253 D C 0.556 176.882 176.300 0.042 0.000 1.078 253 D CA 0.050 54.082 54.000 0.054 0.000 0.875 253 D CB 1.916 42.763 40.800 0.078 0.000 1.175 253 D HN -0.107 nan 8.370 nan 0.000 0.440 254 S N 2.506 118.219 115.700 0.021 0.000 2.382 254 S HA -0.152 4.318 4.470 -0.000 0.000 0.228 254 S C 1.653 176.244 174.600 -0.016 0.000 1.027 254 S CA 1.863 60.063 58.200 0.001 0.000 0.991 254 S CB 0.019 63.215 63.200 -0.006 0.000 0.823 254 S HN 0.657 nan 8.310 nan 0.000 0.469 255 T N 2.636 117.183 114.554 -0.012 0.000 2.737 255 T HA -0.022 4.327 4.350 -0.000 0.000 0.265 255 T C 1.770 176.421 174.700 -0.082 0.000 1.038 255 T CA 1.317 63.385 62.100 -0.054 0.000 1.144 255 T CB -0.474 68.372 68.868 -0.037 0.000 0.866 255 T HN 0.444 nan 8.240 nan 0.000 0.434 256 N N 1.204 119.923 118.700 0.032 0.000 2.166 256 N HA -0.031 4.709 4.740 -0.000 0.000 0.186 256 N C 2.022 177.571 175.510 0.066 0.000 1.019 256 N CA 0.899 54.032 53.050 0.139 0.000 0.856 256 N CB -0.266 38.426 38.487 0.341 0.000 0.993 256 N HN 0.363 nan 8.380 nan 0.000 0.426 257 R N 0.640 121.162 120.500 0.036 0.000 2.091 257 R HA -0.114 4.226 4.340 -0.000 0.000 0.238 257 R C 1.304 177.571 176.300 -0.055 0.000 1.136 257 R CA 1.514 57.619 56.100 0.008 0.000 0.959 257 R CB -0.117 30.183 30.300 -0.001 0.000 0.856 257 R HN 0.231 nan 8.270 nan 0.000 0.437 258 D N -0.431 119.910 120.400 -0.098 0.000 2.097 258 D HA -0.096 4.543 4.640 -0.000 0.000 0.195 258 D C 1.951 178.121 176.300 -0.218 0.000 0.989 258 D CA 1.381 55.296 54.000 -0.142 0.000 0.827 258 D CB -0.214 40.499 40.800 -0.146 0.000 0.966 258 D HN 0.013 nan 8.370 nan 0.000 0.456 259 S N 0.013 115.507 115.700 -0.344 0.000 2.356 259 S HA -0.069 4.401 4.470 -0.000 0.000 0.223 259 S C 2.120 176.492 174.600 -0.381 0.000 1.032 259 S CA 0.527 58.402 58.200 -0.542 0.000 1.005 259 S CB -0.301 62.174 63.200 -1.208 0.000 0.867 259 S HN 0.210 nan 8.310 nan 0.000 0.449 260 L N 1.261 122.380 121.223 -0.174 0.000 2.042 260 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 260 L C 2.440 179.209 176.870 -0.168 0.000 1.076 260 L CA 1.729 56.550 54.840 -0.032 0.000 0.749 260 L CB -0.670 41.488 42.059 0.166 0.000 0.893 260 L HN 0.323 nan 8.230 nan 0.000 0.432 261 D N -0.355 119.960 120.400 -0.142 0.000 2.123 261 D HA -0.248 4.392 4.640 -0.000 0.000 0.196 261 D C 2.242 178.461 176.300 -0.136 0.000 0.992 261 D CA 1.423 55.339 54.000 -0.139 0.000 0.833 261 D CB 0.129 40.869 40.800 -0.099 0.000 0.954 261 D HN 0.050 nan 8.370 nan 0.000 0.455 262 M N -0.005 119.509 119.600 -0.142 0.000 2.159 262 M HA -0.055 4.425 4.480 -0.000 0.000 0.263 262 M C 2.346 178.635 176.300 -0.017 0.000 1.063 262 M CA 0.974 56.241 55.300 -0.056 0.000 1.110 262 M CB -0.795 31.716 32.600 -0.148 0.000 1.374 262 M HN 0.271 nan 8.290 nan 0.000 0.411 263 I N -0.263 120.171 120.570 -0.227 0.000 2.252 263 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 263 I C 2.059 178.030 176.117 -0.243 0.000 1.102 263 I CA 1.147 62.244 61.300 -0.339 0.000 1.385 263 I CB -0.415 37.097 38.000 -0.812 0.000 1.064 263 I HN 0.340 nan 8.210 nan 0.000 0.414 264 E N 0.626 120.596 120.200 -0.383 0.000 2.265 264 E HA -0.169 4.181 4.350 -0.000 0.000 0.196 264 E C 1.670 178.179 176.600 -0.152 0.000 0.996 264 E CA 0.810 56.885 56.400 -0.542 0.000 0.832 264 E CB 0.060 29.341 29.700 -0.697 0.000 0.756 264 E HN 0.446 nan 8.360 nan 0.000 0.491 265 R N 0.127 120.577 120.500 -0.083 0.000 2.472 265 R HA 0.149 4.488 4.340 -0.000 0.000 0.279 265 R C 0.583 176.815 176.300 -0.113 0.000 0.953 265 R CA -0.201 55.884 56.100 -0.025 0.000 1.088 265 R CB 0.165 30.479 30.300 0.023 0.000 1.197 265 R HN 0.181 nan 8.270 nan 0.000 0.536 266 C N -1.335 117.862 119.300 -0.172 0.000 2.580 266 C HA 0.335 4.795 4.460 -0.000 0.000 0.371 266 C C 1.985 176.901 174.990 -0.123 0.000 1.308 266 C CA -0.856 57.931 59.018 -0.386 0.000 2.428 266 C CB 0.208 27.825 27.740 -0.206 0.000 2.529 266 C HN 0.330 nan 8.230 nan 0.000 0.657 267 I N 0.989 121.488 120.570 -0.117 0.000 2.353 267 I HA 0.065 4.235 4.170 -0.000 0.000 0.248 267 I C 1.189 177.466 176.117 0.267 0.000 1.119 267 I CA 1.773 63.112 61.300 0.066 0.000 1.417 267 I CB -0.233 37.724 38.000 -0.072 0.000 1.078 267 I HN 1.066 nan 8.210 nan 0.000 0.421 268 C N -2.545 116.877 119.300 0.203 0.000 3.056 268 C HA 0.500 4.959 4.460 -0.000 0.000 0.336 268 C C -1.275 173.855 174.990 0.233 0.000 1.356 268 C CA -1.634 57.558 59.018 0.290 0.000 1.216 268 C CB 0.370 28.416 27.740 0.509 0.000 1.391 268 C HN 0.000 nan 8.230 nan 0.000 0.445 269 L N 0.981 122.354 121.223 0.250 0.000 2.334 269 L HA 0.863 5.203 4.340 -0.000 0.000 0.272 269 L C -0.311 176.737 176.870 0.298 0.000 1.020 269 L CA -0.357 54.628 54.840 0.242 0.000 0.812 269 L CB 1.949 44.138 42.059 0.216 0.000 1.264 269 L HN 0.751 nan 8.230 nan 0.000 0.439 270 V N 0.793 120.863 119.914 0.260 0.000 2.447 270 V HA 0.300 4.420 4.120 -0.000 0.000 0.292 270 V C -0.939 175.277 176.094 0.204 0.000 1.021 270 V CA -0.732 61.720 62.300 0.254 0.000 0.850 270 V CB 1.482 33.429 31.823 0.207 0.000 1.005 270 V HN 0.779 nan 8.190 nan 0.000 0.426 271 C N 6.174 125.585 119.300 0.186 0.000 2.239 271 C HA 0.516 4.976 4.460 -0.000 0.000 0.325 271 C C 0.579 175.639 174.990 0.117 0.000 1.231 271 C CA -0.894 58.207 59.018 0.139 0.000 1.652 271 C CB -0.344 27.461 27.740 0.110 0.000 2.284 271 C HN 0.739 nan 8.230 nan 0.000 0.499 272 L N 3.593 124.869 121.223 0.089 0.000 2.375 272 L HA 0.202 4.541 4.340 -0.000 0.000 0.276 272 L C -0.075 176.826 176.870 0.052 0.000 1.162 272 L CA 0.210 55.090 54.840 0.067 0.000 0.991 272 L CB -0.577 41.500 42.059 0.030 0.000 1.315 272 L HN 0.619 nan 8.230 nan 0.000 0.431 273 D N 1.990 122.427 120.400 0.062 0.000 2.382 273 D HA 0.333 4.973 4.640 -0.000 0.000 0.245 273 D C 0.490 176.812 176.300 0.036 0.000 1.120 273 D CA 0.161 54.188 54.000 0.044 0.000 0.890 273 D CB 1.457 42.284 40.800 0.045 0.000 1.201 273 D HN 0.504 nan 8.370 nan 0.000 0.433 274 A N 3.578 126.409 122.820 0.017 0.000 2.325 274 A HA 0.386 4.706 4.320 -0.000 0.000 0.260 274 A C -2.078 175.517 177.584 0.018 0.000 1.133 274 A CA -0.823 51.221 52.037 0.011 0.000 0.801 274 A CB -0.572 18.423 19.000 -0.008 0.000 1.092 274 A HN 0.477 nan 8.150 nan 0.000 0.504 275 P HA 0.160 nan 4.420 nan 0.000 0.266 275 P C 0.316 177.623 177.300 0.012 0.000 1.195 275 P CA 0.515 63.627 63.100 0.020 0.000 0.768 275 P CB 0.147 31.858 31.700 0.018 0.000 0.838 276 G N 1.338 110.149 108.800 0.017 0.000 2.606 276 G HA2 0.361 4.321 3.960 -0.000 0.000 0.252 276 G HA3 0.361 4.321 3.960 -0.000 0.000 0.252 276 G C 1.095 175.997 174.900 0.004 0.000 1.206 276 G CA -0.105 45.002 45.100 0.010 0.000 0.861 276 G HN 0.565 nan 8.290 nan 0.000 0.561 277 G N -1.167 107.626 108.800 -0.012 0.000 2.709 277 G HA2 0.333 4.293 3.960 -0.000 0.000 0.208 277 G HA3 0.333 4.293 3.960 -0.000 0.000 0.208 277 G C 0.755 175.649 174.900 -0.011 0.000 1.129 277 G CA 0.905 45.998 45.100 -0.012 0.000 0.793 277 G HN 0.987 nan 8.290 nan 0.000 0.524 278 V N -1.752 118.141 119.914 -0.036 0.000 3.336 278 V HA 0.559 4.679 4.120 -0.000 0.000 0.314 278 V C 0.195 176.345 176.094 0.094 0.000 1.088 278 V CA -1.357 60.927 62.300 -0.026 0.000 1.033 278 V CB 1.359 33.000 31.823 -0.303 0.000 1.181 278 V HN 0.210 nan 8.190 nan 0.000 0.449 279 E N -0.044 120.293 120.200 0.229 0.000 2.398 279 E HA 0.170 4.520 4.350 -0.000 0.000 0.263 279 E C -0.031 176.720 176.600 0.253 0.000 1.046 279 E CA -0.434 56.093 56.400 0.212 0.000 0.908 279 E CB 0.867 30.671 29.700 0.173 0.000 0.963 279 E HN 0.709 nan 8.360 nan 0.000 0.431 280 L N 4.132 125.436 121.223 0.135 0.000 2.873 280 L HA 0.042 4.381 4.340 -0.000 0.000 0.252 280 L C 0.819 177.747 176.870 0.096 0.000 1.266 280 L CA -0.377 54.531 54.840 0.112 0.000 1.111 280 L CB -1.162 40.932 42.059 0.058 0.000 1.440 280 L HN 0.432 nan 8.230 nan 0.000 0.427 281 S N -2.352 113.394 115.700 0.077 0.000 2.606 281 S HA 0.016 4.485 4.470 -0.000 0.000 0.257 281 S C 0.917 175.570 174.600 0.087 0.000 1.327 281 S CA -0.621 57.589 58.200 0.016 0.000 0.984 281 S CB 1.128 64.255 63.200 -0.122 0.000 0.941 281 S HN 0.203 nan 8.310 nan 0.000 0.576 282 D N 1.050 121.503 120.400 0.088 0.000 2.117 282 D HA -0.044 4.596 4.640 -0.000 0.000 0.197 282 D C 2.017 178.487 176.300 0.284 0.000 0.987 282 D CA 1.717 55.842 54.000 0.208 0.000 0.829 282 D CB -0.902 39.930 40.800 0.053 0.000 0.961 282 D HN 0.703 nan 8.370 nan 0.000 0.460 283 T N -0.411 114.232 114.554 0.149 0.000 2.777 283 T HA -0.118 4.232 4.350 -0.000 0.000 0.266 283 T C 1.687 176.610 174.700 0.371 0.000 1.040 283 T CA 1.069 63.324 62.100 0.257 0.000 1.141 283 T CB -0.344 68.570 68.868 0.078 0.000 0.868 283 T HN 0.417 nan 8.240 nan 0.000 0.444 284 H N 0.543 119.725 119.070 0.187 0.000 2.357 284 H HA 0.086 4.642 4.556 -0.000 0.000 0.301 284 H C 2.732 178.126 175.328 0.110 0.000 1.082 284 H CA 0.701 56.834 56.048 0.142 0.000 1.342 284 H CB 0.152 29.977 29.762 0.105 0.000 1.389 284 H HN 0.179 nan 8.280 nan 0.000 0.511 285 R N 0.547 121.196 120.500 0.248 0.000 2.096 285 R HA -0.087 4.253 4.340 -0.000 0.000 0.235 285 R C 2.567 178.915 176.300 0.080 0.000 1.127 285 R CA 0.884 57.065 56.100 0.134 0.000 0.968 285 R CB -0.178 30.192 30.300 0.118 0.000 0.861 285 R HN 0.250 nan 8.270 nan 0.000 0.440 286 A N 1.383 124.308 122.820 0.174 0.000 1.902 286 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 286 A C 2.190 179.699 177.584 -0.125 0.000 1.181 286 A CA 1.050 53.129 52.037 0.070 0.000 0.623 286 A CB -0.498 18.714 19.000 0.352 0.000 0.818 286 A HN 0.165 nan 8.150 nan 0.000 0.443 287 L N -0.896 120.297 121.223 -0.050 0.000 2.042 287 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 287 L C 2.902 179.583 176.870 -0.315 0.000 1.076 287 L CA 1.938 56.641 54.840 -0.227 0.000 0.749 287 L CB -0.560 41.521 42.059 0.037 0.000 0.893 287 L HN 0.595 nan 8.230 nan 0.000 0.432 288 Q N -0.186 119.555 119.800 -0.098 0.000 2.119 288 Q HA -0.188 4.151 4.340 -0.000 0.000 0.201 288 Q C 2.261 178.212 176.000 -0.081 0.000 0.972 288 Q CA 1.076 56.849 55.803 -0.049 0.000 0.847 288 Q CB 0.186 28.923 28.738 -0.002 0.000 0.903 288 Q HN 0.405 nan 8.270 nan 0.000 0.433 289 L N 0.428 121.575 121.223 -0.126 0.000 2.217 289 L HA -0.075 4.264 4.340 -0.000 0.000 0.211 289 L C 2.120 178.912 176.870 -0.130 0.000 1.107 289 L CA 1.043 55.803 54.840 -0.134 0.000 0.783 289 L CB -0.721 41.227 42.059 -0.185 0.000 0.919 289 L HN 0.378 nan 8.230 nan 0.000 0.442 290 L N -0.645 120.438 121.223 -0.232 0.000 2.049 290 L HA -0.173 4.167 4.340 -0.000 0.000 0.203 290 L C 1.602 178.423 176.870 -0.082 0.000 1.074 290 L CA 1.218 55.919 54.840 -0.231 0.000 0.749 290 L CB -0.239 41.563 42.059 -0.429 0.000 0.907 290 L HN 0.502 nan 8.230 nan 0.000 0.439 291 H N -3.276 115.817 119.070 0.037 0.000 3.007 291 H HA 0.378 4.934 4.556 -0.000 0.000 0.251 291 H C 1.019 176.398 175.328 0.085 0.000 1.188 291 H CA -0.361 55.730 56.048 0.071 0.000 1.017 291 H CB -0.229 29.548 29.762 0.024 0.000 1.805 291 H HN 0.136 nan 8.280 nan 0.000 0.659 292 G N 0.534 109.460 108.800 0.211 0.000 2.205 292 G HA2 -0.193 3.766 3.960 -0.000 0.000 0.269 292 G HA3 -0.193 3.766 3.960 -0.000 0.000 0.269 292 G C 1.489 176.510 174.900 0.201 0.000 0.977 292 G CA 1.092 46.294 45.100 0.170 0.000 0.652 292 G HN 1.670 nan 8.290 nan 0.000 0.539 293 G N -1.699 107.348 108.800 0.411 0.000 2.143 293 G HA2 0.417 4.376 3.960 -0.000 0.000 0.249 293 G HA3 0.417 4.376 3.960 -0.000 0.000 0.249 293 G C 1.559 176.500 174.900 0.069 0.000 0.981 293 G CA 0.597 45.839 45.100 0.237 0.000 0.665 293 G HN 2.965 nan 8.290 nan 0.000 0.528 294 G N -2.140 106.696 108.800 0.060 0.000 2.712 294 G HA2 0.112 4.071 3.960 -0.000 0.000 0.683 294 G HA3 0.112 4.071 3.960 -0.000 0.000 0.683 294 G C 0.239 175.188 174.900 0.083 0.000 1.320 294 G CA 0.462 45.579 45.100 0.029 0.000 0.847 294 G HN 1.548 nan 8.290 nan 0.000 0.553 295 Y N 1.328 121.621 120.300 -0.011 0.000 2.151 295 Y HA -0.181 4.369 4.550 -0.001 0.000 0.284 295 Y C 3.200 179.101 175.900 0.003 0.000 1.166 295 Y CA 3.296 61.395 58.100 -0.003 0.000 1.163 295 Y CB -0.623 37.829 38.460 -0.014 0.000 0.974 295 Y HN 1.162 nan 8.280 nan 0.000 0.511 296 S N -0.534 115.054 115.700 -0.187 0.000 2.440 296 S HA -0.138 4.332 4.470 -0.000 0.000 0.238 296 S C 1.562 176.038 174.600 -0.206 0.000 1.010 296 