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 1djn_1_A DATA FIRST_RESID 1 DATA SEQUENCE ARDPKHDILF EPIQIGPKTL RNRFYQVPHC IGAGSDKPGF QSAHRSVKAE DATA SEQUENCE GGWAALNTEY CSINPESDDT HRLSARIWDE GDVRNLKAMT DEVHKYGALA DATA SEQUENCE GVELWYGGAH APNMESRATP RGPSQYASEF ETLSYCKEMD LSDIAQVQQF DATA SEQUENCE YVDAAKRSRD AGFDIVYVYG AHSYLPLQFL NPYYNKRTDK YGGSLENRAR DATA SEQUENCE FWLETLEKVK HAVGSDCAIA TRFGVDTVYG PGQIEAEVDG QKFVEMADSL DATA SEQUENCE VDMWDITIGD IAEWGEDAGP SRFYQQGHTI PWVKLVKQVS KKPVLGVGRY DATA SEQUENCE TDPEKMIEIV TKGYADIIGC ARPSIADPFL PQKVEQGRYD DIRVCIGCNV DATA SEQUENCE CISRWEIGGP PMICTQNATA GEEYRRGWHP EKFRQTKNKD SVLIVGAGPS DATA SEQUENCE GSEAARVLME SGYTVHLTDT AEKIGGHLNQ VAALPGLGEW SYHRDYRETQ DATA SEQUENCE ITKLLKKNKE SQLALGQKPM TADDVLQYGA DKVIIATGAR WNTDGTNCLT DATA SEQUENCE HDPIPGADAS LPDQLTPEQV MDGKKKIGKR VVILNADTYF MAPSLAEKLA DATA SEQUENCE TAGHEVTIVS GVHLANYMHF TLEYPNMMRR LHELHVEELG DHFCSRIEPG DATA SEQUENCE RMEIYNIWGD GSKRTYRGPG VSPRDANTSH RWIEFDSLVL VTGRHSECTL DATA SEQUENCE WNELKARESE WAENDIKGIY LIGDAEAPRL IADATFTGHR VAREIEEANP DATA SEQUENCE QIAIPYKRET IAWGTPHMPG GNFKIEYKV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.590 177.584 0.009 0.000 1.274 1 A CA 0.000 52.028 52.037 -0.015 0.000 0.836 1 A CB 0.000 19.001 19.000 0.002 0.000 0.831 2 R N 1.298 121.798 120.500 -0.000 0.000 2.438 2 R HA 0.263 4.606 4.340 0.005 0.000 0.287 2 R C -0.637 175.738 176.300 0.126 0.000 1.077 2 R CA -0.341 55.810 56.100 0.084 0.000 1.034 2 R CB 0.582 30.906 30.300 0.040 0.000 0.993 2 R HN 0.765 nan 8.270 nan 0.000 0.459 3 D N 5.731 126.252 120.400 0.201 0.000 2.401 3 D HA 0.017 4.660 4.640 0.005 0.000 0.254 3 D C -1.399 174.864 176.300 -0.063 0.000 1.192 3 D CA -1.925 52.066 54.000 -0.016 0.000 0.885 3 D CB 1.421 42.064 40.800 -0.262 0.000 1.147 3 D HN 0.382 nan 8.370 nan 0.000 0.478 4 P HA -0.195 nan 4.420 nan 0.000 0.218 4 P C 0.961 178.256 177.300 -0.008 0.000 1.146 4 P CA 1.064 64.163 63.100 -0.002 0.000 0.813 4 P CB 0.330 32.027 31.700 -0.005 0.000 0.778 5 K N -0.828 119.510 120.400 -0.102 0.000 2.209 5 K HA -0.147 4.177 4.320 0.005 0.000 0.204 5 K C 1.743 178.385 176.600 0.070 0.000 1.048 5 K CA 1.101 57.346 56.287 -0.071 0.000 0.940 5 K CB -0.468 31.938 32.500 -0.157 0.000 0.729 5 K HN 0.508 nan 8.250 nan 0.000 0.451 6 H N -0.688 118.465 119.070 0.138 0.000 2.539 6 H HA 0.025 4.584 4.556 0.005 0.000 0.267 6 H C 0.819 176.318 175.328 0.284 0.000 0.982 6 H CA -0.311 55.861 56.048 0.207 0.000 1.146 6 H CB 0.344 30.298 29.762 0.319 0.000 1.382 6 H HN 0.172 nan 8.280 nan 0.000 0.577 7 D N 1.071 121.656 120.400 0.309 0.000 2.178 7 D HA -0.148 4.495 4.640 0.005 0.000 0.201 7 D C 1.939 178.394 176.300 0.257 0.000 0.980 7 D CA 0.657 54.836 54.000 0.299 0.000 0.842 7 D CB 0.088 40.985 40.800 0.162 0.000 0.948 7 D HN 0.422 nan 8.370 nan 0.000 0.472 8 I N 0.292 120.953 120.570 0.152 0.000 2.454 8 I HA -0.211 3.962 4.170 0.005 0.000 0.254 8 I C 1.429 177.537 176.117 -0.015 0.000 1.156 8 I CA 0.904 62.240 61.300 0.061 0.000 1.433 8 I CB 0.135 38.147 38.000 0.020 0.000 1.082 8 I HN 0.042 nan 8.210 nan 0.000 0.432 9 L N -0.376 120.808 121.223 -0.064 0.000 2.456 9 L HA -0.107 4.236 4.340 0.005 0.000 0.224 9 L C 1.023 177.543 176.870 -0.583 0.000 1.148 9 L CA 0.768 55.377 54.840 -0.386 0.000 0.825 9 L CB -0.358 41.415 42.059 -0.477 0.000 0.937 9 L HN 0.213 nan 8.230 nan 0.000 0.450 10 F N -0.724 119.282 119.950 0.094 0.000 2.654 10 F HA 0.204 4.734 4.527 0.006 0.000 0.303 10 F C 0.860 176.701 175.800 0.068 0.000 1.099 10 F CA -0.513 57.551 58.000 0.105 0.000 1.270 10 F CB 0.272 39.337 39.000 0.109 0.000 1.024 10 F HN -0.038 nan 8.300 nan 0.000 0.548 11 E N 1.873 122.140 120.200 0.111 0.000 2.301 11 E HA 0.223 4.576 4.350 0.005 0.000 0.275 11 E C -2.298 174.338 176.600 0.059 0.000 1.030 11 E CA -2.005 54.445 56.400 0.084 0.000 0.852 11 E CB 0.653 30.382 29.700 0.048 0.000 1.060 11 E HN -0.058 nan 8.360 nan 0.000 0.401 12 P HA 0.188 nan 4.420 nan 0.000 0.274 12 P C -0.795 176.530 177.300 0.041 0.000 1.246 12 P CA -0.127 63.010 63.100 0.062 0.000 0.795 12 P CB 0.704 32.442 31.700 0.064 0.000 1.006 13 I N 0.478 121.074 120.570 0.043 0.000 2.571 13 I HA 0.254 4.427 4.170 0.005 0.000 0.289 13 I C -1.078 175.061 176.117 0.036 0.000 1.115 13 I CA -1.023 60.294 61.300 0.029 0.000 1.045 13 I CB 2.069 40.077 38.000 0.013 0.000 1.238 13 I HN 0.133 nan 8.210 nan 0.000 0.424 14 Q N 7.613 127.429 119.800 0.026 0.000 2.296 14 Q HA 0.442 4.785 4.340 0.005 0.000 0.262 14 Q C -0.924 175.086 176.000 0.017 0.000 0.981 14 Q CA 0.024 55.841 55.803 0.024 0.000 0.905 14 Q CB 0.724 29.473 28.738 0.017 0.000 1.186 14 Q HN 0.559 nan 8.270 nan 0.000 0.399 15 I N 2.480 123.061 120.570 0.020 0.000 2.502 15 I HA 0.774 4.947 4.170 0.005 0.000 0.276 15 I C 0.665 176.780 176.117 -0.003 0.000 1.057 15 I CA -0.394 60.908 61.300 0.003 0.000 1.163 15 I CB 0.703 38.706 38.000 0.006 0.000 1.288 15 I HN 0.754 nan 8.210 nan 0.000 0.479 16 G N 7.301 116.093 108.800 -0.013 0.000 2.591 16 G HA2 -0.280 3.684 3.960 0.005 0.000 0.298 16 G HA3 -0.280 3.684 3.960 0.005 0.000 0.298 16 G C -1.580 173.319 174.900 -0.002 0.000 1.195 