S CA 1.000 59.048 58.200 -0.253 0.000 0.972 296 S CB -0.157 62.988 63.200 -0.093 0.000 0.774 296 S HN 0.307 nan 8.310 nan 0.000 0.501 297 K N 1.371 121.698 120.400 -0.122 0.000 4.183 297 K HA 0.342 4.662 4.320 -0.000 0.000 0.171 297 K C 0.623 177.187 176.600 -0.060 0.000 1.146 297 K CA -0.062 56.184 56.287 -0.069 0.000 1.795 297 K CB -0.617 31.876 32.500 -0.010 0.000 2.483 297 K HN 0.215 nan 8.250 nan 0.000 0.523 298 N N 0.697 119.399 118.700 0.003 0.000 2.234 298 N HA 0.087 4.827 4.740 -0.000 0.000 0.227 298 N C 1.202 176.757 175.510 0.076 0.000 1.151 298 N CA 0.121 53.187 53.050 0.026 0.000 0.865 298 N CB 0.874 39.382 38.487 0.034 0.000 1.066 298 N HN 0.459 nan 8.380 nan 0.000 0.515 299 G N 0.756 109.615 108.800 0.098 0.000 2.462 299 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.220 299 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.220 299 G C 1.313 176.324 174.900 0.184 0.000 1.121 299 G CA 0.992 46.186 45.100 0.157 0.000 0.758 299 G HN 0.352 nan 8.290 nan 0.000 0.559 300 A N -0.055 122.878 122.820 0.187 0.000 2.267 300 A HA 0.250 4.570 4.320 -0.000 0.000 0.213 300 A C 1.425 179.112 177.584 0.170 0.000 1.192 300 A CA 0.092 52.250 52.037 0.202 0.000 0.851 300 A CB -0.052 19.131 19.000 0.305 0.000 0.881 300 A HN 0.264 nan 8.150 nan 0.000 0.494 301 N N 1.411 120.179 118.700 0.113 0.000 3.111 301 N HA 0.100 4.840 4.740 -0.000 0.000 0.302 301 N C -0.157 175.436 175.510 0.139 0.000 1.317 301 N CA 0.153 53.247 53.050 0.072 0.000 1.151 301 N CB -0.268 38.239 38.487 0.033 0.000 1.456 301 N HN 0.293 nan 8.380 nan 0.000 0.547 302 R N -0.426 120.212 120.500 0.230 0.000 2.766 302 R HA 0.393 4.733 4.340 -0.000 0.000 0.270 302 R C -1.526 174.911 176.300 0.228 0.000 1.035 302 R CA -0.667 55.491 56.100 0.097 0.000 0.911 302 R CB 1.283 31.423 30.300 -0.266 0.000 1.243 302 R HN 0.202 nan 8.270 nan 0.000 0.460 303 W N 1.592 122.747 121.300 -0.241 0.000 2.916 303 W HA 0.210 4.870 4.660 0.000 0.000 0.317 303 W C -0.913 175.454 176.519 -0.253 0.000 1.047 303 W CA -0.484 56.760 57.345 -0.169 0.000 1.234 303 W CB 0.585 29.990 29.460 -0.090 0.000 1.143 303 W HN 0.681 nan 8.180 nan 0.000 0.372 304 Y N 1.664 121.851 120.300 -0.188 0.000 2.457 304 Y HA -0.117 4.433 4.550 -0.000 0.000 0.292 304 Y C 2.039 177.880 175.900 -0.098 0.000 1.125 304 Y CA 1.248 59.275 58.100 -0.122 0.000 1.254 304 Y CB 0.101 38.443 38.460 -0.198 0.000 1.012 304 Y HN 0.158 nan 8.280 nan 0.000 0.555 305 D N 0.321 120.742 120.400 0.036 0.000 2.218 305 D HA -0.109 4.531 4.640 -0.000 0.000 0.204 305 D C 0.898 177.037 176.300 -0.268 0.000 0.976 305 D CA 1.047 54.930 54.000 -0.194 0.000 0.853 305 D CB -0.130 40.427 40.800 -0.404 0.000 0.939 305 D HN 0.037 nan 8.370 nan 0.000 0.481 306 K N 0.784 121.237 120.400 0.088 0.000 2.322 306 K HA 0.128 4.448 4.320 -0.000 0.000 0.283 306 K C 1.016 177.641 176.600 0.042 0.000 1.042 306 K CA -0.022 56.348 56.287 0.138 0.000 0.958 306 K CB 0.843 33.509 32.500 0.276 0.000 0.984 306 K HN -0.283 nan 8.250 nan 0.000 0.473 307 S N 3.118 118.842 115.700 0.039 0.000 2.365 307 S HA -0.119 4.351 4.470 -0.000 0.000 0.225 307 S C 0.477 175.076 174.600 -0.001 0.000 1.039 307 S CA 1.085 59.285 58.200 -0.001 0.000 1.033 307 S CB -0.287 62.984 63.200 0.119 0.000 0.887 307 S HN 0.516 nan 8.310 nan 0.000 0.447 308 L N 1.408 122.644 121.223 0.022 0.000 2.349 308 L HA 0.454 4.794 4.340 -0.000 0.000 0.278 308 L C -0.695 176.067 176.870 -0.180 0.000 0.996 308 L CA -0.309 54.441 54.840 -0.150 0.000 0.825 308 L CB 1.707 43.664 42.059 -0.169 0.000 1.243 308 L HN 0.088 nan 8.230 nan 0.000 0.412 309 Q N 3.766 123.387 119.800 -0.299 0.000 2.363 309 Q HA 0.447 4.787 4.340 -0.000 0.000 0.265 309 Q C -1.379 174.478 176.000 -0.238 0.000 1.032 309 Q CA -0.421 55.289 55.803 -0.154 0.000 0.746 309 Q CB 1.952 30.615 28.738 -0.125 0.000 1.237 309 Q HN 0.389 nan 8.270 nan 0.000 0.475 310 F N 1.368 121.376 119.950 0.098 0.000 2.420 310 F HA 0.309 4.836 4.527 -0.000 0.000 0.352 310 F C 0.281 176.134 175.800 0.089 0.000 1.108 310 F CA -0.775 57.288 58.000 0.106 0.000 1.162 310 F CB 0.937 40.046 39.000 0.183 0.000 1.118 310 F HN 0.145 nan 8.300 nan 0.000 0.510 311 V N 4.518 124.540 119.914 0.182 0.000 2.427 311 V HA 0.416 4.535 4.120 -0.000 0.000 0.286 311 V C -0.361 175.846 176.094 0.189 0.000 1.034 311 V CA -0.723 61.653 62.300 0.126 0.000 0.893 311 V CB 1.674 33.503 31.823 0.011 0.000 0.982 311 V HN 0.490 nan 8.190 nan 0.000 0.452 312 V N 4.515 124.553 119.914 0.207 0.000 2.380 312 V HA 0.480 4.599 4.120 -0.000 0.000 0.268 312 V C 0.766 176.980 176.094 0.200 0.000 1.008 312 V CA -0.460 61.996 62.300 0.259 0.000 0.823 312 V CB 1.197 33.216 31.823 0.327 0.000 1.053 312 V HN 0.949 nan 8.190 nan 0.000 0.446 313 G N 1.946 110.845 108.800 0.165 0.000 2.483 313 G HA2 0.299 4.259 3.960 -0.000 0.000 0.248 313 G HA3 0.299 4.259 3.960 -0.000 0.000 0.248 313 G C 0.755 175.791 174.900 0.228 0.000 1.248 313 G CA -0.279 44.902 45.100 0.136 0.000 0.838 313 G HN 0.682 nan 8.290 nan 0.000 0.566 314 R N 0.630 121.227 120.500 0.162 0.000 2.120 314 R HA -0.124 4.215 4.340 -0.000 0.000 0.234 314 R C 1.817 178.249 176.300 0.221 0.000 1.123 314 R CA 2.170 58.382 56.100 0.187 0.000 0.975 314 R CB -0.113 30.240 30.300 0.089 0.000 0.866 314 R HN 0.631 nan 8.270 nan 0.000 0.446 315 D N -1.915 118.551 120.400 0.108 0.000 2.340 315 D HA 0.118 4.757 4.640 -0.000 0.000 0.220 315 D C 0.968 177.212 176.300 -0.093 0.000 1.039 315 D CA 0.759 54.779 54.000 0.034 0.000 0.866 315 D CB 0.078 40.892 40.800 0.025 0.000 0.913 315 D HN 0.390 nan 8.370 nan 0.000 0.523 316 G N -0.538 108.145 108.800 -0.195 0.000 2.184 316 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.206 316 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.206 316 G C 0.270 174.968 174.900 -0.337 0.000 0.995 316 G CA 0.063 44.796 45.100 -0.612 0.000 0.651 316 G HN 0.379 nan 8.290 nan 0.000 0.511 317 T N 1.538 116.013 114.554 -0.131 0.000 2.727 317 T HA 0.497 4.846 4.350 -0.000 0.000 0.295 317 T C 0.236 174.901 174.700 -0.058 0.000 0.915 317 T CA 0.486 62.541 62.100 -0.075 0.000 1.066 317 T CB 0.719 69.572 68.868 -0.024 0.000 0.891 317 T HN 0.487 nan 8.240 nan 0.000 0.516 318 C N 2.731 121.984 119.300 -0.078 0.000 2.889 318 C HA 1.047 5.507 4.460 -0.000 0.000 0.307 318 C C 0.929 175.718 174.990 -0.336 0.000 1.251 318 C CA -0.542 58.452 59.018 -0.040 0.000 1.593 318 C CB 1.394 29.219 27.740 0.141 0.000 2.104 318 C HN 1.137 nan 8.230 nan 0.000 0.476 319 G N -0.456 107.972 108.800 -0.620 0.000 2.336 319 G HA2 0.499 4.459 3.960 -0.000 0.000 0.286 319 G HA3 0.499 4.459 3.960 -0.000 0.000 0.286 319 G C -2.071 172.401 174.900 -0.713 0.000 1.269 319 G CA 0.242 44.508 45.100 -1.389 0.000 0.873 319 G HN 1.408 nan 8.290 nan 0.000 0.494 320 V N -0.273 119.318 119.914 -0.538 0.000 2.733 320 V HA 0.682 4.802 4.120 -0.000 0.000 0.306 320 V C -0.919 175.015 176.094 -0.267 0.000 1.084 320 V CA -0.640 61.463 62.300 -0.328 0.000 0.905 320 V CB 1.728 33.368 31.823 -0.305 0.000 1.010 320 V HN 0.984 nan 8.190 nan 0.000 0.424 321 V N 6.146 125.916 119.914 -0.240 0.000 2.407 321 V HA 0.451 4.571 4.120 -0.000 0.000 0.278 321 V C 0.203 176.201 176.094 -0.159 0.000 1.037 321 V CA -0.368 61.841 62.300 -0.153 0.000 0.900 321 V CB 1.248 33.004 31.823 -0.112 0.000 0.983 321 V HN 1.022 nan 8.190 nan 0.000 0.459 322 C N 5.279 124.508 119.300 -0.119 0.000 2.351 322 C HA 0.512 4.971 4.460 -0.000 0.000 0.326 322 C C 0.029 174.920 174.990 -0.166 0.000 1.272 322 C CA -0.579 58.350 59.018 -0.148 0.000 1.650 322 C CB 0.824 28.475 27.740 -0.149 0.000 2.257 322 C HN 0.941 nan 8.230 nan 0.000 0.505 323 E N 3.457 123.530 120.200 -0.212 0.000 2.152 323 E HA 0.119 4.469 4.350 -0.000 0.000 0.285 323 E C 0.672 177.000 176.600 -0.455 0.000 1.043 323 E CA 0.138 56.401 56.400 -0.227 0.000 0.839 323 E CB 0.401 29.995 29.700 -0.177 0.000 1.069 323 E HN 0.897 nan 8.360 nan 0.000 0.399 324 H N 3.030 121.801 119.070 -0.498 0.000 2.428 324 H HA -0.104 4.451 4.556 -0.000 0.000 0.296 324 H C 1.934 176.672 175.328 -0.983 0.000 1.062 324 H CA 1.628 57.258 56.048 -0.696 0.000 1.350 324 H CB 0.370 29.802 29.762 -0.551 0.000 1.403 324 H HN 0.559 nan 8.280 nan 0.000 0.533 325 S N 0.674 115.860 115.700 -0.856 0.000 2.372 325 S HA -0.124 4.346 4.470 -0.000 0.000 0.227 325 S C -0.573 173.840 174.600 -0.311 0.000 1.044 325 S CA 1.459 59.231 58.200 -0.713 0.000 1.050 325 S CB -1.343 61.634 63.200 -0.371 0.000 0.901 325 S HN 0.334 nan 8.310 nan 0.000 0.447 326 P HA 0.212 nan 4.420 nan 0.000 0.221 326 P C 0.279 177.598 177.300 0.032 0.000 1.150 326 P CA 0.756 63.788 63.100 -0.113 0.000 0.800 326 P CB -0.191 31.477 31.700 -0.053 0.000 0.787 327 F N -4.168 115.760 119.950 -0.038 0.000 2.741 327 F HA 0.559 5.086 4.527 -0.001 0.000 0.311 327 F C -1.016 174.773 175.800 -0.018 0.000 1.149 327 F CA -1.502 56.469 58.000 -0.047 0.000 0.930 327 F CB 0.361 39.271 39.000 -0.150 0.000 1.312 327 F HN -0.390 nan 8.300 nan 0.000 0.450 328 D N 0.085 120.629 120.400 0.240 0.000 2.549 328 D HA 0.342 4.981 4.640 -0.000 0.000 0.270 328 D C 1.186 177.562 176.300 0.126 0.000 1.181 328 D CA -0.069 54.053 54.000 0.204 0.000 1.070 328 D CB 1.269 42.219 40.800 0.250 0.000 1.154 328 D HN 0.876 nan 8.370 nan 0.000 0.602 329 G N 0.325 109.189 108.800 0.107 0.000 2.469 329 G HA2 -0.229 3.730 3.960 -0.000 0.000 0.219 329 G HA3 -0.229 3.730 3.960 -0.000 0.000 0.219 329 G C 1.475 176.414 174.900 0.065 0.000 1.150 329 G CA 0.565 45.712 45.100 0.079 0.000 0.763 329 G HN 0.370 nan 8.290 nan 0.000 0.561 330 I N 0.763 121.367 120.570 0.056 0.000 2.127 330 I HA -0.129 4.041 4.170 -0.000 0.000 0.241 330 I C 2.981 179.100 176.117 0.002 0.000 1.075 330 I CA 0.853 62.176 61.300 0.038 0.000 1.334 330 I CB -1.251 36.771 38.000 0.037 0.000 1.040 330 I HN 0.055 nan 8.210 nan 0.000 0.405 331 V N 0.828 120.690 119.914 -0.087 0.000 2.427 331 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 331 V C 2.511 178.489 176.094 -0.193 0.000 1.051 331 V CA 1.228 63.365 62.300 -0.272 0.000 1.048 331 V CB -0.605 30.860 31.823 -0.596 0.000 0.666 331 V HN 0.336 nan 8.190 nan 0.000 0.456 332 L N -0.087 121.095 121.223 -0.067 0.000 2.046 332 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 332 L C 2.308 179.178 176.870 -0.000 0.000 1.077 332 L CA 1.937 56.766 54.840 -0.018 0.000 0.747 332 L CB -0.492 41.643 42.059 0.126 0.000 0.896 332 L HN 0.111 nan 8.230 nan 0.000 0.432 333 V N -0.311 119.621 119.914 0.029 0.000 2.379 333 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 333 V C 2.675 178.790 176.094 0.035 0.000 1.044 333 V CA 1.570 63.900 62.300 0.050 0.000 1.036 333 V CB -0.635 31.226 31.823 0.063 0.000 0.664 333 V HN 0.519 nan 8.190 nan 0.000 0.453 334 Q N -0.880 118.947 119.800 0.045 0.000 2.096 334 Q HA -0.253 4.087 4.340 -0.000 0.000 0.204 334 Q C 2.482 178.471 176.000 -0.018 0.000 0.982 334 Q CA 2.113 57.965 55.803 0.082 0.000 0.850 334 Q CB -1.068 27.789 28.738 0.197 0.000 0.901 334 Q HN 0.743 nan 8.270 nan 0.000 0.422 335 C N 0.502 119.713 119.300 -0.148 0.000 2.453 335 C HA -0.109 4.351 4.460 -0.000 0.000 0.277 335 C C 2.826 177.620 174.990 -0.327 0.000 1.262 335 C CA 1.479 60.155 59.018 -0.570 0.000 1.718 335 C CB -0.909 26.578 27.740 -0.423 0.000 2.031 335 C HN 0.514 nan 8.230 nan 0.000 0.480 336 T N 0.501 115.013 114.554 -0.071 0.000 2.708 336 T HA -0.167 4.183 4.350 -0.000 0.000 0.266 336 T C 1.660 176.333 174.700 -0.044 0.000 1.037 336 T CA 1.990 64.117 62.100 0.045 0.000 1.146 336 T CB -0.410 68.564 68.868 0.176 0.000 0.865 336 T HN 0.681 nan 8.240 nan 0.000 0.435 337 E N -0.265 119.922 120.200 -0.022 0.000 2.204 337 E HA -0.163 4.186 4.350 -0.000 0.000 0.194 337 E C 2.010 178.599 176.600 -0.019 0.000 0.989 337 E CA 0.912 57.295 56.400 -0.027 0.000 0.824 337 E CB -0.128 29.580 29.700 0.014 0.000 0.756 337 E HN 0.662 nan 8.360 nan 0.000 0.477 338 H N 0.651 119.656 119.070 -0.109 0.000 2.357 338 H HA -0.048 4.508 4.556 -0.001 0.000 0.301 338 H C 1.998 177.285 175.328 -0.068 0.000 1.082 338 H CA 1.236 57.248 56.048 -0.060 0.000 1.342 338 H CB 0.033 29.762 29.762 -0.056 0.000 1.389 338 H HN 0.016 nan 8.280 nan 0.000 0.511 339 L N 0.123 121.341 121.223 -0.009 0.000 1.943 339 L HA -0.217 4.123 4.340 -0.000 0.000 0.215 339 L C 2.585 179.370 176.870 -0.141 0.000 