16 G CA 0.321 45.413 45.100 -0.015 0.000 0.989 16 G HN 0.581 nan 8.290 nan 0.000 0.551 17 P HA 0.243 nan 4.420 nan 0.000 0.249 17 P C 0.131 177.441 177.300 0.015 0.000 1.229 17 P CA 0.799 63.902 63.100 0.006 0.000 0.788 17 P CB 0.325 32.027 31.700 0.003 0.000 1.072 18 K N -0.097 120.317 120.400 0.024 0.000 2.295 18 K HA 0.560 4.883 4.320 0.005 0.000 0.239 18 K C -0.175 176.453 176.600 0.046 0.000 0.991 18 K CA -0.351 55.960 56.287 0.040 0.000 0.845 18 K CB 1.509 34.044 32.500 0.059 0.000 1.197 18 K HN -0.228 nan 8.250 nan 0.000 0.441 19 T N 1.445 116.033 114.554 0.057 0.000 2.841 19 T HA 0.445 4.798 4.350 0.005 0.000 0.285 19 T C -0.018 174.735 174.700 0.088 0.000 0.991 19 T CA -0.677 61.460 62.100 0.062 0.000 0.966 19 T CB 0.916 69.815 68.868 0.051 0.000 0.962 19 T HN 0.229 nan 8.240 nan 0.000 0.438 20 L N 3.958 125.241 121.223 0.101 0.000 2.305 20 L HA 0.410 4.753 4.340 0.005 0.000 0.281 20 L C 2.071 179.012 176.870 0.118 0.000 1.085 20 L CA -0.764 54.158 54.840 0.135 0.000 0.813 20 L CB 1.070 43.226 42.059 0.161 0.000 1.157 20 L HN 0.733 nan 8.230 nan 0.000 0.436 21 R N 1.778 122.357 120.500 0.132 0.000 2.148 21 R HA -0.071 4.273 4.340 0.005 0.000 0.227 21 R C 0.065 176.452 176.300 0.144 0.000 1.103 21 R CA 1.148 57.326 56.100 0.130 0.000 0.983 21 R CB -0.345 30.036 30.300 0.135 0.000 0.874 21 R HN 0.819 nan 8.270 nan 0.000 0.451 22 N N -1.599 117.186 118.700 0.142 0.000 3.243 22 N HA 0.200 4.943 4.740 0.005 0.000 0.280 22 N C -0.528 174.994 175.510 0.020 0.000 1.545 22 N CA -1.137 51.967 53.050 0.089 0.000 0.854 22 N CB 0.598 39.171 38.487 0.143 0.000 1.612 22 N HN -0.241 nan 8.380 nan 0.000 0.577 23 R N -0.672 119.724 120.500 -0.174 0.000 2.335 23 R HA 0.278 4.621 4.340 0.005 0.000 0.223 23 R C -0.537 175.550 176.300 -0.355 0.000 0.940 23 R CA 0.023 55.958 56.100 -0.275 0.000 1.086 23 R CB -1.097 28.947 30.300 -0.425 0.000 1.073 23 R HN 0.462 nan 8.270 nan 0.000 0.504 24 F N 0.612 120.542 119.950 -0.034 0.000 2.391 24 F HA 0.225 4.755 4.527 0.005 0.000 0.359 24 F C 0.011 176.083 175.800 0.454 0.000 1.122 24 F CA -0.930 57.105 58.000 0.058 0.000 1.120 24 F CB 0.632 39.391 39.000 -0.401 0.000 1.142 24 F HN -0.094 nan 8.300 nan 0.000 0.483 25 Y N 3.874 124.511 120.300 0.561 0.000 2.338 25 Y HA 0.260 4.813 4.550 0.005 0.000 0.333 25 Y C -0.509 175.617 175.900 0.377 0.000 0.968 25 Y CA -0.915 57.452 58.100 0.446 0.000 1.123 25 Y CB 1.189 39.804 38.460 0.260 0.000 1.165 25 Y HN 0.481 nan 8.280 nan 0.000 0.452 26 Q N 7.164 126.945 119.800 -0.033 0.000 2.361 26 Q HA 0.359 4.703 4.340 