1.074 339 L CA 1.517 56.302 54.840 -0.092 0.000 0.759 339 L CB -0.823 41.137 42.059 -0.166 0.000 0.888 339 L HN 0.331 nan 8.230 nan 0.000 0.433 340 L N 0.002 121.102 121.223 -0.204 0.000 2.051 340 L HA -0.306 4.033 4.340 -0.000 0.000 0.214 340 L C 2.780 179.565 176.870 -0.141 0.000 1.076 340 L CA 1.756 56.461 54.840 -0.224 0.000 0.758 340 L CB -0.691 41.200 42.059 -0.281 0.000 0.890 340 L HN 0.362 nan 8.230 nan 0.000 0.433 341 K N -0.783 119.543 120.400 -0.125 0.000 2.057 341 K HA -0.245 4.075 4.320 -0.000 0.000 0.206 341 K C 2.339 178.863 176.600 -0.127 0.000 1.050 341 K CA 1.247 57.465 56.287 -0.115 0.000 0.935 341 K CB -0.241 32.189 32.500 -0.116 0.000 0.715 341 K HN 0.369 nan 8.250 nan 0.000 0.439 342 H N 0.616 119.531 119.070 -0.259 0.000 2.457 342 H HA -0.081 4.475 4.556 -0.001 0.000 0.297 342 H C 1.651 176.873 175.328 -0.176 0.000 1.092 342 H CA 1.700 57.606 56.048 -0.236 0.000 1.309 342 H CB 0.076 29.682 29.762 -0.260 0.000 1.382 342 H HN 0.277 nan 8.280 nan 0.000 0.535 343 M N 0.102 119.685 119.600 -0.028 0.000 2.492 343 M HA -0.070 4.410 4.480 -0.000 0.000 0.262 343 M C 2.097 178.326 176.300 -0.117 0.000 1.090 343 M CA 1.475 56.725 55.300 -0.082 0.000 1.110 343 M CB 0.124 32.625 32.600 -0.166 0.000 1.407 343 M HN 0.282 nan 8.290 nan 0.000 0.470 344 T N -2.280 112.204 114.554 -0.116 0.000 3.113 344 T HA 0.070 4.420 4.350 -0.000 0.000 0.256 344 T C 0.626 175.256 174.700 -0.117 0.000 1.131 344 T CA 0.015 62.059 62.100 -0.092 0.000 1.074 344 T CB -0.046 68.781 68.868 -0.069 0.000 0.944 344 T HN 0.357 nan 8.240 nan 0.000 0.516 345 Q N 2.668 122.357 119.800 -0.186 0.000 2.230 345 Q HA 0.409 4.749 4.340 -0.000 0.000 0.248 345 Q C -2.043 173.846 176.000 -0.185 0.000 0.915 345 Q CA -2.409 53.275 55.803 -0.199 0.000 0.900 345 Q CB 0.818 29.385 28.738 -0.286 0.000 1.229 345 Q HN 0.280 nan 8.270 nan 0.000 0.439 350 L N 3.595 124.783 121.223 -0.058 0.000 2.410 350 L HA 0.248 4.588 4.340 -0.000 0.000 0.273 350 L C 0.331 177.189 176.870 -0.021 0.000 1.152 350 L CA -0.660 54.159 54.840 -0.036 0.000 0.855 350 L CB 0.850 42.894 42.059 -0.025 0.000 1.129 350 L HN 0.362 nan 8.230 nan 0.000 0.463 351 V N 4.943 124.845 119.914 -0.020 0.000 2.458 351 V HA 0.051 4.171 4.120 -0.000 0.000 0.287 351 V C 0.491 176.581 176.094 -0.006 0.000 1.009 351 V CA 0.068 62.359 62.300 -0.014 0.000 1.091 351 V CB -0.132 31.682 31.823 -0.015 0.000 0.960 351 V HN 0.620 nan 8.190 nan 0.000 0.476 352 R N 3.098 123.596 120.500 -0.003 0.000 2.562 352 R HA 0.461 4.801 4.340 -0.000 0.000 0.298 352 R C -0.130 176.172 176.300 0.003 0.000 0.961 352 R CA -0.538 55.563 56.100 0.003 0.000 0.881 352 R CB 1.923 32.227 30.300 0.007 0.000 1.159 352 R HN 0.650 nan 8.270 nan 0.000 0.450 353 S N 3.797 119.500 115.700 0.005 0.000 2.528 353 S HA 0.295 4.765 4.470 -0.000 0.000 0.277 353 S C -1.831 172.774 174.600 0.008 0.000 1.297 353 S CA -1.101 57.102 58.200 0.005 0.000 1.052 353 S CB 0.356 63.559 63.200 0.005 0.000 0.917 353 S HN 0.311 nan 8.310 nan 0.000 0.492 354 P HA 0.014 nan 4.420 nan 0.000 0.266 354 P C -0.695 176.611 177.300 0.010 0.000 1.193 354 P CA 0.204 63.311 63.100 0.011 0.000 0.770 354 P CB 0.322 32.028 31.700 0.010 0.000 0.836 355 M N 1.675 121.282 119.600 0.011 0.000 2.336 355 M HA 0.365 4.845 4.480 -0.000 0.000 0.342 355 M C -0.859 175.445 176.300 0.008 0.000 1.128 355 M CA -0.895 54.411 55.300 0.010 0.000 1.016 355 M CB 2.116 34.722 32.600 0.011 0.000 1.665 355 M HN 0.052 nan 8.290 nan 0.000 0.445 356 V N 4.967 124.884 119.914 0.006 0.000 2.488 356 V HA 0.414 4.534 4.120 -0.000 0.000 0.293 356 V C -1.769 174.327 176.094 0.004 0.000 1.027 356 V CA -1.066 61.236 62.300 0.004 0.000 0.862 356 V CB 1.596 33.421 31.823 0.004 0.000 1.008 356 V HN 0.806 nan 8.190 nan 0.000 0.428 360 P HA 0.451 nan 4.420 nan 0.000 0.275 360 P C -0.683 176.615 177.300 -0.005 0.000 1.228 360 P CA -0.440 62.657 63.100 -0.004 0.000 0.786 360 P CB 1.273 32.971 31.700 -0.003 0.000 0.927 361 A N 5.155 127.973 122.820 -0.003 0.000 2.451 361 A HA 0.366 4.686 4.320 -0.000 0.000 0.266 361 A C -1.682 175.914 177.584 0.020 0.000 1.119 361 A CA -1.089 50.948 52.037 -0.000 0.000 0.786 361 A CB -1.140 17.862 19.000 0.004 0.000 1.061 361 A HN 0.465 nan 8.150 nan 0.000 0.503 362 P HA 0.030 nan 4.420 nan 0.000 0.266 362 P C -0.598 176.792 177.300 0.151 0.000 1.186 362 P CA 0.334 63.480 63.100 0.075 0.000 0.767 362 P CB 0.425 32.155 31.700 0.051 0.000 0.820 363 R N 1.695 122.272 120.500 0.128 0.000 2.265 363 R HA 0.339 4.679 4.340 -0.000 0.000 0.319 363 R C 0.797 177.135 176.300 0.062 0.000 1.006 363 R CA -0.719 55.429 56.100 0.081 0.000 0.880 363 R CB 1.127 31.413 30.300 -0.024 0.000 1.077 363 R HN 0.461 nan 8.270 nan 0.000 0.454 364 R N 3.879 124.354 120.500 -0.040 0.000 2.438 364 R HA 0.167 4.506 4.340 -0.000 0.000 0.287 364 R C -0.574 175.508 176.300 -0.362 0.000 1.077 364 R CA -0.346 55.449 56.100 -0.509 0.000 1.034 364 R CB 0.561 30.560 30.300 -0.502 0.000 0.993 364 R HN 0.532 nan 8.270 nan 0.000 0.459 365 L N 5.825 126.805 121.223 -0.405 0.000 2.313 365 L HA 0.301 4.641 4.340 -0.000 0.000 0.282 365 L C 0.659 177.218 176.870 -0.518 0.000 1.092 365 L CA -0.131 54.451 54.840 -0.430 0.000 0.831 365 L CB 0.832 42.631 42.059 -0.434 0.000 1.159 365 L HN 0.572 nan 8.230 nan 0.000 0.442 366 R N 2.681 122.880 120.500 -0.502 0.000 2.500 366 R HA 0.446 4.786 4.340 -0.000 0.000 0.277 366 R C -1.389 174.594 176.300 -0.529 0.000 1.026 366 R CA -0.387 55.497 56.100 -0.359 0.000 1.058 366 R CB 1.224 31.412 30.300 -0.186 0.000 1.078 366 R HN 0.460 nan 8.270 nan 0.000 0.509 367 W N 0.779 122.098 121.300 0.031 0.000 2.915 367 W HA 0.287 4.947 4.660 0.001 0.000 0.337 367 W C -0.292 176.256 176.519 0.049 0.000 1.102 367 W CA -0.897 56.482 57.345 0.056 0.000 1.224 367 W CB 1.425 30.944 29.460 0.097 0.000 1.416 367 W HN 0.200 nan 8.180 nan 0.000 0.503 368 K N 3.092 123.674 120.400 0.303 0.000 2.296 368 K HA 0.398 4.718 4.320 -0.000 0.000 0.257 368 K C -0.382 176.329 176.600 0.184 0.000 1.088 368 K CA -0.327 56.071 56.287 0.185 0.000 0.980 368 K CB -0.028 32.548 32.500 0.127 0.000 1.430 368 K HN 0.588 nan 8.250 nan 0.000 0.441 369 C N 3.200 122.598 119.300 0.163 0.000 2.705 369 C HA 0.713 5.173 4.460 -0.000 0.000 0.365 369 C C 0.174 175.219 174.990 0.092 0.000 1.353 369 C CA 0.310 59.401 59.018 0.121 0.000 2.339 369 C CB -0.351 27.448 27.740 0.099 0.000 2.576 369 C HN 1.019 nan 8.230 nan 0.000 0.716 370 S N 2.029 117.776 115.700 0.078 0.000 2.656 370 S HA 0.564 5.034 4.470 -0.000 0.000 0.273 370 S C -2.535 172.096 174.600 0.052 0.000 1.168 370 S CA -0.828 57.411 58.200 0.065 0.000 0.817 370 S CB 1.390 64.633 63.200 0.072 0.000 1.146 370 S HN 0.446 nan 8.310 nan 0.000 0.475 371 P HA 0.039 nan 4.420 nan 0.000 0.219 371 P C 1.065 178.375 177.300 0.016 0.000 1.150 371 P CA 1.077 64.190 63.100 0.021 0.000 0.814 371 P CB 0.078 31.786 31.700 0.014 0.000 0.787 372 E N -0.499 119.726 120.200 0.041 0.000 2.017 372 E HA -0.143 4.206 4.350 -0.000 0.000 0.193 372 E C 1.971 178.646 176.600 0.124 0.000 0.997 372 E CA 0.944 57.377 56.400 0.056 0.000 0.804 372 E CB -0.572 29.201 29.700 0.123 0.000 0.757 372 E HN 0.086 nan 8.360 nan 0.000 0.448 373 I N 1.406 122.087 120.570 0.185 0.000 2.194 373 I HA -0.291 3.879 4.170 -0.000 0.000 0.246 373 I C 2.532 178.711 176.117 0.103 0.000 1.093 373 I CA 1.466 62.884 61.300 0.196 0.000 1.355 373 I CB -1.053 37.013 38.000 0.110 0.000 1.046 373 I HN 0.181 nan 8.210 nan 0.000 0.413 374 Q N 1.022 120.847 119.800 0.042 0.000 2.135 374 Q HA -0.132 4.208 4.340 -0.000 0.000 0.204 374 Q C 2.193 178.171 176.000 -0.036 0.000 0.981 374 Q CA 2.054 57.855 55.803 -0.003 0.000 0.856 374 Q CB -0.774 27.961 28.738 -0.004 0.000 0.902 374 Q HN 0.509 nan 8.270 nan 0.000 0.425 375 G N -1.101 107.660 108.800 -0.065 0.000 2.448 375 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.218 375 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.218 375 G C 1.227 176.020 174.900 -0.179 0.000 1.135 375 G CA 0.622 45.637 45.100 -0.142 0.000 0.784 375 G HN 0.405 nan 8.290 nan 0.000 0.543 376 H N 0.138 119.190 119.070 -0.030 0.000 2.395 376 H HA 0.140 4.696 4.556 -0.000 0.000 0.299 376 H C 2.674 177.962 175.328 -0.068 0.000 1.070 376 H CA 0.628 56.659 56.048 -0.028 0.000 1.356 376 H CB -0.009 29.756 29.762 0.005 0.000 1.401 376 H HN 0.259 nan 8.280 nan 0.000 0.524 377 L N 0.175 121.409 121.223 0.018 0.000 2.017 377 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 377 L C 2.911 179.698 176.870 -0.138 0.000 1.073 377 L CA 0.993 55.776 54.840 -0.094 0.000 0.745 377 L CB -0.494 41.489 42.059 -0.128 0.000 0.894 377 L HN 0.195 nan 8.230 nan 0.000 0.432 378 A N -0.661 122.091 122.820 -0.114 0.000 1.883 378 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 378 A C 2.506 180.034 177.584 -0.093 0.000 1.186 378 A CA 2.282 54.251 52.037 -0.113 0.000 0.624 378 A CB -0.711 18.237 19.000 -0.087 0.000 0.822 378 A HN 0.384 nan 8.150 nan 0.000 0.444 379 S N -0.002 115.654 115.700 -0.073 0.000 2.348 379 S HA -0.130 4.340 4.470 -0.000 0.000 0.221 379 S C 2.331 176.898 174.600 -0.054 0.000 1.033 379 S CA 1.524 59.691 58.200 -0.054 0.000 1.010 379 S CB -0.373 62.807 63.200 -0.033 0.000 0.891 379 S HN 0.651 nan 8.310 nan 0.000 0.442 380 S N 1.689 117.355 115.700 -0.057 0.000 2.370 380 S HA -0.112 4.357 4.470 -0.000 0.000 0.226 380 S C 2.229 176.771 174.600 -0.096 0.000 1.033 380 S CA 1.029 59.180 58.200 -0.082 0.000 1.011 380 S CB -0.566 62.568 63.200 -0.111 0.000 0.852 380 S HN 0.604 nan 8.310 nan 0.000 0.457 381 A N 1.545 124.293 122.820 -0.120 0.000 1.883 381 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 381 A C 2.081 179.633 177.584 -0.053 0.000 1.186 381 A CA 2.039 54.013 52.037 -0.105 0.000 0.624 381 A CB -0.681 18.209 19.000 -0.183 0.000 0.822 381 A HN 0.519 nan 8.150 nan 0.000 0.444 382 E N 0.198 120.364 120.200 -0.057 0.000 2.072 382 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 382 E C 1.899 178.470 176.600 -0.049 0.000 0.985 382 E CA 1.584 57.958 56.400 -0.043 0.000 0.801 382 E CB -0.159 29.515 29.700 -0.042 0.000 0.750 382 E HN 0.398 nan 8.360 nan 0.000 0.452 383 K N 0.695 121.060 120.400 -0.058 0.000 2.032 383 K HA -0.123 4.197 4.320 -0.000 0.000 0.209 383 K C 2.126 178.680 176.600 -0.075 0.000 1.048 383 K CA 1.160 57.408 56.287 -0.066 0.000 0.927 383 K CB -0.865 31.595 32.500 -0.067 0.000 0.712 383 K HN 0.286 nan 8.250 nan 0.000 0.441 384 L N 1.472 122.649 121.223 -0.078 0.000 2.131 384 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 384 L C 2.252 179.069 176.870 -0.088 0.000 1.092 384 L CA 1.670 56.459 54.840 -0.085 0.000 0.759 384 L CB -0.390 41.629 42.059 -0.067 0.000 0.903 384 L HN 0.187 nan 8.230 nan 0.000 0.435 385 Q N 0.315 120.077 119.800 -0.063 0.000 2.124 385 Q HA -0.180 4.159 4.340 -0.000 0.000 0.202 385 Q C 2.253 178.214 176.000 -0.065 0.000 0.977 385 Q CA 1.625 57.392 55.803 -0.060 0.000 0.850 385 Q CB -0.041 28.680 28.738 -0.028 0.000 0.901 385 Q HN 0.400 nan 8.270 nan 0.000 0.429 386 R N -0.544 119.922 120.500 -0.057 0.000 2.096 386 R HA -0.052 4.288 4.340 -0.000 0.000 0.235 386 R C 2.213 178.487 176.300 -0.043 0.000 1.127 386 R CA 1.422 57.493 56.100 -0.047 0.000 0.968 386 R CB -0.310 29.956 30.300 -0.057 0.000 0.861 386 R HN 0.334 nan 8.270 nan 0.000 0.440 387 I N 0.170 120.701 120.570 -0.065 0.000 2.252 387 I HA -0.240 3.929 4.170 -0.000 0.000 0.245 387 I C 2.173 178.259 176.117 -0.052 0.000 1.102 387 I CA 1.023 62.301 61.300 -0.037 0.000 1.385 387 I CB -0.170 37.802 38.000 -0.047 0.000 1.064 387 I HN -0.018 nan 8.210 nan 0.000 0.414 388 V N 1.952 121.736 119.914 -0.215 0.000 2.261 388 V HA -0.293 3.826 4.120 -0.000 0.000 0.246 388 V C 2.403 178.467 176.094 -0.049 0.000 1.047 388 V CA 2.448 64.517 62.300 -0.385 0.000 1.015 388 V CB -0.817 30.747 31.823 -0.431 0.000 0.642 388 V HN 0.514 nan 8.190 nan 0.000 0.446 389 K N 0.981 121.378 120.400 -0.005 0.000 2.365 389 K HA -0.118 4.202 4.320 -0.000 0.000 0.199 389 K C 1.597 178.316 176.600 0.198 0.000 1.045 389 K CA 1.807 58.139 56.287 0.077 0.000 0.962 389 K CB -0.785 31.733 32.500 0.030 0.000 0.759 389 K HN 0.528 nan 8.250 nan 0.000 0.469 390 N N 0.128 118.935 118.700 0.180 0.000 2.424 390 N HA -0.026 4.714 4.740 -0.000 0.000 0.178 390 N C -0.439 175.261 175.510 