0.005 0.000 0.250 26 Q C -0.511 175.419 176.000 -0.116 0.000 1.023 26 Q CA -0.514 55.163 55.803 -0.209 0.000 0.915 26 Q CB 0.601 29.071 28.738 -0.448 0.000 1.238 26 Q HN 0.751 nan 8.270 nan 0.000 0.451 27 V N 2.710 122.732 119.914 0.180 0.000 3.237 27 V HA 0.355 4.479 4.120 0.005 0.000 0.305 27 V C -2.368 173.757 176.094 0.053 0.000 1.096 27 V CA -1.596 60.855 62.300 0.252 0.000 1.130 27 V CB -0.149 31.845 31.823 0.284 0.000 1.048 27 V HN 0.655 nan 8.190 nan 0.000 0.484 28 P HA 0.325 nan 4.420 nan 0.000 0.268 28 P C -1.075 176.121 177.300 -0.173 0.000 1.204 28 P CA 0.718 63.669 63.100 -0.249 0.000 0.768 28 P CB 0.001 31.422 31.700 -0.464 0.000 0.842 29 H N -0.039 118.874 119.070 -0.262 0.000 3.079 29 H HA 0.443 5.002 4.556 0.005 0.000 0.356 29 H C -1.091 174.052 175.328 -0.308 0.000 1.221 29 H CA -0.902 54.975 56.048 -0.286 0.000 1.185 29 H CB -0.280 29.380 29.762 -0.171 0.000 1.882 29 H HN 0.256 nan 8.280 nan 0.000 0.543 30 C N 2.743 121.857 119.300 -0.311 0.000 2.689 30 C HA 0.308 4.771 4.460 0.005 0.000 0.409 30 C C 1.891 176.811 174.990 -0.116 0.000 1.293 30 C CA 0.341 59.169 59.018 -0.318 0.000 2.136 30 C CB -1.036 26.326 27.740 -0.629 0.000 2.719 30 C HN 0.926 nan 8.230 nan 0.000 0.644 31 I N -1.355 119.109 120.570 -0.177 0.000 4.827 31 I HA 0.391 4.564 4.170 0.005 0.000 0.362 31 I C 1.015 177.041 176.117 -0.152 0.000 1.237 31 I CA 0.526 61.707 61.300 -0.198 0.000 1.366 31 I CB -0.406 37.294 38.000 -0.501 0.000 1.742 31 I HN 0.864 nan 8.210 nan 0.000 0.588 32 G N 2.116 110.857 108.800 -0.099 0.000 2.149 32 G HA2 -0.154 3.809 3.960 0.005 0.000 0.235 32 G HA3 -0.154 3.809 3.960 0.005 0.000 0.235 32 G C 0.531 175.354 174.900 -0.129 0.000 1.018 32 G CA 0.469 45.565 45.100 -0.007 0.000 0.728 32 G HN 0.868 nan 8.290 nan 0.000 0.508 33 A N -1.240 121.360 122.820 -0.366 0.000 1.995 33 A HA 0.736 5.059 4.320 0.005 0.000 0.200 33 A C 2.603 180.036 177.584 -0.252 0.000 1.566 33 A CA 1.895 53.693 52.037 -0.399 0.000 0.895 33 A CB -0.450 18.047 19.000 -0.839 0.000 1.046 33 A HN 2.461 nan 8.150 nan 0.000 0.523 34 G N -0.294 108.348 108.800 -0.263 0.000 2.611 34 G HA2 -0.300 3.663 3.960 0.005 0.000 0.301 34 G HA3 -0.300 3.663 3.960 0.005 0.000 0.301 34 G C 0.821 175.599 174.900 -0.203 0.000 1.233 34 G CA 0.778 45.742 45.100 -0.227 0.000 0.993 34 G HN 1.013 nan 8.290 nan 0.000 0.553 35 S N 0.756 116.336 115.700 -0.199 0.000 2.539 35 S HA 0.253 4.726 4.470 0.005 0.000 0.221 35 S C 1.079 175.604 174.600 -0.125 0.000 0.987 35 S CA 0.919 59.027 58.200 -0.152 0.000 0.929 35 S CB 0.361 63.458 63.200 -0.172 0.000 0.832 35 S HN 0.524 nan 8.310 nan 0.000 0.492 36 D N 2.039 122.354 120.400 -0.141 0.000 2.305 36 D HA 0.097 4.740 4.640 0.005 0.000 0.206 36 D C 0.386 176.648 176.300 -0.063 0.000 0.974 36 D CA 0.779 54.717 54.000 -0.104 0.000 0.871 36 D CB 0.251 40.984 40.800 -0.111 0.000 0.947 36 D HN 0.234 nan 8.370 nan 0.000 0.516 37 K N 1.132 121.486 120.400 -0.077 0.000 2.753 37 K HA 0.173 4.496 4.320 0.005 0.000 0.185 37 K C -2.055 174.477 176.600 -0.113 0.000 1.071 37 K CA -1.258 54.999 56.287 -0.049 0.000 0.999 37 K CB 2.499 35.031 32.500 0.054 0.000 1.244 37 K HN -0.094 nan 8.250 nan 0.000 0.594 38 P HA -0.204 nan 4.420 nan 0.000 0.216 38 P C 1.275 178.416 177.300 -0.265 0.000 1.150 38 P CA 1.361 64.363 63.100 -0.164 0.000 0.837 38 P CB 0.379 32.008 31.700 -0.119 0.000 0.786 39 G N -0.340 108.144 108.800 -0.527 0.000 2.414 39 G HA2 -0.255 3.708 3.960 0.005 0.000 0.215 39 G HA3 -0.255 3.708 3.960 0.005 0.000 0.215 39 G C 1.560 176.143 174.900 -0.528 0.000 1.188 39 G CA 0.281 44.697 45.100 -1.140 0.000 0.783 39 G HN 0.264 nan 8.290 nan 0.000 0.537 40 F N 1.021 120.697 119.950 -0.456 0.000 2.065 40 F HA -0.222 4.308 4.527 0.006 0.000 0.298 40 F C 2.893 178.649 175.800 -0.074 0.000 1.112 40 F CA 1.841 59.767 58.000 -0.123 0.000 1.212 40 F CB 0.056 38.996 39.000 -0.100 0.000 0.975 40 F HN 0.267 nan 8.300 nan 0.000 0.476 41 Q N 1.162 120.909 119.800 -0.088 0.000 2.061 41 Q HA -0.232 4.112 4.340 0.005 0.000 0.204 41 Q C 2.267 178.239 176.000 -0.046 0.000 0.984 41 Q CA 2.968 58.665 55.803 -0.178 0.000 0.846 41 Q CB -0.420 28.197 28.738 -0.202 0.000 0.902 41 Q HN 0.519 nan 8.270 nan 0.000 0.421 42 S N -0.472 115.205 115.700 -0.039 0.000 2.371 42 S HA -0.016 4.457 4.470 0.005 0.000 0.224 42 S C 2.118 176.758 174.600 0.067 0.000 1.029 42 S CA 0.819 59.015 58.200 -0.006 0.000 0.978 42 S CB -0.746 62.440 63.200 -0.023 0.000 0.833 42 S HN 0.480 nan 8.310 nan 0.000 0.466 43 A N 2.037 124.936 122.820 0.133 0.000 1.858 43 A HA -0.117 4.206 4.320 0.005 0.000 0.216 43 A C 2.130 179.804 177.584 0.151 0.000 1.190 43 A CA 1.905 54.052 52.037 0.183 0.000 0.617 43 A CB -1.443 17.724 19.000 0.279 0.000 0.827 43 A HN 0.704 nan 8.150 nan 0.000 0.443 44 H N -0.347 118.815 119.070 0.152 0.000 2.387 44 H HA -0.067 4.492 4.556 0.005 0.000 0.299 44 H C 2.185 177.529 175.328 0.026 0.000 1.099 44 H CA 1.994 58.118 56.048 0.126 0.000 1.315 44 H CB 0.104 30.002 29.762 0.226 0.000 1.380 44 H HN 0.276 nan 8.280 nan 0.000 0.513 45 R N -0.203 120.272 120.500 -0.042 0.000 2.093 45 R HA -0.013 4.331 4.340 0.005 