0.318 0.000 1.060 390 N CA -0.215 52.993 53.050 0.263 0.000 0.901 390 N CB 0.198 38.775 38.487 0.150 0.000 0.979 390 N HN 0.190 nan 8.380 nan 0.000 0.451 391 L N 1.747 123.134 121.223 0.273 0.000 2.319 391 L HA 0.203 4.543 4.340 -0.000 0.000 0.280 391 L C -0.862 176.017 176.870 0.015 0.000 1.099 391 L CA 0.091 55.043 54.840 0.188 0.000 0.828 391 L CB 1.076 43.288 42.059 0.256 0.000 1.150 391 L HN -0.101 nan 8.230 nan 0.000 0.442 392 D N 4.721 124.966 120.400 -0.259 0.000 2.454 392 D HA 0.232 4.871 4.640 -0.000 0.000 0.225 392 D C -1.519 174.804 176.300 0.039 0.000 1.081 392 D CA 0.011 53.803 54.000 -0.347 0.000 0.864 392 D CB 0.124 40.490 40.800 -0.723 0.000 1.040 392 D HN 0.351 nan 8.370 nan 0.000 0.517 393 F N 4.180 124.133 119.950 0.004 0.000 2.520 393 F HA 0.624 5.151 4.527 -0.000 0.000 0.322 393 F C -1.316 174.529 175.800 0.076 0.000 1.103 393 F CA -1.092 56.933 58.000 0.041 0.000 0.926 393 F CB 1.173 40.209 39.000 0.060 0.000 1.154 393 F HN 0.262 nan 8.300 nan 0.000 0.453 394 I N 5.651 125.707 120.570 -0.858 0.000 2.722 394 I HA 0.509 4.679 4.170 -0.000 0.000 0.295 394 I C -1.766 173.899 176.117 -0.755 0.000 1.161 394 I CA -0.820 60.129 61.300 -0.585 0.000 1.032 394 I CB 2.114 39.988 38.000 -0.210 0.000 1.244 394 I HN 0.323 nan 8.210 nan 0.000 0.421 395 V N 7.589 127.239 119.914 -0.440 0.000 2.293 395 V HA 0.259 4.378 4.120 -0.000 0.000 0.275 395 V C -0.988 175.042 176.094 -0.106 0.000 1.021 395 V CA -0.479 61.629 62.300 -0.319 0.000 0.815 395 V CB 0.833 32.462 31.823 -0.324 0.000 1.025 395 V HN 0.530 nan 8.190 nan 0.000 0.448 396 Y N 5.019 125.248 120.300 -0.118 0.000 2.331 396 Y HA 0.517 5.067 4.550 -0.000 0.000 0.338 396 Y C 0.085 176.026 175.900 0.068 0.000 0.976 396 Y CA -1.218 56.868 58.100 -0.024 0.000 1.137 396 Y CB 1.280 39.737 38.460 -0.006 0.000 1.172 396 Y HN 0.572 nan 8.280 nan 0.000 0.478 397 K N 7.826 127.868 120.400 -0.597 0.000 2.292 397 K HA 0.238 4.558 4.320 -0.000 0.000 0.270 397 K C -1.500 174.650 176.600 -0.750 0.000 1.062 397 K CA -0.603 55.376 56.287 -0.514 0.000 0.916 397 K CB 0.208 32.537 32.500 -0.285 0.000 1.166 397 K HN 0.641 nan 8.250 nan 0.000 0.458 398 F N 5.195 124.719 119.950 -0.709 0.000 2.471 398 F HA 0.102 4.629 4.527 -0.000 0.000 0.365 398 F C 0.354 175.994 175.800 -0.267 0.000 1.095 398 F CA -0.361 57.370 58.000 -0.448 0.000 1.174 398 F CB 0.695 39.643 39.000 -0.086 0.000 1.105 398 F HN 0.639 nan 8.300 nan 0.000 0.535 399 D N 2.002 121.968 120.400 -0.723 0.000 2.462 399 D HA 0.033 4.673 4.640 -0.000 0.000 0.221 399 D C 0.845 176.783 176.300 -0.603 0.000 1.173 399 D CA 0.051 53.738 54.000 -0.522 0.000 0.831 399 D CB -0.637 39.981 40.800 -0.303 0.000 1.001 399 D HN 0.494 nan 8.370 nan 0.000 0.499 400 N N -0.167 117.856 118.700 -1.129 0.000 2.300 400 N HA 0.009 4.749 4.740 -0.000 0.000 0.179 400 N C -0.404 174.986 175.510 -0.200 0.000 1.016 400 N CA 0.987 53.664 53.050 -0.621 0.000 0.876 400 N CB 0.157 38.298 38.487 -0.577 0.000 0.979 400 N HN 0.446 nan 8.380 nan 0.000 0.432 401 Y N -4.755 115.411 120.300 -0.223 0.000 2.779 401 Y HA 0.651 5.201 4.550 -0.000 0.000 0.340 401 Y C -0.075 175.919 175.900 0.157 0.000 1.252 401 Y CA -0.979 57.125 58.100 0.007 0.000 1.072 401 Y CB 0.494 38.941 38.460 -0.022 0.000 1.343 401 Y HN -0.125 nan 8.280 nan 0.000 0.450 402 G N 0.512 109.558 108.800 0.409 0.000 3.039 402 G HA2 0.301 4.261 3.960 -0.000 0.000 0.202 402 G HA3 0.301 4.261 3.960 -0.000 0.000 0.202 402 G C -0.460 174.596 174.900 0.261 0.000 1.151 402 G CA -0.761 44.498 45.100 0.266 0.000 0.836 402 G HN 0.591 nan 8.290 nan 0.000 0.598 403 K N -0.282 120.198 120.400 0.134 0.000 2.103 403 K HA -0.074 4.246 4.320 -0.000 0.000 0.207 403 K C 2.653 179.282 176.600 0.048 0.000 1.048 403 K CA 2.094 58.424 56.287 0.072 0.000 0.930 403 K CB -0.411 32.122 32.500 0.056 0.000 0.716 403 K HN 0.351 nan 8.250 nan 0.000 0.444 404 T N 1.153 115.754 114.554 0.079 0.000 2.607 404 T HA -0.211 4.139 4.350 -0.000 0.000 0.267 404 T C 1.501 176.218 174.700 0.029 0.000 1.049 404 T CA 1.678 63.810 62.100 0.053 0.000 1.162 404 T CB -0.448 68.466 68.868 0.076 0.000 0.863 404 T HN 0.238 nan 8.240 nan 0.000 0.424 405 F N 1.491 121.412 119.950 -0.047 0.000 2.134 405 F HA -0.020 4.506 4.527 -0.000 0.000 0.299 405 F C 2.015 177.668 175.800 -0.245 0.000 1.097 405 F CA 0.938 58.844 58.000 -0.156 0.000 1.264 405 F CB -0.444 38.392 39.000 -0.273 0.000 1.001 405 F HN 0.097 nan 8.300 nan 0.000 0.479 406 I N 0.356 120.762 120.570 -0.274 0.000 2.226 406 I HA -0.318 3.852 4.170 -0.000 0.000 0.245 406 I C 2.299 178.203 176.117 -0.355 0.000 1.100 406 I CA 1.556 62.548 61.300 -0.513 0.000 1.374 406 I CB -0.565 37.131 38.000 -0.506 0.000 1.057 406 I HN 0.098 nan 8.210 nan 0.000 0.413 407 K N 0.910 121.184 120.400 -0.210 0.000 2.148 407 K HA -0.144 4.176 4.320 -0.000 0.000 0.204 407 K C 1.926 178.421 176.600 -0.175 0.000 1.050 407 K CA 1.055 57.258 56.287 -0.140 0.000 0.942 407 K CB -0.066 32.390 32.500 -0.073 0.000 0.724 407 K HN 0.270 nan 8.250 nan 0.000 0.446 408 K N 0.519 120.766 120.400 -0.255 0.000 2.442 408 K HA -0.078 4.241 4.320 -0.000 0.000 0.198 408 K C 1.126 177.548 176.600 -0.297 0.000 1.042 408 K CA 0.690 56.824 56.287 -0.256 0.000 0.958 408 K CB 0.244 32.570 32.500 -0.289 0.000 0.766 408 K HN 0.086 nan 8.250 nan 0.000 0.474 409 Q N 0.379 119.968 119.800 -0.353 0.000 2.246 409 Q HA 0.099 4.439 4.340 -0.000 0.000 0.202 409 Q C -0.425 175.501 176.000 -0.123 0.000 0.883 409 Q CA 0.100 55.746 55.803 -0.261 0.000 0.952 409 Q CB 0.550 29.116 28.738 -0.287 0.000 1.078 409 Q HN 0.142 nan 8.270 nan 0.000 0.493 410 K N -0.273 120.062 120.400 -0.109 0.000 3.071 410 K HA -0.171 4.149 4.320 -0.000 0.000 0.265 410 K C -0.775 175.811 176.600 -0.023 0.000 1.060 410 K CA 0.398 56.651 56.287 -0.056 0.000 0.767 410 K CB -2.056 30.418 32.500 -0.043 0.000 1.241 410 K HN 0.281 nan 8.250 nan 0.000 0.486 411 C N 0.120 119.409 119.300 -0.020 0.000 2.561 411 C HA 0.433 4.893 4.460 -0.000 0.000 0.319 411 C C 0.856 175.873 174.990 0.045 0.000 1.198 411 C CA -0.868 58.179 59.018 0.048 0.000 1.665 411 C CB 1.694 29.534 27.740 0.168 0.000 2.258 411 C HN 0.512 nan 8.230 nan 0.000 0.493 412 S N 2.523 118.270 115.700 0.079 0.000 2.549 412 S HA 0.199 4.669 4.470 -0.000 0.000 0.279 412 S C -1.593 173.080 174.600 0.121 0.000 1.321 412 S CA -0.562 57.687 58.200 0.082 0.000 1.054 412 S CB 0.756 64.010 63.200 0.090 0.000 0.899 412 S HN 0.571 nan 8.310 nan 0.000 0.497 413 P HA -0.071 nan 4.420 nan 0.000 0.215 413 P C 0.902 178.323 177.300 0.202 0.000 1.153 413 P CA 1.134 64.303 63.100 0.116 0.000 0.853 413 P CB 0.055 31.808 31.700 0.089 0.000 0.788 414 D N -0.694 119.828 120.400 0.202 0.000 2.097 414 D HA -0.158 4.481 4.640 -0.000 0.000 0.195 414 D C 1.926 178.355 176.300 0.214 0.000 0.989 414 D CA 1.511 55.665 54.000 0.258 0.000 0.827 414 D CB -0.603 40.336 40.800 0.231 0.000 0.966 414 D HN -0.044 nan 8.370 nan 0.000 0.456 415 A N -0.626 122.301 122.820 0.177 0.000 1.933 415 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 415 A C 2.124 179.790 177.584 0.137 0.000 1.175 415 A CA 1.076 53.194 52.037 0.135 0.000 0.628 415 A CB -1.101 17.963 19.000 0.107 0.000 0.814 415 A HN 0.436 nan 8.150 nan 0.000 0.444 416 F N 0.613 120.580 119.950 0.028 0.000 2.102 416 F HA -0.142 4.384 4.527 -0.000 0.000 0.298 416 F C 1.970 177.776 175.800 0.010 0.000 1.105 416 F CA 1.853 59.865 58.000 0.020 0.000 1.239 416 F CB -0.210 38.827 39.000 0.062 0.000 0.991 416 F HN 0.173 nan 8.300 nan 0.000 0.474 417 I N -0.103 120.649 120.570 0.304 0.000 2.315 417 I HA -0.273 3.897 4.170 -0.000 0.000 0.248 417 I C 2.375 178.455 176.117 -0.061 0.000 1.117 417 I CA 0.843 62.186 61.300 0.072 0.000 1.404 417 I CB -0.587 37.296 38.000 -0.195 0.000 1.071 417 I HN 0.203 nan 8.210 nan 0.000 0.419 418 Q N 0.301 120.096 119.800 -0.008 0.000 2.135 418 Q HA -0.151 4.189 4.340 -0.000 0.000 0.204 418 Q C 2.497 178.509 176.000 0.019 0.000 0.981 418 Q CA 1.384 57.210 55.803 0.038 0.000 0.856 418 Q CB -0.380 28.412 28.738 0.090 0.000 0.902 418 Q HN 0.399 nan 8.270 nan 0.000 0.425 419 V N 0.830 120.725 119.914 -0.032 0.000 2.453 419 V HA -0.199 3.920 4.120 -0.000 0.000 0.247 419 V C 2.318 178.392 176.094 -0.033 0.000 1.048 419 V CA 1.492 63.757 62.300 -0.059 0.000 1.049 419 V CB -0.857 30.841 31.823 -0.208 0.000 0.672 419 V HN 0.302 nan 8.190 nan 0.000 0.457 420 A N -0.164 122.599 122.820 -0.096 0.000 1.933 420 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 420 A C 2.179 179.714 177.584 -0.082 0.000 1.175 420 A CA 1.618 53.595 52.037 -0.100 0.000 0.628 420 A CB -0.471 18.455 19.000 -0.122 0.000 0.814 420 A HN 0.507 nan 8.150 nan 0.000 0.444 421 L N -0.805 120.404 121.223 -0.022 0.000 2.093 421 L HA -0.208 4.131 4.340 -0.000 0.000 0.208 421 L C 2.864 179.846 176.870 0.188 0.000 1.085 421 L CA 1.023 55.910 54.840 0.080 0.000 0.755 421 L CB -0.523 41.654 42.059 0.197 0.000 0.904 421 L HN 0.375 nan 8.230 nan 0.000 0.435 422 Q N -0.268 119.623 119.800 0.152 0.000 2.050 422 Q HA -0.202 4.138 4.340 -0.000 0.000 0.202 422 Q C 2.273 178.406 176.000 0.221 0.000 0.980 422 Q CA 1.444 57.365 55.803 0.197 0.000 0.840 422 Q CB -0.514 28.306 28.738 0.137 0.000 0.898 422 Q HN 0.362 nan 8.270 nan 0.000 0.424 423 L N 0.712 122.010 121.223 0.126 0.000 2.056 423 L HA -0.055 4.285 4.340 -0.000 0.000 0.207 423 L C 2.134 179.022 176.870 0.030 0.000 1.078 423 L CA 2.082 56.957 54.840 0.059 0.000 0.749 423 L CB -0.942 41.122 42.059 0.009 0.000 0.901 423 L HN 0.121 nan 8.230 nan 0.000 0.433 424 A N -0.933 121.843 122.820 -0.073 0.000 1.883 424 A HA -0.281 4.038 4.320 -0.000 0.000 0.217 424 A C 2.315 179.847 177.584 -0.087 0.000 1.186 424 A CA 2.024 53.895 52.037 -0.277 0.000 0.624 424 A CB -1.242 17.334 19.000 -0.707 0.000 0.822 424 A HN 0.541 nan 8.150 nan 0.000 0.444 425 F N -1.489 118.544 119.950 0.139 0.000 2.102 425 F HA -0.162 4.365 4.527 -0.000 0.000 0.298 425 F C 2.185 178.121 175.800 0.227 0.000 1.105 425 F CA 2.033 60.255 58.000 0.370 0.000 1.239 425 F CB -0.363 38.880 39.000 0.406 0.000 0.991 425 F HN 0.352 nan 8.300 nan 0.000 0.474 426 Y N 1.853 122.333 120.300 0.300 0.000 2.145 426 Y HA -0.254 4.296 4.550 -0.000 0.000 0.286 426 Y C 2.754 178.648 175.900 -0.011 0.000 1.145 426 Y CA 2.329 60.528 58.100 0.165 0.000 1.148 426 Y CB -0.491 38.027 38.460 0.096 0.000 0.981 426 Y HN 0.092 nan 8.280 nan 0.000 0.507 427 R N -0.625 119.904 120.500 0.049 0.000 2.148 427 R HA -0.130 4.209 4.340 -0.000 0.000 0.227 427 R C 1.779 177.954 176.300 -0.208 0.000 1.103 427 R CA 1.610 57.661 56.100 -0.081 0.000 0.983 427 R CB -0.744 29.501 30.300 -0.092 0.000 0.874 427 R HN 0.408 nan 8.270 nan 0.000 0.451 428 L N 0.435 121.475 121.223 -0.306 0.000 2.145 428 L HA 0.047 4.387 4.340 -0.000 0.000 0.201 428 L C 1.556 178.038 176.870 -0.645 0.000 1.075 428 L CA 1.606 56.144 54.840 -0.503 0.000 0.773 428 L CB -0.243 41.419 42.059 -0.661 0.000 0.936 428 L HN 0.198 nan 8.230 nan 0.000 0.451 429 H N -0.300 118.577 119.070 -0.323 0.000 2.705 429 H HA 0.320 4.875 4.556 -0.000 0.000 0.269 429 H C 0.083 175.254 175.328 -0.261 0.000 0.998 429 H CA -0.050 55.820 56.048 -0.297 0.000 1.193 429 H CB 0.580 30.070 29.762 -0.454 0.000 1.485 429 H HN 0.131 nan 8.280 nan 0.000 0.521 430 R N 0.509 120.802 120.500 -0.345 0.000 3.656 430 R HA -0.161 4.179 4.340 -0.000 0.000 0.297 430 R C -0.155 175.779 176.300 -0.611 0.000 1.166 430 R CA 0.799 56.541 56.100 -0.597 0.000 0.799 430 R CB -2.198 27.927 30.300 -0.292 0.000 1.285 430 R HN 0.699 nan 8.270 nan 0.000 0.477 431 R N -1.967 118.290 120.500 -0.405 0.000 2.753 431 R HA 0.568 4.907 4.340 -0.000 0.000 0.272 431 R C -1.018 175.566 176.300 0.474 0.000 1.034 431 R CA -1.099 55.051 56.100 0.084 0.000 0.869 431 R CB 0.933 31.323 30.300 0.149 0.000 1.264 431 R HN -0.037 nan 8.270 nan 0.000 0.481 432 L N 1.362 122.860 121.223 0.459 0.000 2.400 432 L HA 0.829 5.169 4.340 -0.000 0.000 0.264 432 L C -0.104 176.797 176.870 0.051 0.000 1.061 432 L CA -1.200 53.820 54.840 0.300 0.000 0.799 432 L CB 1.911 44.134 42.059 0.274 0.000 1.240 432 L HN 0.661 nan 8.230 nan 0.000 0.461 433 V N -1.708 118.101 119.914 -0.175 0.000 3.147 433 V HA 0.527 4.646 4.120 -0.000 0.000 0.306 433 V C -2.784 173.237 176.094 -0.122 0.000 1.209 433 V CA -2.510 59.678 62.300 -0.187 0.000 1.023 433 V CB 1.563 33.188 31.823 -0.329 0.000 1.059 433 V HN 0.473 nan 8.190 nan 0.000 0.435 434 P HA 0.254 nan 4.420 nan 0.000 0.260 434 P C -0.381 177.039 177.300 0.199 0.000 1.185 434 P CA 0.862 64.007 63.100 0.075 0.000 0.763 434 P CB 0.175 31.886 31.700 0.019 0.000 0.776 435 T N 3.528 118.190 114.554 0.180 0.000 2.856 435 T HA 0.372 4.722 4.350 -0.000 0.000 0.283 435 T C -1.058 173.649 174.700 0.011 0.000 1.008 435 T CA -0.263 61.912 62.100 0.125 0.000 0.997 435 T CB 0.759 69.639 68.868 0.021 0.000 0.992 435 T HN 0.166 nan 8.240 nan 0.000 0.454 436 Y N 1.780 121.933 120.300 -0.245 0.000 2.377 436 Y HA 0.567 5.117 4.550 -0.000 0.000 0.339 436 Y C -0.098 175.670 175.900 -0.220 0.000 1.011 436 Y CA -0.717 57.050 58.100 -0.556 0.000 1.093 436 Y CB 1.138 39.036 38.460 -0.937 0.000 1.201 436 Y HN 0.667 nan 8.280 nan 0.000 0.455 437 E N 4.049 123.805 120.200 -0.740 0.000 2.313 437 E HA 0.280 4.629 4.350 -0.000 0.000 0.280 437 E C -1.470 174.798 176.600 -0.554 0.000 0.898 437 E CA -0.488 55.695 56.400 -0.362 0.000 0.803 437 E CB 1.319 30.952 29.700 -0.111 0.000 1.286 437 E HN 0.671 nan 8.360 nan 0.000 0.401 438 S N 1.838 117.347 115.700 -0.317 0.000 2.549 438 S HA 0.425 4.895 4.470 -0.000 0.000 0.283 438 S C -0.359 174.203 174.600 -0.064 0.000 1.320 438 S CA -0.018 58.087 58.200 -0.159 0.000 1.058 438 S CB 1.029 64.297 63.200 0.115 0.000 0.882 438 S HN 0.518 nan 8.310 nan 0.000 0.498 439 A N 2.902 125.694 122.820 -0.046 0.000 2.319 439 A HA 0.606 4.926 4.320 -0.000 0.000 0.310 439 A C 0.104 177.696 177.584 0.012 0.000 1.152 439 A CA -0.639 51.402 52.037 0.008 0.000 0.783 439 A CB 1.061 20.081 19.000 0.034 0.000 1.184 439 A HN 0.653 nan 8.150 nan 0.000 0.474 440 S N 2.132 117.845 115.700 0.023 0.000 2.531 440 S HA 0.364 4.833 4.470 -0.000 0.000 0.279 440 S C 0.501 175.112 174.600 0.019 0.000 1.305 440 S CA -0.249 57.957 58.200 0.009 0.000 1.058 440 S CB -0.340 62.871 63.200 0.017 0.000 0.899 440 S HN 0.923 nan 8.310 nan 0.000 0.493 441 I N 2.714 123.287 120.570 0.006 0.000 3.531 441 I HA 0.432 4.601 4.170 -0.000 0.000 0.341 441 I C 1.063 177.214 176.117 0.056 0.000 1.550 441 I CA -0.596 60.761 61.300 0.095 0.000 1.087 441 I CB 0.066 38.145 38.000 0.132 0.000 1.408 441 I HN 0.490 nan 8.210 nan 0.000 0.484 442 R N 1.174 121.661 120.500 -0.023 0.000 2.339 442 R HA 0.099 4.439 4.340 -0.000 0.000 0.199 442 R C 1.786 178.013 176.300 -0.121 0.000 1.018 442 R CA 0.415 56.489 56.100 -0.043 0.000 1.036 442 R CB -0.122 30.167 30.300 -0.019 0.000 0.899 442 R HN 0.523 nan 8.270 nan 0.000 0.473 443 R N -0.132 120.199 120.500 -0.282 0.000 2.096 443 R HA -0.074 4.266 4.340 -0.000 0.000 0.235 443 R C 0.134 176.071 176.300 -0.605 0.000 1.127 443 R CA 1.005 56.772 56.100 -0.555 0.000 0.968 443 R CB -0.088 29.640 30.300 -0.953 0.000 0.861 443 R HN 0.038 nan 8.270 nan 0.000 0.440 444 F N 1.427 121.362 119.950 -0.025 0.000 2.397 444 F HA 0.205 4.731 4.527 -0.000 0.000 0.331 444 F C 0.642 176.415 175.800 -0.046 0.000 1.090 444 F CA -1.141 56.839 58.000 -0.032 0.000 1.065 444 F CB 0.542 39.514 39.000 -0.046 0.000 1.184 444 F HN -0.189 nan 8.300 nan 0.000 0.499 445 Q N 1.741 121.620 119.800 0.131 0.000 2.348 445 Q HA -0.103 4.237 4.340 -0.000 0.000 0.331 445 Q C 0.300 176.315 176.000 0.025 0.000 1.099 445 Q CA 0.792 56.630 55.803 0.059 0.000 1.021 445 Q CB -0.044 28.725 28.738 0.052 0.000 1.166 445 Q HN 0.702 nan 8.270 nan 0.000 0.393 446 E N -0.843 119.366 120.200 0.014 0.000 2.971 446 E HA -0.230 4.119 4.350 -0.000 0.000 0.271 446 E C 0.141 176.710 176.600 -0.051 0.000 1.053 446 E CA 0.274 56.670 56.400 -0.006 0.000 0.817 446 E CB -1.661 28.028 29.700 -0.018 0.000 1.410 446 E HN 0.790 nan 8.360 nan 0.000 0.445 447 G N 0.321 109.099 108.800 -0.037 0.000 2.313 447 G HA2 0.100 4.059 3.960 -0.000 0.000 0.250 447 G HA3 0.100 4.059 3.960 -0.000 0.000 0.250 447 G C 0.787 175.602 174.900 -0.143 0.000 1.281 447 G CA -0.212 44.841 45.100 -0.079 0.000 0.917 447 G HN -0.042 nan 8.290 nan 0.000 0.501 448 R N 1.225 121.539 120.500 -0.310 0.000 1.758 448 R HA 0.501 4.841 4.340 -0.000 0.000 0.141 448 R C 1.003 177.081 176.300 -0.371 0.000 2.075 448 R CA 0.889 56.739 56.100 -0.417 0.000 1.687 448 R CB -0.689 29.073 30.300 -0.898 0.000 1.239 448 R HN 0.762 nan 8.270 nan 0.000 0.477 449 V N -2.116 117.439 119.914 -0.599 0.000 3.112 449 V HA 0.643 4.763 4.120 -0.000 0.000 0.310 449 V C -1.030 174.893 176.094 -0.286 0.000 1.364 449 V CA -0.837 61.292 62.300 -0.285 0.000 1.058 449 V CB 2.408 34.196 31.823 -0.059 0.000 1.079 449 V HN 0.347 nan 8.190 nan 0.000 0.463 450 D N -0.351 120.006 120.400 -0.073 0.000 2.895 450 D HA 0.486 5.126 4.640 -0.000 0.000 0.320 450 D C -1.701 174.590 176.300 -0.015 0.000 1.249 450 D CA -0.390 53.621 54.000 0.019 0.000 0.997 450 D CB 2.264 43.086 40.800 0.037 0.000 1.430 450 D HN 0.826 nan 8.370 nan 0.000 0.558 451 N N 0.068 118.764 118.700 -0.007 0.000 2.321 451 N HA 0.495 5.235 4.740 -0.000 0.000 0.299 451 N C -1.221 174.229 175.510 -0.101 0.000 1.048 451 N CA -0.372 52.530 53.050 -0.248 0.000 0.836 451 N CB 1.173 39.510 38.487 -0.250 0.000 1.269 451 N HN 0.314 nan 8.380 nan 0.000 0.486 452 I N 2.665 123.070 120.570 -0.274 0.000 2.330 452 I HA 0.340 4.510 4.170 -0.000 0.000 0.289 452 I C 0.385 176.196 176.117 -0.510 0.000 1.001 452 I CA -0.618 60.547 61.300 -0.224 0.000 1.193 452 I CB 1.091 39.031 38.000 -0.101 0.000 1.345 452 I HN 0.269 nan 8.210 nan 0.000 0.461 453 R N 4.309 124.219 120.500 -0.984 0.000 2.408 453 R HA 0.205 4.545 4.340 -0.000 0.000 0.308 453 R C 0.868 176.868 176.300 -0.500 0.000 1.210 453 R CA -0.160 55.574 56.100 -0.610 0.000 1.115 453 R CB 0.525 30.577 30.300 -0.414 0.000 1.127 453 R HN 0.623 nan 8.270 nan 0.000 0.523 454 S N 1.540 117.086 115.700 -0.257 0.000 2.474 454 S HA -0.100 4.370 4.470 -0.000 0.000 0.235 454 S C 1.223 175.805 174.600 -0.030 0.000 0.997 454 S CA 0.759 58.890 58.200 -0.115 0.000 0.949 454 S CB 0.272 63.450 63.200 -0.038 0.000 0.766 454 S HN 0.648 nan 8.310 nan 0.000 0.517 455 A N 3.071 125.887 122.820 -0.006 0.000 3.077 455 A HA 0.377 4.696 4.320 -0.000 0.000 0.255 455 A C 0.929 178.631 177.584 0.197 0.000 1.728 455 A CA -0.507 51.583 52.037 0.087 0.000 1.383 455 A CB -0.926 18.115 19.000 0.068 0.000 1.097 455 A HN 0.409 nan 8.150 nan 0.000 0.634 456 T N -2.206 112.409 114.554 0.102 0.000 2.828 456 T HA 0.346 4.695 4.350 -0.000 0.000 0.290 456 T C -1.720 172.897 174.700 -0.139 0.000 1.019 456 T CA -1.306 60.838 62.100 0.072 0.000 1.031 456 T CB 0.741 69.635 68.868 0.044 0.000 1.001 456 T HN 0.124 nan 8.240 nan 0.000 0.531 457 P HA -0.023 nan 4.420 nan 0.000 0.217 457 P C 1.264 178.398 177.300 -0.278 0.000 1.150 457 P CA 0.939 63.705 63.100 -0.557 0.000 0.832 457 P CB 0.038 31.561 31.700 -0.296 0.000 0.787 458 E N -0.256 119.864 120.200 -0.132 0.000 2.110 458 E HA -0.129 4.220 4.350 -0.000 0.000 0.193 458 E C 2.116 178.694 176.600 -0.036 0.000 0.988 458 E CA 1.452 57.811 56.400 -0.068 0.000 0.804 458 E CB -1.130 28.548 29.700 -0.037 0.000 0.745 458 E HN 0.138 nan 8.360 nan 0.000 0.458 459 A N 0.660 123.460 122.820 -0.033 0.000 1.933 459 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 459 A C 2.129 179.701 177.584 -0.020 0.000 1.175 459 A CA 1.220 53.275 52.037 0.029 0.000 0.628 459 A CB -0.592 18.431 19.000 0.038 0.000 0.814 459 A HN 0.271 nan 8.150 nan 0.000 0.444 460 L N -0.217 120.935 121.223 -0.118 0.000 2.046 460 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 460 L C 2.664 179.404 176.870 -0.217 0.000 1.077 460 L CA 2.198 56.923 54.840 -0.192 0.000 0.747 460 L CB -0.867 41.076 42.059 -0.194 0.000 0.896 460 L HN 0.335 nan 8.230 nan 0.000 0.432 461 A N -1.079 121.657 122.820 -0.140 0.000 1.933 461 A HA -0.249 4.070 4.320 -0.000 0.000 0.218 461 A C 2.239 179.782 177.584 -0.068 0.000 1.175 461 A CA 1.801 53.778 52.037 -0.100 0.000 0.628 461 A CB -1.096 17.869 19.000 -0.059 0.000 0.814 461 A HN 0.550 nan 8.150 nan 0.000 0.444 462 F N 1.279 121.130 119.950 -0.166 0.000 2.084 462 F HA -0.150 4.377 4.527 -0.000 0.000 0.296 462 F C 2.351 178.039 175.800 -0.185 0.000 1.111 462 F CA 2.073 59.983 58.000 -0.150 0.000 1.224 462 F CB -0.625 38.296 39.000 -0.132 0.000 0.991 462 F HN 0.128 nan 8.300 nan 0.000 0.471 463 V N -0.498 119.100 119.914 -0.527 0.000 2.515 463 V HA -0.178 3.941 4.120 -0.000 0.000 0.250 463 V C 2.419 178.125 176.094 -0.647 0.000 1.058 463 V CA 1.888 63.774 62.300 -0.689 0.000 1.064 463 V CB -1.020 30.457 31.823 -0.575 0.000 0.675 463 V HN 0.346 nan 8.190 nan 0.000 0.461 464 R N 0.857 121.006 120.500 -0.584 0.000 2.066 464 R HA 0.052 4.391 4.340 -0.000 0.000 0.232 464 R C 2.613 178.766 176.300 -0.245 0.000 1.131 464 R CA 1.535 57.411 56.100 -0.373 0.000 0.955 464 R CB -0.742 29.403 30.300 -0.258 0.000 0.851 464 R HN 0.614 nan 8.270 nan 0.000 0.432 465 A N 0.538 123.211 122.820 -0.245 0.000 1.933 465 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 465 A C 2.284 179.735 177.584 -0.221 0.000 1.175 465 A CA 1.346 53.276 52.037 -0.178 0.000 0.628 465 A CB -0.375 18.555 19.000 -0.117 0.000 0.814 465 A HN 0.128 nan 8.150 nan 0.000 0.444 466 V N 0.175 119.872 119.914 -0.362 0.000 2.379 466 V HA -0.162 3.958 4.120 -0.000 0.000 0.245 466 V C 2.843 178.765 176.094 -0.287 0.000 1.044 466 V CA 2.278 64.368 62.300 -0.351 0.000 1.036 466 V CB -0.953 30.538 31.823 -0.553 0.000 0.664 466 V HN 0.829 nan 8.190 nan 0.000 0.453 467 T N -2.998 111.397 114.554 -0.264 0.000 3.057 467 T HA -0.009 4.341 4.350 -0.000 0.000 0.254 467 T C 0.905 175.414 174.700 -0.317 0.000 1.094 467 T CA 0.373 62.322 62.100 -0.253 0.000 1.088 467 T CB -0.144 68.704 68.868 -0.032 0.000 0.934 467 T HN 0.314 nan 8.240 nan 0.000 0.497 468 D N 1.792 122.071 120.400 -0.203 0.000 2.551 468 D HA 0.072 4.712 4.640 -0.000 0.000 0.223 468 D C 1.060 177.296 176.300 -0.107 0.000 1.144 468 D CA -0.355 53.570 54.000 -0.126 0.000 1.025 468 D CB -0.199 40.567 40.800 -0.057 0.000 1.085 468 D HN 0.318 nan 8.370 nan 0.000 0.506 469 H N 2.204 121.265 119.070 -0.015 0.000 2.321 469 H HA -0.157 4.399 4.556 -0.000 0.000 0.295 469 H C 1.469 176.790 175.328 -0.013 0.000 1.102 469 H CA 1.177 57.215 56.048 -0.017 0.000 1.266 469 H CB 0.228 29.980 29.762 -0.016 0.000 1.363 469 H HN 0.432 nan 8.280 nan 0.000 0.492 470 K N 0.414 120.889 120.400 0.125 0.000 2.442 470 K HA -0.016 4.304 4.320 -0.000 0.000 0.198 470 K C 2.130 178.751 176.600 0.035 0.000 1.044 470 K CA 0.665 56.991 56.287 0.065 0.000 0.948 470 K CB 0.108 32.638 32.500 0.050 0.000 0.762 470 K HN 0.219 nan 8.250 nan 0.000 0.472 471 A N 0.894 123.727 122.820 0.022 0.000 2.030 471 A HA 0.282 4.602 4.320 -0.000 0.000 0.215 471 A C 1.235 178.824 177.584 0.008 0.000 1.164 471 A CA 0.746 52.787 52.037 0.006 0.000 0.697 471 A CB -0.019 18.974 19.000 -0.012 0.000 0.827 471 A HN 0.238 nan 8.150 nan 0.000 0.457 472 A N -1.052 121.778 122.820 0.017 0.000 2.791 472 A HA -0.094 4.226 4.320 -0.000 0.000 0.292 472 A C 0.347 177.935 177.584 0.008 0.000 1.487 472 A CA 0.554 52.602 52.037 0.019 0.000 0.760 472 A CB -2.631 16.381 19.000 0.020 0.000 1.031 472 A HN 0.930 nan 8.150 nan 0.000 0.503 473 V N 0.819 120.730 119.914 -0.005 0.000 2.585 473 V HA 0.228 4.348 4.120 -0.000 0.000 0.296 473 V C -1.276 174.820 176.094 0.003 0.000 1.035 473 V CA -0.325 61.971 62.300 -0.006 0.000 1.084 473 V CB 0.380 32.191 31.823 -0.020 0.000 0.953 473 V HN 0.540 nan 8.190 nan 0.000 0.483 474 P HA 0.105 nan 4.420 nan 0.000 0.266 474 P C 0.619 177.932 177.300 0.021 0.000 1.195 474 P CA 0.138 63.247 63.100 0.015 0.000 0.768 474 P CB 0.699 32.408 31.700 0.014 0.000 0.838 475 A N 2.800 125.635 122.820 0.026 0.000 1.940 475 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 475 A C 2.169 179.779 177.584 0.042 0.000 1.176 475 A CA 2.291 54.351 52.037 0.037 0.000 0.631 475 A CB -1.648 17.375 19.000 0.038 0.000 0.814 475 A HN 0.626 nan 8.150 nan 0.000 0.446 476 S N -0.120 115.599 115.700 0.032 0.000 2.368 476 S HA -0.221 4.248 4.470 -0.000 0.000 0.225 476 S C 1.809 176.427 174.600 0.030 0.000 1.030 476 S CA 1.605 59.822 58.200 0.029 0.000 0.999 476 S CB -0.367 62.845 63.200 0.021 0.000 0.844 476 S HN 0.572 nan 8.310 nan 0.000 0.459 477 E N 1.898 122.115 120.200 0.029 0.000 2.072 477 E HA -0.039 4.311 4.350 -0.000 0.000 0.191 477 E C 1.969 178.600 176.600 0.052 0.000 0.985 477 E CA 1.362 57.779 56.400 0.029 0.000 0.801 477 E CB -0.346 29.366 29.700 0.020 0.000 0.750 477 E HN 0.650 nan 8.360 nan 0.000 0.452 478 K N -0.120 120.320 120.400 0.068 0.000 2.103 478 K HA -0.158 4.161 4.320 -0.000 0.000 0.207 478 K C 2.102 178.805 176.600 0.172 0.000 1.048 478 K CA 1.287 57.655 56.287 0.136 0.000 0.930 478 K CB -0.317 32.250 32.500 0.112 0.000 0.716 478 K HN 0.150 nan 8.250 nan 0.000 0.444 479 L N 1.510 122.790 121.223 0.094 0.000 2.046 479 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 479 L C 1.852 178.722 176.870 -0.001 0.000 1.077 479 L CA 1.495 56.362 54.840 0.046 0.000 0.747 479 L CB -0.382 41.699 42.059 0.037 0.000 0.896 479 L HN 0.141 nan 8.230 nan 0.000 0.432 480 L N -1.239 119.992 121.223 0.013 0.000 2.017 480 L HA -0.255 4.084 4.340 -0.000 0.000 0.208 480 L C 2.529 179.387 176.870 -0.021 0.000 1.073 480 L CA 1.444 56.281 54.840 -0.006 0.000 0.745 480 L CB -0.495 41.567 42.059 0.005 0.000 0.894 480 L HN 0.310 nan 8.230 nan 0.000 0.432 481 L N -0.690 120.548 121.223 0.024 0.000 2.131 481 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 481 L C 2.483 179.285 176.870 -0.112 0.000 1.092 481 L CA 0.926 55.792 54.840 0.043 0.000 0.759 481 L CB -0.338 41.830 42.059 0.180 0.000 0.903 481 L HN 0.329 nan 8.230 nan 0.000 0.435 482 L N -0.284 120.776 121.223 -0.271 0.000 2.005 482 L HA -0.200 4.140 4.340 -0.000 0.000 0.207 482 L C 2.701 179.291 176.870 -0.468 0.000 1.072 482 L CA 1.417 55.758 54.840 -0.833 0.000 0.744 482 L CB -0.204 41.474 42.059 -0.635 0.000 0.895 482 L HN 0.139 nan 8.230 nan 0.000 0.433 483 K N -0.098 120.160 120.400 -0.236 0.000 2.147 483 K HA -0.217 4.102 4.320 -0.000 0.000 0.205 483 K C 1.720 178.251 176.600 -0.115 0.000 1.049 483 K CA 1.619 57.821 56.287 -0.142 0.000 0.936 483 K CB -0.576 31.879 32.500 -0.075 0.000 0.722 483 K HN 0.427 nan 8.250 nan 0.000 0.446 484 D N 0.376 120.712 120.400 -0.108 0.000 2.183 484 D HA -0.034 4.606 4.640 -0.000 0.000 0.203 484 D C 1.638 177.891 176.300 -0.078 0.000 0.969 484 D CA 1.089 55.048 54.000 -0.069 0.000 0.842 484 D CB 0.140 40.913 40.800 -0.046 0.000 0.957 484 D HN 0.137 nan 8.370 nan 0.000 0.484 485 A N 0.171 122.908 122.820 -0.138 0.000 1.898 485 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 485 A C 2.368 179.887 177.584 -0.108 0.000 1.181 485 A CA 0.922 52.882 52.037 -0.129 0.000 0.620 485 A CB -0.685 18.183 19.000 -0.219 0.000 0.819 485 A HN 0.336 nan 8.150 nan 0.000 0.442 486 I N -1.170 119.313 120.570 -0.146 0.000 2.315 486 I HA -0.213 3.956 4.170 -0.000 0.000 0.248 486 I C 2.733 178.840 176.117 -0.017 0.000 1.117 486 I CA 1.316 62.570 61.300 -0.077 0.000 1.404 486 I CB -0.345 37.611 38.000 -0.073 0.000 1.071 486 I HN 0.368 nan 8.210 nan 0.000 0.419 487 R N 1.252 121.738 120.500 -0.023 0.000 2.081 487 R HA -0.178 4.162 4.340 -0.000 0.000 0.235 487 R C 2.372 178.686 176.300 0.024 0.000 1.131 487 R CA 1.673 57.774 56.100 0.003 0.000 0.960 487 R CB -0.204 30.092 30.300 -0.007 0.000 0.856 487 R HN 0.343 nan 8.270 nan 0.000 0.436 488 A N 0.593 123.425 122.820 0.020 0.000 1.902 488 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 488 A C 2.044 179.687 177.584 0.098 0.000 1.181 488 A CA 1.552 53.622 52.037 0.056 0.000 0.623 488 A CB -0.551 18.474 19.000 0.042 0.000 0.818 488 A HN 0.407 nan 8.150 nan 0.000 0.443 489 Q N -0.123 119.717 119.800 0.067 0.000 2.030 489 Q HA -0.140 4.200 4.340 -0.000 0.000 0.204 489 Q C 2.024 178.095 176.000 0.117 0.000 0.986 489 Q CA 2.810 58.663 55.803 0.084 0.000 0.843 489 Q CB -1.090 27.675 28.738 0.046 0.000 0.904 489 Q HN 0.550 nan 8.270 nan 0.000 0.420 490 T N 0.455 115.063 114.554 0.089 0.000 2.746 490 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 490 T C 1.719 176.476 174.700 0.095 0.000 1.039 490 T CA 1.434 63.586 62.100 0.088 0.000 1.142 490 T CB -0.645 68.261 68.868 0.064 0.000 0.866 490 T HN 0.478 nan 8.240 nan 0.000 0.444 491 A N 0.212 123.085 122.820 0.089 0.000 1.902 491 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 491 A C 2.090 179.726 177.584 0.087 0.000 1.181 491 A CA 1.396 53.476 52.037 0.072 0.000 0.623 491 A CB -1.034 17.999 19.000 0.055 0.000 0.818 491 A HN 0.611 nan 8.150 nan 0.000 0.443 492 Y N 0.887 121.212 120.300 0.042 0.000 2.200 492 Y HA -0.187 4.363 4.550 -0.000 0.000 0.290 492 Y C 2.804 178.731 175.900 0.045 0.000 1.137 492 Y CA 2.095 60.224 58.100 0.049 0.000 1.163 492 Y CB -0.246 38.243 38.460 0.048 0.000 0.988 492 Y HN 0.348 nan 8.280 nan 0.000 0.518 493 T N -0.587 114.127 114.554 0.268 0.000 2.684 493 T HA -0.223 4.127 4.350 -0.000 0.000 0.267 493 T C 1.954 176.728 174.700 0.123 0.000 1.036 493 T CA 1.777 63.986 62.100 0.181 0.000 1.148 493 T CB -0.764 68.183 68.868 0.131 0.000 0.863 493 T HN 0.161 nan 8.240 nan 0.000 0.436 494 V N 1.513 121.481 119.914 0.091 0.000 2.407 494 V HA -0.182 3.938 4.120 -0.000 0.000 0.248 494 V C 2.415 178.539 176.094 0.050 0.000 1.055 494 V CA 1.844 64.182 62.300 0.064 0.000 1.049 494 V CB -0.614 31.239 31.823 0.049 0.000 0.662 494 V HN 0.487 nan 8.190 nan 0.000 0.455 495 M N 0.039 119.646 119.600 0.011 0.000 2.086 495 M HA -0.183 4.296 4.480 -0.000 0.000 0.261 495 M C 2.179 178.482 176.300 0.005 0.000 1.067 495 M CA 2.358 57.633 55.300 -0.041 0.000 1.116 495 M CB -0.298 32.179 32.600 -0.204 0.000 1.348 495 M HN 0.329 nan 8.290 nan 0.000 0.407 496 A N 1.148 123.998 122.820 0.049 0.000 1.877 496 A HA -0.173 4.146 4.320 -0.000 0.000 0.216 496 A C 2.036 179.685 177.584 0.109 0.000 1.186 496 A CA 1.928 54.030 52.037 0.109 0.000 0.620 496 A CB -1.312 17.798 19.000 0.184 0.000 0.822 496 A HN 0.811 nan 8.150 nan 0.000 0.443 497 I N -1.652 118.983 120.570 0.107 0.000 2.454 497 I HA -0.131 4.039 4.170 -0.000 0.000 0.254 497 I C 1.879 178.110 176.117 0.190 0.000 1.156 497 I CA 1.939 63.310 61.300 0.118 0.000 1.433 497 I CB -0.979 37.070 38.000 0.082 0.000 1.082 497 I HN 0.333 nan 8.210 nan 0.000 0.432 498 T N -1.713 112.948 114.554 0.179 0.000 3.219 498 T HA 0.422 4.772 4.350 -0.000 0.000 0.249 498 T C 1.466 176.317 174.700 0.252 0.000 1.099 498 T CA 0.219 62.475 62.100 0.260 0.000 0.988 498 T CB -0.178 68.784 68.868 0.157 0.000 0.999 498 T HN 0.763 nan 8.240 nan 0.000 0.550 499 G N 1.961 110.863 108.800 0.170 0.000 2.160 499 G HA2 -0.229 3.730 3.960 -0.000 0.000 0.251 499 G HA3 -0.229 3.730 3.960 -0.000 0.000 0.251 499 G C 0.541 175.444 174.900 0.006 0.000 1.008 499 G CA 0.353 45.453 45.100 -0.001 0.000 0.724 499 G HN 0.497 nan 8.290 nan 0.000 0.514 500 M N -0.070 119.551 119.600 0.035 0.000 2.560 500 M HA 0.532 5.011 4.480 -0.000 0.000 0.297 500 M C 1.269 177.585 176.300 0.026 0.000 1.201 500 M CA 0.024 55.337 55.300 0.022 0.000 0.973 500 M CB -0.261 32.344 32.600 0.009 0.000 1.401 500 M HN 0.521 nan 8.290 nan 0.000 0.497 501 A N 1.146 124.004 122.820 0.063 0.000 2.450 501 A HA 0.684 5.004 4.320 -0.000 0.000 0.281 501 A C 1.256 178.963 177.584 0.206 0.000 1.372 501 A CA -0.388 51.699 52.037 0.084 0.000 0.886 501 A CB 0.538 19.628 19.000 0.150 0.000 1.462 501 A HN 0.484 nan 8.150 nan 0.000 0.514 502 I N -4.457 116.280 120.570 0.279 0.000 4.139 502 I HA 0.216 4.386 4.170 -0.000 0.000 0.320 502 I C 0.846 177.165 176.117 0.338 0.000 1.290 502 I CA 0.620 62.111 61.300 0.319 0.000 1.253 502 I CB -0.172 38.020 38.000 0.321 0.000 1.122 502 I HN 0.411 nan 8.210 nan 0.000 0.421 503 D N 2.513 123.113 120.400 0.334 0.000 2.087 503 D HA -0.173 4.467 4.640 -0.000 0.000 0.192 503 D C 1.870 178.385 176.300 0.358 0.000 0.993 503 D CA 1.633 55.835 54.000 0.337 0.000 0.828 503 D CB -0.235 40.765 40.800 0.332 0.000 0.968 503 D HN 0.286 nan 8.370 nan 0.000 0.448 504 N N -0.381 118.536 118.700 0.363 0.000 2.149 504 N HA -0.173 4.567 4.740 -0.000 0.000 0.188 504 N C 1.641 177.515 175.510 0.608 0.000 1.019 504 N CA 0.829 54.126 53.050 0.411 0.000 0.857 504 N CB -0.491 38.139 38.487 0.239 0.000 0.997 504 N HN 0.472 nan 8.380 nan 0.000 0.426 505 H N 0.623 119.962 119.070 0.449 0.000 2.290 505 H HA 0.002 4.557 4.556 -0.000 0.000 0.298 505 H C 2.072 177.540 175.328 0.233 0.000 1.087 505 H CA 1.135 57.375 56.048 0.320 0.000 1.291 505 H CB 0.023 29.904 29.762 0.199 0.000 1.369 505 H HN 0.068 nan 8.280 nan 0.000 0.492 506 L N 0.213 121.602 121.223 0.276 0.000 2.083 506 L HA -0.198 4.142 4.340 -0.000 0.000 0.209 506 L C 2.700 179.614 176.870 0.074 0.000 1.083 506 L CA 0.594 55.536 54.840 0.171 0.000 0.752 506 L CB -0.356 41.849 42.059 0.243 0.000 0.899 506 L HN 0.334 nan 8.230 nan 0.000 0.433 507 L N 0.428 121.753 121.223 0.171 0.000 1.989 507 L HA -0.192 4.148 4.340 -0.000 0.000 0.211 507 L C 2.650 179.485 176.870 -0.058 0.000 1.071 507 L CA 2.188 57.067 54.840 0.064 0.000 0.749 507 L CB -0.776 41.411 42.059 0.215 0.000 0.890 507 L HN 0.143 nan 8.230 nan 0.000 0.431 508 A N -0.591 122.358 122.820 0.215 0.000 1.902 508 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 508 A C 2.280 179.862 177.584 -0.002 0.000 1.181 508 A CA 1.960 54.142 52.037 0.243 0.000 0.623 508 A CB -0.931 18.477 19.000 0.680 0.000 0.818 508 A HN 0.536 nan 8.150 nan 0.000 0.443 509 L N -1.175 120.067 121.223 0.032 0.000 2.083 509 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 509 L C 2.811 179.561 176.870 -0.202 0.000 1.083 509 L CA 1.724 56.589 54.840 0.042 0.000 0.752 509 L CB -0.483 41.714 42.059 0.230 0.000 0.899 509 L HN 0.477 nan 8.230 nan 0.000 0.433 510 R N 0.149 120.218 120.500 -0.719 0.000 2.073 510 R HA -0.161 4.179 4.340 -0.000 0.000 0.234 510 R C 2.172 178.107 176.300 -0.608 0.000 1.134 510 R CA 1.389 56.737 56.100 -1.254 0.000 0.952 510 R CB 0.027 29.430 30.300 -1.496 0.000 0.850 510 R HN 0.253 nan 8.270 nan 0.000 0.433 511 E N 0.699 120.556 120.200 -0.572 0.000 2.208 511 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 511 E C 2.074 178.470 176.600 -0.340 0.000 0.988 511 E CA 0.718 56.787 56.400 -0.553 0.000 0.828 511 E CB -0.091 28.966 29.700 -1.071 0.000 0.763 511 E HN 0.419 nan 8.360 nan 0.000 0.478 512 L N 0.324 121.406 121.223 -0.235 0.000 2.141 512 L HA -0.094 4.246 4.340 -0.000 0.000 0.209 512 L C 2.398 179.257 176.870 -0.017 0.000 1.094 512 L CA 0.931 55.755 54.840 -0.025 0.000 0.763 512 L CB -0.352 41.740 42.059 0.056 0.000 0.908 512 L HN 0.054 nan 8.230 nan 0.000 0.437 513 A N 0.143 122.939 122.820 -0.041 0.000 1.873 513 A HA -0.236 4.084 4.320 -0.000 0.000 0.215 513 A C 2.385 179.959 177.584 -0.017 0.000 1.186 513 A CA 1.593 53.639 52.037 0.014 0.000 0.616 513 A CB -0.540 18.507 19.000 0.079 0.000 0.823 513 A HN 0.340 nan 8.150 nan 0.000 0.442 514 R N -0.185 120.269 120.500 -0.077 0.000 2.117 514 R HA -0.149 4.190 4.340 -0.000 0.000 0.243 514 R C 2.133 178.416 176.300 -0.028 0.000 1.143 514 R CA 1.569 57.631 56.100 -0.064 0.000 0.968 514 R CB -0.404 29.830 30.300 -0.111 0.000 0.863 514 R HN 0.433 nan 8.270 nan 0.000 0.444 515 A N 0.452 123.261 122.820 -0.017 0.000 1.969 515 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 515 A C 2.126 179.721 177.584 0.018 0.000 1.169 515 A CA 1.391 53.438 52.037 0.015 0.000 0.635 515 A CB -0.315 18.712 19.000 0.045 0.000 0.810 515 A HN 0.377 nan 8.150 nan 0.000 0.445 516 M N -2.275 117.335 119.600 0.016 0.000 2.156 516 M HA 0.023 4.503 4.480 -0.000 0.000 0.264 516 M C 0.637 176.946 176.300 0.015 0.000 1.067 516 M CA 0.707 56.019 55.300 0.019 0.000 1.131 516 M CB 0.094 32.708 32.600 0.025 0.000 1.368 516 M HN 0.472 nan 8.290 nan 0.000 0.416 517 C N -0.686 118.621 119.300 0.011 0.000 3.046 517 C HA 0.583 5.043 4.460 -0.000 0.000 0.388 517 C C 1.284 176.275 174.990 0.002 0.000 1.041 517 C CA -0.820 58.203 59.018 0.009 0.000 1.241 517 C CB 0.845 28.593 27.740 0.014 0.000 1.638 517 C HN 0.537 nan 8.230 nan 0.000 0.539 518 A N 3.344 126.164 122.820 -0.001 0.000 2.032 518 A HA 0.243 4.563 4.320 -0.000 0.000 0.221 518 A C 1.309 178.889 177.584 -0.006 0.000 1.165 518 A CA 1.722 53.755 52.037 -0.007 0.000 0.645 518 A CB -0.386 18.611 19.000 -0.005 0.000 0.807 518 A HN 1.924 nan 8.150 nan 0.000 0.453 519 A N 0.457 123.277 122.820 0.001 0.000 2.376 519 A HA 0.546 4.866 4.320 -0.000 0.000 0.298 519 A C 0.212 177.804 177.584 0.013 0.000 1.271 519 A CA -0.473 51.567 52.037 0.004 0.000 0.926 519 A CB -0.332 18.672 19.000 0.006 0.000 1.141 519 A HN 0.424 nan 8.150 nan 0.000 0.539 