0.000 0.224 45 R C 2.590 178.833 176.300 -0.095 0.000 1.101 45 R CA 1.102 57.132 56.100 -0.117 0.000 0.979 45 R CB -0.735 29.524 30.300 -0.069 0.000 0.877 45 R HN 0.536 nan 8.270 nan 0.000 0.441 46 S N 1.300 116.984 115.700 -0.026 0.000 2.402 46 S HA -0.104 4.369 4.470 0.005 0.000 0.229 46 S C 2.241 176.773 174.600 -0.113 0.000 1.021 46 S CA 1.176 59.387 58.200 0.019 0.000 0.974 46 S CB -0.867 62.424 63.200 0.152 0.000 0.800 46 S HN 0.182 nan 8.310 nan 0.000 0.484 47 V N 0.272 120.117 119.914 -0.115 0.000 2.490 47 V HA -0.058 4.065 4.120 0.005 0.000 0.250 47 V C 2.192 178.199 176.094 -0.145 0.000 1.061 47 V CA 1.687 63.913 62.300 -0.123 0.000 1.064 47 V CB -0.989 30.756 31.823 -0.130 0.000 0.670 47 V HN 0.405 nan 8.190 nan 0.000 0.461 48 K N 1.134 121.448 120.400 -0.144 0.000 2.155 48 K HA 0.182 4.505 4.320 0.005 0.000 0.203 48 K C 2.445 179.065 176.600 0.033 0.000 1.052 48 K CA 1.230 57.496 56.287 -0.036 0.000 0.948 48 K CB -0.398 31.968 32.500 -0.224 0.000 0.728 48 K HN 0.564 nan 8.250 nan 0.000 0.448 49 A N 1.846 124.642 122.820 -0.040 0.000 1.902 49 A HA -0.225 4.098 4.320 0.005 0.000 0.217 49 A C 2.092 179.624 177.584 -0.086 0.000 1.181 49 A CA 1.627 53.684 52.037 0.033 0.000 0.623 49 A CB -0.427 18.649 19.000 0.126 0.000 0.818 49 A HN 0.401 nan 8.150 nan 0.000 0.443 50 E N -0.389 119.582 120.200 -0.382 0.000 2.110 50 E HA -0.114 4.239 4.350 0.005 0.000 0.193 50 E C 1.825 178.049 176.600 -0.627 0.000 0.988 50 E CA 0.969 57.043 56.400 -0.544 0.000 0.804 50 E CB -0.425 28.837 29.700 -0.729 0.000 0.745 50 E HN 0.498 nan 8.360 nan 0.000 0.458 51 G N -0.747 107.486 108.800 -0.945 0.000 2.776 51 G HA2 0.037 4.000 3.960 0.005 0.000 0.209 51 G HA3 0.037 4.000 3.960 0.005 0.000 0.209 51 G C 1.058 175.590 174.900 -0.613 0.000 1.145 51 G CA 0.518 44.792 45.100 -1.377 0.000 0.791 51 G HN 0.557 nan 8.290 nan 0.000 0.530 52 G N -1.646 106.961 108.800 -0.322 0.000 2.238 52 G HA2 -0.228 3.735 3.960 0.005 0.000 0.217 52 G HA3 -0.228 3.735 3.960 0.005 0.000 0.217 52 G C 0.262 175.099 174.900 -0.105 0.000 0.996 52 G CA -0.298 44.681 45.100 -0.201 0.000 0.632 52 G HN 0.300 nan 8.290 nan 0.000 0.503 53 W N 1.161 122.415 121.300 -0.077 0.000 2.347 53 W HA 0.467 5.130 4.660 0.006 0.000 0.333 53 W C 1.547 178.105 176.519 0.065 0.000 1.383 53 W CA 0.390 57.753 57.345 0.029 0.000 1.283 53 W CB 0.586 30.044 29.460 -0.004 0.000 1.253 53 W HN 0.385 nan 8.180 nan 0.000 0.563 54 A N 3.472 126.500 122.820 0.347 0.000 1.933 54 A HA 0.277 4.600 4.320 0.005 0.000 0.218 54 A C 0.988 178.697 177.584 0.207 0.000 1.175 