520 L N 3.269 124.500 121.223 0.013 0.000 2.467 520 L HA 0.188 4.527 4.340 -0.000 0.000 0.270 520 L C -1.810 175.091 176.870 0.052 0.000 1.205 520 L CA -1.518 53.346 54.840 0.040 0.000 0.828 520 L CB 0.089 42.170 42.059 0.037 0.000 1.101 520 L HN 0.445 nan 8.230 nan 0.000 0.479 521 P HA -0.017 nan 4.420 nan 0.000 0.269 521 P C 0.376 177.626 177.300 -0.083 0.000 1.215 521 P CA -0.199 62.916 63.100 0.025 0.000 0.780 521 P CB 0.531 32.267 31.700 0.060 0.000 0.898 522 E N 1.349 121.493 120.200 -0.093 0.000 2.209 522 E HA -0.261 4.089 4.350 -0.000 0.000 0.196 522 E C 1.606 178.058 176.600 -0.247 0.000 0.993 522 E CA 1.006 57.337 56.400 -0.115 0.000 0.819 522 E CB -0.213 29.442 29.700 -0.076 0.000 0.745 522 E HN 0.308 nan 8.360 nan 0.000 0.477 523 M N -0.250 119.064 119.600 -0.476 0.000 2.108 523 M HA -0.202 4.278 4.480 -0.000 0.000 0.257 523 M C 1.115 176.818 176.300 -0.995 0.000 1.071 523 M CA 1.824 56.573 55.300 -0.918 0.000 1.093 523 M CB -0.257 31.228 32.600 -1.859 0.000 1.345 523 M HN 0.184 nan 8.290 nan 0.000 0.403 524 F N -1.858 117.768 119.950 -0.540 0.000 2.727 524 F HA 0.152 4.679 4.527 -0.000 0.000 0.302 524 F C 1.454 177.132 175.800 -0.204 0.000 1.097 524 F CA -0.281 57.336 58.000 -0.639 0.000 1.330 524 F CB -0.169 38.404 39.000 -0.710 0.000 1.084 524 F HN 0.082 nan 8.300 nan 0.000 0.578 525 M N -0.677 118.915 119.600 -0.014 0.000 2.510 525 M HA 0.062 4.541 4.480 -0.000 0.000 0.256 525 M C 0.158 176.482 176.300 0.041 0.000 1.132 525 M CA 0.433 55.754 55.300 0.034 0.000 1.105 525 M CB -0.775 31.828 32.600 0.005 0.000 1.375 525 M HN -0.079 nan 8.290 nan 0.000 0.477 526 D N 2.036 122.446 120.400 0.015 0.000 2.533 526 D HA -0.107 4.533 4.640 -0.000 0.000 0.236 526 D C 1.066 177.423 176.300 0.095 0.000 1.137 526 D CA 0.504 54.527 54.000 0.037 0.000 0.867 526 D CB 1.036 41.849 40.800 0.021 0.000 1.170 526 D HN 0.077 nan 8.370 nan 0.000 0.474 527 E N 2.061 122.295 120.200 0.058 0.000 2.209 527 E HA -0.165 4.185 4.350 -0.000 0.000 0.196 527 E C 1.481 178.117 176.600 0.061 0.000 0.993 527 E CA 1.618 58.047 56.400 0.048 0.000 0.819 527 E CB -0.123 29.590 29.700 0.022 0.000 0.745 527 E HN 0.579 nan 8.360 nan 0.000 0.477 528 T N -0.473 114.133 114.554 0.086 0.000 2.788 528 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 528 T C 1.440 176.246 174.700 0.178 0.000 1.044 528 T CA 1.452 63.611 62.100 0.099 0.000 1.139 528 T CB -0.561 68.362 68.868 0.091 0.000 0.867 528 T HN 0.397 nan 8.240 nan 0.000 0.454 529 Y N 1.599 121.986 120.300 0.145 0.000 2.163 529 Y HA -0.018 4.532 4.550 -0.000 0.000 0.288 529 Y C 2.009 177.949 175.900 0.068 0.000 1.136 529 Y CA 1.072 59.275 58.100 0.171 0.000 1.147 529 Y CB -0.347 38.166 38.460 0.088 0.000 0.987 529 Y HN 0.090 nan 8.280 nan 0.000 0.509 530 L N -0.041 121.195 121.223 0.022 0.000 2.042 530 L HA -0.282 4.057 4.340 -0.000 0.000 0.210 530 L C 2.709 179.469 176.870 -0.184 0.000 1.076 530 L CA 1.778 56.559 54.840 -0.100 0.000 0.749 530 L CB -0.629 41.429 42.059 -0.002 0.000 0.893 530 L HN 0.402 nan 8.230 nan 0.000 0.432 531 M N 0.220 119.750 119.600 -0.118 0.000 2.175 531 M HA -0.156 4.324 4.480 -0.000 0.000 0.264 531 M C 2.525 178.707 176.300 -0.197 0.000 1.063 531 M CA 2.121 57.341 55.300 -0.134 0.000 1.119 531 M CB -0.179 32.379 32.600 -0.071 0.000 1.377 531 M HN 0.387 nan 8.290 nan 0.000 0.415 532 S N 0.501 116.098 115.700 -0.172 0.000 2.442 532 S HA -0.083 4.386 4.470 -0.000 0.000 0.236 532 S C 1.080 175.465 174.600 -0.357 0.000 1.007 532 S CA 1.182 59.293 58.200 -0.148 0.000 0.965 532 S CB -0.581 62.641 63.200 0.036 0.000 0.773 532 S HN 0.585 nan 8.310 nan 0.000 0.504 533 N N 1.145 119.510 118.700 -0.557 0.000 2.238 533 N HA 0.204 4.944 4.740 -0.000 0.000 0.222 533 N C -0.544 174.322 175.510 -1.074 0.000 1.133 533 N CA 0.013 52.523 53.050 -0.899 0.000 0.854 533 N CB 0.365 38.508 38.487 -0.573 0.000 1.041 533 N HN 0.466 nan 8.380 nan 0.000 0.510 534 R N 0.687 120.723 120.500 -0.772 0.000 2.346 534 R HA 0.247 4.587 4.340 -0.000 0.000 0.309 534 R C -0.722 175.323 176.300 -0.425 0.000 1.119 534 R CA -0.521 55.281 56.100 -0.497 0.000 1.112 534 R CB -0.084 30.057 30.300 -0.265 0.000 1.132 534 R HN -0.092 nan 8.270 nan 0.000 0.538 535 F N 2.401 122.323 119.950 -0.047 0.000 2.600 535 F HA 0.022 4.549 4.527 -0.000 0.000 0.345 535 F C 1.599 177.387 175.800 -0.020 0.000 1.271 535 F CA -0.490 57.499 58.000 -0.019 0.000 1.138 535 F CB 0.097 39.110 39.000 0.021 0.000 1.449 535 F HN 0.220 nan 8.300 nan 0.000 0.645 536 V N 2.231 122.191 119.914 0.077 0.000 2.594 536 V HA -0.194 3.926 4.120 -0.000 0.000 0.253 536 V C 1.058 177.210 176.094 0.097 0.000 1.069 536 V CA 1.099 63.428 62.300 0.049 0.000 1.082 536 V CB -0.300 31.521 31.823 -0.004 0.000 0.680 536 V HN 0.505 nan 8.190 nan 0.000 0.469 537 L N 0.615 121.882 121.223 0.072 0.000 2.353 537 L HA 0.463 4.803 4.340 -0.000 0.000 0.270 537 L C -0.420 176.562 176.870 0.186 0.000 1.003 537 L CA 0.050 54.954 54.840 0.106 0.000 0.862 537 L CB 1.574 43.609 42.059 -0.039 0.000 1.221 537 L HN 0.130 nan 8.230 nan 0.000 0.430 538 S N 2.880 118.715 115.700 0.226 0.000 2.438 538 S HA 0.668 5.138 4.470 -0.000 0.000 0.316 538 S C -0.078 174.735 174.600 0.355 0.000 1.084 538 S CA -0.332 58.016 58.200 0.246 0.000 1.107 538 S CB 0.934 64.225 63.200 0.151 0.000 0.981 538 S HN 0.748 nan 8.310 nan 0.000 0.466 539 T N 1.048 115.820 114.554 0.364 0.000 2.888 539 T HA 0.893 5.243 4.350 -0.000 0.000 0.288 539 T C -0.643 174.305 174.700 0.413 0.000 1.063 539 T CA -0.584 61.784 62.100 0.447 0.000 1.010 539 T CB 1.546 70.671 68.868 0.427 0.000 1.214 539 T HN 1.067 nan 8.240 nan 0.000 0.533 540 S N -0.094 115.828 115.700 0.370 0.000 2.606 540 S HA 0.347 4.817 4.470 -0.000 0.000 0.290 540 S C -1.594 172.836 174.600 -0.285 0.000 1.103 540 S CA -0.990 57.306 58.200 0.160 0.000 0.870 540 S CB 1.393 64.777 63.200 0.307 0.000 1.077 540 S HN 1.095 nan 8.310 nan 0.000 0.448 541 Q N 1.562 121.114 119.800 -0.414 0.000 2.290 541 Q HA 0.650 4.990 4.340 -0.000 0.000 0.259 541 Q C -1.501 174.356 176.000 -0.237 0.000 0.941 541 Q CA -0.779 54.585 55.803 -0.732 0.000 0.912 541 Q CB 1.554 30.030 28.738 -0.436 0.000 1.244 541 Q HN 0.720 nan 8.270 nan 0.000 0.441 542 V N 7.362 127.169 119.914 -0.178 0.000 2.383 542 V HA 0.305 4.425 4.120 -0.000 0.000 0.261 542 V C -2.244 173.852 176.094 0.004 0.000 0.987 542 V CA -1.278 61.011 62.300 -0.019 0.000 0.853 542 V CB 0.977 32.834 31.823 0.056 0.000 1.095 542 V HN 0.732 nan 8.190 nan 0.000 0.461 543 P HA 0.324 nan 4.420 nan 0.000 0.276 543 P C -0.236 177.096 177.300 0.053 0.000 1.230 543 P CA 0.357 63.478 63.100 0.034 0.000 0.776 543 P CB 1.465 33.188 31.700 0.039 0.000 0.888 544 T N -2.129 112.462 114.554 0.062 0.000 2.906 544 T HA 0.475 4.824 4.350 -0.000 0.000 0.295 544 T C 0.926 175.661 174.700 0.059 0.000 1.075 544 T CA -0.431 61.710 62.100 0.068 0.000 1.005 544 T CB 1.181 70.104 68.868 0.091 0.000 1.136 544 T HN 0.403 nan 8.240 nan 0.000 0.498 545 T N -1.737 112.847 114.554 0.050 0.000 3.022 545 T HA 0.257 4.607 4.350 -0.000 0.000 0.250 545 T C 0.762 175.485 174.700 0.038 0.000 1.060 545 T CA 0.050 62.174 62.100 0.040 0.000 1.013 545 T CB -0.163 68.724 68.868 0.032 0.000 0.982 545 T HN 0.670 nan 8.240 nan 0.000 0.508 546 T N 1.917 116.498 114.554 0.044 0.000 2.897 546 T HA 0.335 4.684 4.350 -0.000 0.000 0.278 546 T C 0.031 174.775 174.700 0.075 0.000 0.981 546 T CA -0.727 61.398 62.100 0.042 0.000 0.973 546 T CB 1.793 70.672 68.868 0.018 0.000 1.092 546 T HN 0.239 nan 8.240 nan 0.000 0.543 547 E N 1.691 121.940 120.200 0.082 0.000 2.392 547 E HA 0.183 4.533 4.350 -0.000 0.000 0.307 547 E C -0.175 176.534 176.600 0.182 0.000 1.505 547 E CA -0.250 56.222 56.400 0.121 0.000 1.716 547 E CB -0.473 29.288 29.700 0.101 0.000 1.450 547 E HN 0.455 nan 8.360 nan 0.000 0.484 548 M N -0.300 119.416 119.600 0.194 0.000 2.658 548 M HA 0.657 5.137 4.480 -0.000 0.000 0.295 548 M C -1.085 175.374 176.300 0.266 0.000 1.248 548 M CA -1.146 54.277 55.300 0.205 0.000 0.843 548 M CB 1.768 34.503 32.600 0.226 0.000 1.749 548 M HN -0.020 nan 8.290 nan 0.000 0.464 549 F N -0.949 119.080 119.950 0.130 0.000 2.631 549 F HA 0.833 5.360 4.527 -0.000 0.000 0.308 549 F C -1.508 174.346 175.800 0.089 0.000 1.097 549 F CA -1.230 56.825 58.000 0.092 0.000 0.952 549 F CB 0.970 40.017 39.000 0.078 0.000 1.307 549 F HN 0.935 nan 8.300 nan 0.000 0.450 550 C N 2.343 121.807 119.300 0.274 0.000 2.397 550 C HA 0.941 5.401 4.460 -0.000 0.000 0.343 550 C C -0.166 174.954 174.990 0.217 0.000 1.188 550 C CA -0.363 58.756 59.018 0.169 0.000 1.992 550 C CB 0.075 27.904 27.740 0.149 0.000 2.358 550 C HN 1.271 nan 8.230 nan 0.000 0.518 551 C N 3.912 123.285 119.300 0.122 0.000 3.285 551 C HA 0.973 5.432 4.460 -0.000 0.000 0.325 551 C C -1.391 173.586 174.990 -0.021 0.000 1.304 551 C CA -0.769 58.249 59.018 0.000 0.000 1.319 551 C CB 0.707 28.549 27.740 0.170 0.000 1.640 551 C HN 1.138 nan 8.230 nan 0.000 0.477 552 Y N -0.466 119.897 120.300 0.105 0.000 2.689 552 Y HA 0.834 5.384 4.550 -0.001 0.000 0.333 552 Y C -0.007 175.924 175.900 0.052 0.000 1.208 552 Y CA -0.573 57.558 58.100 0.052 0.000 1.055 552 Y CB 0.312 38.833 38.460 0.100 0.000 1.304 552 Y HN 1.253 nan 8.280 nan 0.000 0.455 553 G N 0.374 109.340 108.800 0.276 0.000 2.557 553 G HA2 0.629 4.589 3.960 -0.000 0.000 0.292 553 G HA3 0.629 4.589 3.960 -0.000 0.000 0.292 553 G C -2.961 172.036 174.900 0.161 0.000 1.237 553 G CA -1.988 43.189 45.100 0.128 0.000 0.978 553 G HN 0.475 nan 8.290 nan 0.000 0.498 554 P HA 0.183 nan 4.420 nan 0.000 0.274 554 P C 0.944 178.320 177.300 0.126 0.000 1.256 554 P CA -0.214 62.876 63.100 -0.017 0.000 0.795 554 P CB 1.062 32.578 31.700 -0.305 0.000 1.038 555 V N -2.036 117.944 119.914 0.111 0.000 3.661 555 V HA 0.204 4.324 4.120 -0.000 0.000 0.271 555 V C 0.430 176.572 176.094 0.080 0.000 1.315 555 V CA 0.265 62.607 62.300 0.070 0.000 1.072 555 V CB -0.225 31.592 31.823 -0.011 0.000 0.830 555 V HN 0.332 nan 8.190 nan 0.000 0.443 556 V N -4.777 115.212 119.914 0.124 0.000 2.876 556 V HA 0.650 4.769 4.120 -0.000 0.000 0.312 556 V C -1.845 174.357 176.094 0.181 0.000 1.085 556 V CA -1.949 60.400 62.300 0.082 0.000 0.945 556 V CB 1.318 33.147 31.823 0.010 0.000 1.017 556 V HN -0.013 nan 8.190 nan 0.000 0.428 557 P HA -0.179 nan 4.420 nan 0.000 0.218 557 P C 0.749 178.149 177.300 0.166 0.000 1.154 557 P CA 2.129 65.275 63.100 0.076 0.000 0.872 557 P CB -0.045 31.617 31.700 -0.063 0.000 0.790 558 N N -1.182 117.549 118.700 0.053 0.000 2.320 558 N HA 0.147 4.887 4.740 -0.000 0.000 0.237 558 N C 0.437 175.894 175.510 -0.088 0.000 1.129 558 N CA -0.052 52.984 53.050 -0.023 0.000 0.854 558 N CB -0.198 38.267 38.487 -0.036 0.000 1.083 558 N HN 0.000 nan 8.380 nan 0.000 0.504 559 G N -0.805 107.954 108.800 -0.069 0.000 3.016 559 G HA2 0.603 4.563 3.960 -0.000 0.000 0.270 559 G HA3 0.603 4.563 3.960 -0.000 0.000 0.270 559 G C -1.585 173.122 174.900 -0.322 0.000 1.352 559 G CA -0.554 44.482 45.100 -0.107 0.000 1.060 559 G HN 0.130 nan 8.290 nan 0.000 0.538 560 Y N -1.550 118.710 120.300 -0.067 0.000 2.598 560 Y HA 0.614 5.164 4.550 -0.000 0.000 0.340 560 Y C 0.675 176.555 175.900 -0.034 0.000 1.038 560 Y CA -0.504 57.507 58.100 -0.148 0.000 1.100 560 Y CB 2.695 40.945 38.460 -0.350 0.000 1.281 560 Y HN 0.682 nan 8.280 nan 0.000 0.488 561 G N 0.420 109.338 108.800 0.197 0.000 2.605 561 G HA2 0.609 4.569 3.960 -0.000 0.000 0.304 561 G HA3 0.609 4.569 3.960 -0.000 0.000 0.304 561 G C -1.561 173.466 174.900 0.212 0.000 1.333 561 G CA -0.657 44.599 45.100 0.260 0.000 0.973 561 G HN 0.739 nan 8.290 nan 0.000 0.507 562 A N 1.744 124.739 122.820 0.291 0.000 2.409 562 A HA 0.564 4.884 4.320 -0.000 0.000 0.300 562 A C -0.560 177.220 177.584 0.327 0.000 1.273 562 A CA -0.557 51.672 52.037 0.319 0.000 0.774 562 A CB 0.776 20.032 19.000 0.427 0.000 1.144 562 A HN 1.007 nan 8.150 nan 0.000 0.472 563 C N 4.713 124.077 119.300 0.108 0.000 2.301 563 C HA 0.833 5.293 4.460 -0.000 0.000 0.323 563 C C -0.789 174.272 174.990 0.118 0.000 1.265 563 C CA -0.774 58.258 59.018 0.022 0.000 1.503 563 C CB -0.788 26.770 27.740 -0.304 0.000 2.195 563 C HN 0.776 nan 8.230 nan 0.000 0.477 564 Y N 3.682 124.000 120.300 0.030 0.000 2.528 564 Y HA 0.672 5.222 4.550 -0.000 0.000 0.335 564 Y C -0.198 175.627 175.900 -0.125 0.000 1.093 564 Y CA -1.619 56.361 58.100 -0.199 0.000 1.134 564 Y CB 0.741 38.925 38.460 -0.461 0.000 1.253 564 Y HN 0.550 nan 8.280 nan 0.000 0.478 565 N N 3.453 122.112 118.700 -0.068 0.000 2.617 565 N HA 0.341 5.081 4.740 -0.000 0.000 0.263 565 N C -3.380 172.117 175.510 -0.021 0.000 1.074 565 N CA -2.225 50.811 53.050 -0.024 0.000 0.841 565 N CB 1.743 40.241 38.487 0.018 0.000 1.221 565 N HN 0.502 nan 8.380 nan 0.000 0.529 566 P HA 0.224 nan 4.420 nan 0.000 0.281 566 P C -0.711 176.613 177.300 0.041 0.000 1.252 566 P CA -0.221 62.904 63.100 0.041 0.000 0.778 566 P CB 1.581 33.345 31.700 0.106 0.000 0.895 567 Q N 3.422 123.241 119.800 0.032 0.000 2.418 567 Q HA 0.354 4.693 4.340 -0.000 0.000 0.276 567 Q C -1.769 174.260 176.000 0.048 0.000 1.081 567 Q CA -2.097 53.727 55.803 0.035 0.000 0.864 567 Q CB 0.234 28.984 28.738 0.020 0.000 1.384 567 Q HN 0.188 nan 8.270 nan 0.000 0.467 568 P HA -0.147 nan 4.420 nan 0.000 0.216 568 P C 0.380 177.725 177.300 0.074 0.000 1.153 568 P CA 1.575 64.707 63.100 0.054 0.000 0.858 568 P CB 0.483 32.206 31.700 0.039 0.000 0.789 569 E N -1.669 118.564 120.200 0.055 0.000 2.562 569 E HA 0.137 4.486 4.350 -0.000 0.000 0.214 569 E C 0.660 177.273 176.600 0.020 0.000 0.979 569 E CA 0.455 56.889 56.400 0.057 0.000 1.002 569 E CB 0.360 30.075 29.700 0.026 0.000 1.048 569 E HN 0.324 nan 8.360 nan 0.000 0.488 570 T N -2.201 112.362 114.554 0.015 0.000 2.762 570 T HA 0.742 5.092 4.350 -0.000 0.000 0.301 570 T C -0.658 174.051 174.700 0.015 0.000 1.299 570 T CA -0.790 61.296 62.100 -0.023 0.000 1.005 570 T CB 1.531 70.353 68.868 -0.077 0.000 1.377 570 T HN -0.048 nan 8.240 nan 0.000 0.504 571 I N 1.217 121.799 120.570 0.019 0.000 2.548 571 I HA 0.424 4.593 4.170 -0.000 0.000 0.287 571 I C -1.346 174.650 176.117 -0.202 0.000 1.103 571 I CA -0.991 60.255 61.300 -0.091 0.000 1.049 571 I CB 2.088 40.026 38.000 -0.104 0.000 1.232 571 I HN 0.588 nan 8.210 nan 0.000 0.429 572 L N 6.526 127.592 121.223 -0.261 0.000 2.312 572 L HA 0.557 4.897 4.340 -0.000 0.000 0.281 572 L C -1.424 175.243 176.870 -0.339 0.000 1.070 572 L CA 0.408 55.108 54.840 -0.234 0.000 0.805 572 L CB 0.642 42.599 42.059 -0.170 0.000 1.174 572 L HN 0.290 nan 8.230 nan 0.000 0.434 573 F N 3.781 123.715 119.950 -0.027 0.000 2.477 573 F HA 0.396 4.923 4.527 -0.000 0.000 0.335 573 F C -0.279 175.518 175.800 -0.005 0.000 1.130 573 F CA -0.417 57.627 58.000 0.073 0.000 0.948 573 F CB 1.488 40.581 39.000 0.154 0.000 1.154 573 F HN 0.313 nan 8.300 nan 0.000 0.439 574 C N 5.693 125.102 119.300 0.181 0.000 2.251 574 C HA 0.643 5.102 4.460 -0.000 0.000 0.323 574 C C 0.075 175.136 174.990 0.118 0.000 1.241 574 C CA -0.931 58.128 59.018 0.069 0.000 1.601 574 C CB -0.791 27.104 27.740 0.259 0.000 2.251 574 C HN 0.572 nan 8.230 nan 0.000 0.488 575 I N 4.114 124.657 120.570 -0.046 0.000 2.406 575 I HA 0.446 4.616 4.170 -0.000 0.000 0.290 575 I C 0.270 176.445 176.117 0.098 0.000 0.999 575 I CA 0.310 61.664 61.300 0.090 0.000 1.124 575 I CB 1.540 39.633 38.000 0.156 0.000 1.289 575 I HN 0.671 nan 8.210 nan 0.000 0.441 576 S N 4.154 119.982 115.700 0.214 0.000 2.566 576 S HA 0.931 5.400 4.470 -0.000 0.000 0.298 576 S C -0.477 174.094 174.600 -0.047 0.000 1.083 576 S CA -0.551 57.754 58.200 0.174 0.000 0.978 576 S CB 2.148 65.463 63.200 0.192 0.000 1.073 576 S HN 0.735 nan 8.310 nan 0.000 0.491 577 S N 0.583 116.120 115.700 -0.271 0.000 2.636 577 S HA 0.698 5.168 4.470 -0.000 0.000 0.266 577 S C -1.583 172.666 174.600 -0.585 0.000 1.147 577 S CA -1.109 56.770 58.200 -0.535 0.000 0.815 577 S CB 0.086 62.990 63.200 -0.493 0.000 1.119 577 S HN 0.644 nan 8.310 nan 0.000 0.470 578 F N 0.887 120.734 119.950 -0.171 0.000 2.421 578 F HA 0.484 5.011 4.527 -0.001 0.000 0.337 578 F C 1.617 177.355 175.800 -0.104 0.000 1.105 578 F CA -0.687 57.237 58.000 -0.127 0.000 1.049 578 F CB 1.116 40.072 39.000 -0.073 0.000 1.139 578 F HN 0.802 nan 8.300 nan 0.000 0.479 579 H N -0.240 118.946 119.070 0.193 0.000 2.491 579 H HA -0.143 4.413 4.556 -0.000 0.000 0.290 579 H C 2.231 177.606 175.328 0.078 0.000 1.050 579 H CA 1.267 57.379 56.048 0.106 0.000 1.309 579 H CB 0.327 30.146 29.762 0.094 0.000 1.392 579 H HN 0.625 nan 8.280 nan 0.000 0.554 580 S N -0.111 115.708 115.700 0.199 0.000 2.399 580 S HA -0.136 4.334 4.470 -0.000 0.000 0.231 580 S C 1.043 175.682 174.600 0.065 0.000 1.022 580 S CA 0.418 58.675 58.200 0.094 0.000 0.983 580 S CB -0.370 62.844 63.200 0.024 0.000 0.803 580 S HN 0.482 nan 8.310 nan 0.000 0.480 581 C N 2.354 121.701 119.300 0.078 0.000 2.281 581 C HA 0.768 5.228 4.460 -0.000 0.000 0.336 581 C C 1.762 176.771 174.990 0.032 0.000 1.217 581 C CA -0.601 58.437 59.018 0.033 0.000 1.730 581 C CB -0.359 27.387 27.740 0.010 0.000 2.338 581 C HN 0.549 nan 8.230 nan 0.000 0.521 582 A N 4.657 127.495 122.820 0.029 0.000 2.067 582 A HA 0.124 4.443 4.320 -0.000 0.000 0.219 582 A C 2.199 179.807 177.584 0.041 0.000 1.158 582 A CA 1.881 53.940 52.037 0.038 0.000 0.661 582 A CB -0.416 18.601 19.000 0.028 0.000 0.801 582 A HN 1.285 nan 8.150 nan 0.000 0.452 583 A N -0.085 122.748 122.820 0.021 0.000 1.854 583 A HA 0.124 4.444 4.320 -0.000 0.000 0.214 583 A C 1.753 179.404 177.584 0.111 0.000 1.192 583 A CA 1.569 53.634 52.037 0.047 0.000 0.611 583 A CB -1.373 17.612 19.000 -0.025 0.000 0.832 583 A HN 0.698 nan 8.150 nan 0.000 0.442 584 T N -1.721 112.815 114.554 -0.030 0.000 2.898 584 T HA 0.451 4.801 4.350 -0.000 0.000 0.301 584 T C -0.124 174.615 174.700 0.064 0.000 1.049 584 T CA 0.378 62.430 62.100 -0.080 0.000 1.095 584 T CB 1.176 69.676 68.868 -0.613 0.000 0.976 584 T HN 0.612 nan 8.240 nan 0.000 0.539 585 S N 0.885 116.730 115.700 0.242 0.000 2.652 585 S HA 0.380 4.850 4.470 -0.000 0.000 0.273 585 S C 0.899 175.706 174.600 0.345 0.000 1.172 585 S CA -0.664 57.667 58.200 0.217 0.000 1.009 585 S CB 1.231 64.529 63.200 0.163 0.000 1.094 585 S HN 0.722 nan 8.310 nan 0.000 0.471 586 S N 2.941 118.783 115.700 0.236 0.000 2.368 586 S HA -0.075 4.394 4.470 -0.000 0.000 0.225 586 S C 2.021 176.697 174.600 0.126 0.000 1.030 586 S CA 1.659 59.996 58.200 0.229 0.000 0.999 586 S CB -0.307 62.951 63.200 0.097 0.000 0.844 586 S HN 0.717 nan 8.310 nan 0.000 0.459 587 S N 1.327 117.068 115.700 0.070 0.000 2.353 587 S HA -0.115 4.354 4.470 -0.000 0.000 0.222 587 S C 1.913 176.484 174.600 -0.048 0.000 1.035 587 S CA 1.275 59.472 58.200 -0.005 0.000 1.025 587 S CB -0.226 62.978 63.200 0.007 0.000 0.902 587 S HN 0.460 nan 8.310 nan 0.000 0.440 588 K N -0.185 120.214 120.400 -0.001 0.000 2.057 588 K HA -0.090 4.229 4.320 -0.000 0.000 0.207 588 K C 1.868 178.405 176.600 -0.105 0.000 1.049 588 K CA 1.369 57.622 56.287 -0.056 0.000 0.931 588 K CB -0.314 32.171 32.500 -0.024 0.000 0.714 588 K HN 0.318 nan 8.250 nan 0.000 0.440 589 F N 1.589 121.432 119.950 -0.178 0.000 2.186 589 F HA -0.154 4.373 4.527 -0.000 0.000 0.299 589 F C 2.173 177.771 175.800 -0.338 0.000 1.090 589 F CA 1.189 58.995 58.000 -0.322 0.000 1.307 589 F CB -0.270 38.406 39.000 -0.540 0.000 1.019 589 F HN -0.030 nan 8.300 nan 0.000 0.489 590 A N -0.050 122.626 122.820 -0.240 0.000 1.933 590 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 590 A C 2.134 179.320 177.584 -0.664 0.000 1.175 590 A CA 1.915 53.689 52.037 -0.439 0.000 0.628 590 A CB -0.725 18.075 19.000 -0.334 0.000 0.814 590 A HN 0.358 nan 8.150 nan 0.000 0.444 591 K N 0.314 120.418 120.400 -0.494 0.000 2.057 591 K HA 0.036 4.355 4.320 -0.000 0.000 0.207 591 K C 1.936 178.289 176.600 -0.412 0.000 1.049 591 K CA 1.685 57.712 56.287 -0.432 0.000 0.931 591 K CB -0.595 31.738 32.500 -0.279 0.000 0.714 591 K HN 0.298 nan 8.250 nan 0.000 0.440 592 A N 0.068 122.618 122.820 -0.450 0.000 1.972 592 A HA -0.066 4.253 4.320 -0.000 0.000 0.219 592 A C 2.265 179.531 177.584 -0.530 0.000 1.169 592 A CA 1.618 53.383 52.037 -0.452 0.000 0.635 592 A CB -0.599 18.105 19.000 -0.493 0.000 0.810 592 A HN 0.142 nan 8.150 nan 0.000 0.446 593 V N -0.098 119.385 119.914 -0.718 0.000 2.358 593 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 593 V C 2.499 178.272 176.094 -0.536 0.000 1.047 593 V CA 2.217 64.075 62.300 -0.737 0.000 1.035 593 V CB -0.592 30.632 31.823 -0.998 0.000 0.658 593 V HN 0.786 nan 8.190 nan 0.000 0.452 594 E N 0.322 120.270 120.200 -0.420 0.000 2.051 594 E HA -0.268 4.081 4.350 -0.000 0.000 0.192 594 E C 2.165 178.701 176.600 -0.107 0.000 0.991 594 E CA 1.763 58.072 56.400 -0.152 0.000 0.799 594 E CB -0.093 29.559 29.700 -0.080 0.000 0.748 594 E HN 0.721 nan 8.360 nan 0.000 0.449 595 E N 0.061 120.168 120.200 -0.155 0.000 2.110 595 E HA -0.137 4.212 4.350 -0.000 0.000 0.193 595 E C 2.276 178.821 176.600 -0.092 0.000 0.988 595 E CA 1.191 57.533 56.400 -0.096 0.000 0.804 595 E CB -0.005 29.622 29.700 -0.123 0.000 0.745 595 E HN 0.144 nan 8.360 nan 0.000 0.458 596 S N 1.102 116.702 115.700 -0.166 0.000 2.368 596 S HA -0.082 4.388 4.470 -0.000 0.000 0.224 596 S C 2.058 176.616 174.600 -0.069 0.000 1.029 596 S CA 0.749 58.872 58.200 -0.128 0.000 0.988 596 S CB -0.137 62.949 63.200 -0.190 0.000 0.838 596 S HN 0.172 nan 8.310 nan 0.000 0.462 597 L N 0.990 122.123 121.223 -0.149 0.000 2.093 597 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 597 L C 2.150 179.156 176.870 0.228 0.000 1.085 597 L CA 0.691 55.498 54.840 -0.054 0.000 0.755 597 L CB -0.516 41.108 42.059 -0.725 0.000 0.904 597 L HN 0.287 nan 8.230 nan 0.000 0.435 598 I N -0.107 120.569 120.570 0.175 0.000 2.202 598 I HA -0.255 3.915 4.170 -0.000 0.000 0.242 598 I C 2.189 178.404 176.117 0.164 0.000 1.091 598 I CA 1.427 62.869 61.300 0.237 0.000 1.368 598 I CB -1.125 36.977 38.000 0.169 0.000 1.058 598 I HN 0.255 nan 8.210 nan 0.000 0.410 599 D N 0.647 121.108 120.400 0.102 0.000 2.133 599 D HA -0.206 4.433 4.640 -0.000 0.000 0.195 599 D C 2.358 178.740 176.300 0.137 0.000 0.997 599 D CA 1.390 55.443 54.000 0.088 0.000 0.840 599 D CB -0.184 40.640 40.800 0.040 0.000 0.947 599 D HN 0.297 nan 8.370 nan 0.000 0.452 600 M N -0.250 119.449 119.600 0.165 0.000 2.175 600 M HA -0.093 4.387 4.480 -0.000 0.000 0.264 600 M C 2.269 178.739 176.300 0.285 0.000 1.063 600 M CA 0.890 56.297 55.300 0.178 0.000 1.119 600 M CB -0.023 32.587 32.600 0.017 0.000 1.377 600 M HN -0.072 nan 8.290 nan 0.000 0.415 601 R N 0.885 121.564 120.500 0.297 0.000 2.070 601 R HA -0.181 4.159 4.340 -0.000 0.000 0.233 601 R C 1.451 177.848 176.300 0.162 0.000 1.137 601 R CA 2.161 58.352 56.100 0.151 0.000 0.945 601 R CB -0.327 29.905 30.300 -0.114 0.000 0.845 601 R HN 0.281 nan 8.270 nan 0.000 0.430 602 D N 0.866 121.338 120.400 0.119 0.000 2.149 602 D HA -0.187 4.453 4.640 -0.000 0.000 0.198 602 D C 2.051 178.419 176.300 0.113 0.000 0.990 602 D CA 1.098 55.157 54.000 0.098 0.000 0.839 602 D CB -0.244 40.603 40.800 0.079 0.000 0.948 602 D HN 0.305 nan 8.370 nan 0.000 0.460 603 L N 0.140 121.442 121.223 0.131 0.000 2.017 603 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 603 L C 2.291 179.231 176.870 0.117 0.000 1.073 603 L CA 0.850 55.761 54.840 0.119 0.000 0.745 603 L CB -0.276 41.865 42.059 0.136 0.000 0.894 603 L HN 0.111 nan 8.230 nan 0.000 0.432 604 C N -0.963 118.437 119.300 0.167 0.000 2.511 604 C HA -0.008 4.452 4.460 -0.000 0.000 0.277 604 C C 1.992 177.065 174.990 0.139 0.000 1.451 604 C CA 0.319 59.427 59.018 0.150 0.000 1.735 604 C CB -0.964 26.902 27.740 0.209 0.000 1.704 604 C HN 0.359 nan 8.230 nan 0.000 0.571 605 S N 0.186 115.974 115.700 0.148 0.000 2.651 605 S HA 0.304 4.774 4.470 -0.000 0.000 0.246 605 S C 1.135 175.781 174.600 0.076 0.000 1.039 605 S CA -0.224 58.048 58.200 0.121 0.000 1.013 605 S CB 0.059 63.341 63.200 0.136 0.000 0.861 605 S HN 0.493 nan 8.310 nan 0.000 0.485 606 L N 0.209 121.470 121.223 0.063 0.000 1.995 606 L HA 0.364 4.704 4.340 -0.000 0.000 0.206 606 L C 0.394 177.285 176.870 0.036 0.000 1.098 606 L CA 0.694 55.562 54.840 0.047 0.000 0.762 606 L CB -0.056 42.029 42.059 0.043 0.000 0.900 606 L HN 0.314 nan 8.230 nan 0.000 0.441 607 L N 0.000 121.241 121.223 0.030 0.000 2.949 607 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 607 L CA 0.000 54.852 54.840 0.021 0.000 0.813 607 L CB 0.000 42.070 42.059 0.018 0.000 0.961 607 L HN 0.000 nan 8.230 nan 0.000 0.502