54 A CA 1.605 53.798 52.037 0.259 0.000 0.628 54 A CB -0.365 18.797 19.000 0.270 0.000 0.814 54 A HN 0.721 nan 8.150 nan 0.000 0.444 55 A N -0.993 121.918 122.820 0.151 0.000 2.520 55 A HA 0.614 4.937 4.320 0.005 0.000 0.298 55 A C -1.343 176.139 177.584 -0.170 0.000 1.051 55 A CA -0.486 51.537 52.037 -0.023 0.000 0.690 55 A CB 1.037 19.975 19.000 -0.103 0.000 1.281 55 A HN 0.170 nan 8.150 nan 0.000 0.402 56 L N 2.546 123.697 121.223 -0.119 0.000 2.362 56 L HA 0.541 4.884 4.340 0.005 0.000 0.275 56 L C -0.495 176.310 176.870 -0.109 0.000 0.998 56 L CA -0.513 54.236 54.840 -0.152 0.000 0.820 56 L CB 1.553 43.549 42.059 -0.105 0.000 1.270 56 L HN 0.741 nan 8.230 nan 0.000 0.415 57 N N 0.638 119.246 118.700 -0.153 0.000 2.384 57 N HA 0.507 5.250 4.740 0.005 0.000 0.301 57 N C 0.046 175.452 175.510 -0.172 0.000 1.133 57 N CA -0.284 52.706 53.050 -0.100 0.000 0.853 57 N CB 2.685 41.119 38.487 -0.088 0.000 1.241 57 N HN 0.658 nan 8.380 nan 0.000 0.502 58 T N -1.947 112.514 114.554 -0.155 0.000 2.770 58 T HA 0.182 4.536 4.350 0.005 0.000 0.281 58 T C 0.626 175.148 174.700 -0.296 0.000 0.981 58 T CA -0.574 61.400 62.100 -0.211 0.000 0.955 58 T CB 0.691 69.456 68.868 -0.172 0.000 1.060 58 T HN 0.479 nan 8.240 nan 0.000 0.531 59 E N 0.441 120.463 120.200 -0.297 0.000 2.622 59 E HA 0.131 4.484 4.350 0.005 0.000 0.255 59 E C -0.113 176.373 176.600 -0.190 0.000 1.313 59 E CA -0.964 55.269 56.400 -0.279 0.000 1.011 59 E CB 0.042 29.614 29.700 -0.214 0.000 1.173 59 E HN 0.869 nan 8.360 nan 0.000 0.601 60 Y N -1.586 118.393 120.300 -0.536 0.000 2.881 60 Y HA 0.097 4.650 4.550 0.005 0.000 0.335 60 Y C -0.067 175.669 175.900 -0.273 0.000 1.263 60 Y CA -1.182 56.624 58.100 -0.489 0.000 1.572 60 Y CB 0.201 38.228 38.460 -0.722 0.000 1.237 60 Y HN 0.294 nan 8.280 nan 0.000 0.568 61 C N 6.147 125.399 119.300 -0.081 0.000 2.291 61 C HA 0.357 4.820 4.460 0.005 0.000 0.322 61 C C 0.441 175.502 174.990 0.118 0.000 1.205 61 C CA -0.563 58.403 59.018 -0.086 0.000 1.495 61 C CB -0.364 27.302 27.740 -0.124 0.000 2.127 61 C HN 0.989 nan 8.230 nan 0.000 0.452 62 S N 4.406 120.203 115.700 0.162 0.000 2.544 62 S HA 0.092 4.565 4.470 0.005 0.000 0.290 62 S C 1.250 175.977 174.600 0.212 0.000 1.276 62 S CA -0.111 58.260 58.200 0.284 0.000 1.075 62 S CB 0.153 63.574 63.200 0.368 0.000 0.849 62 S HN 0.790 nan 8.310 nan 0.000 0.494 63 I N 2.223 122.838 120.570 0.075 0.000 3.226 63 I HA 0.319 4.492 4.170 0.005 0.000 0.277 63 I C 0.659 176.732 176.117 -0.072 0.000 1.243 63 I CA 0.128 61.439 61.300 0.017 0.000 1.459 63 I CB -0.065 37.838 38.000 -0.161 0.000 1.093 63 I HN 0.515 nan 8.210 nan 0.000 0.453 64 N N 0.546 119.126 118.700 -0.200 0.000 2.636 64 N HA 0.225 4.968 4.740 0.005 0.000 0.261 64 N C -2.565 172.412 175.510 -0.888 0.000 1.195 64 N CA -0.973 51.624 53.050 -0.756 0.000 0.902 64 N CB 2.142 39.959 38.487 -1.117 0.000 1.627 64 N HN -0.359 nan 8.380 nan 0.000 0.491 65 P HA -0.150 nan 4.420 nan 0.000 0.219 65 P C 0.591 177.556 177.300 -0.558 0.000 1.144 65 P CA 1.385 63.697 63.100 -1.313 0.000 0.806 65 P CB 0.077 31.058 31.700 -1.199 0.000 0.771 66 E N -1.464 118.459 120.200 -0.462 0.000 2.494 66 E HA 0.029 4.383 4.350 0.005 0.000 0.193 66 E C 0.365 176.719 176.600 -0.410 0.000 1.074 66 E CA 0.170 56.395 56.400 -0.293 0.000 0.867 66 E CB -0.226 29.400 29.700 -0.123 0.000 0.924 66 E HN -0.054 nan 8.360 nan 0.000 0.502 67 S N 1.002 116.412 115.700 -0.484 0.000 2.128 67 S HA 0.122 4.595 4.470 0.005 0.000 0.157 67 S C -1.457 172.988 174.600 -0.259 0.000 1.650 67 S CA -0.820 56.959 58.200 -0.702 0.000 1.269 67 S CB 0.361 62.835 63.200 -1.210 0.000 1.227 67 S HN 0.303 nan 8.310 nan 0.000 0.405 68 D N 1.277 121.660 120.400 -0.029 0.000 2.349 68 D HA 0.353 4.996 4.640 0.005 0.000 0.232 68 D C 0.500 176.942 176.300 0.237 0.000 1.071 68 D CA -0.396 53.724 54.000 0.200 0.000 0.832 68 D CB 1.539 42.445 40.800 0.177 0.000 1.086 68 D HN 0.181 nan 8.370 nan 0.000 0.504 69 D N 1.967 122.562 120.400 0.325 0.000 2.355 69 D HA 0.012 4.655 4.640 0.005 0.000 0.218 69 D C -0.088 176.289 176.300 0.128 0.000 1.004 69 D CA 0.323 54.500 54.000 0.296 0.000 0.880 69 D CB 0.123 41.103 40.800 0.300 0.000 0.911 69 D HN 0.390 nan 8.370 nan 0.000 0.528 70 T N -0.277 114.333 114.554 0.093 0.000 2.891 70 T HA -0.124 4.229 4.350 0.005 0.000 0.296 70 T C 1.277 176.054 174.700 0.128 0.000 1.025 70 T CA 0.451 62.589 62.100 0.064 0.000 1.149 70 T CB 0.311 69.219 68.868 0.067 0.000 1.007 70 T HN 0.441 nan 8.240 nan 0.000 0.528 71 H N 1.555 120.599 119.070 -0.043 0.000 2.559 71 H HA 0.182 4.741 4.556 0.005 0.000 0.273 71 H C 0.932 176.197 175.328 -0.106 0.000 1.000 71 H CA -0.048 55.958 56.048 -0.072 0.000 1.195 71 H CB 0.251 29.958 29.762 -0.091 0.000 1.368 71 H HN 0.348 nan 8.280 nan 0.000 0.592 72 R N 0.596 120.812 120.500 -0.474 0.000 2.560 72 R HA 0.304 4.647 4.340 0.005 0.000 0.270 72 R C -1.015 175.184 176.300 -0.169 0.000 1.074 72 R CA -1.014 54.785 56.100 -0.501 0.000 1.140 72 R CB 1.029 30.932 30.300 -0.661 0.000 1.073 72 R HN 0.150 nan 8.270 nan 0.000 0.527 73 L N 1.584 122.761 121.223 -0.076 0.000 2.265 73 L HA 0.292 4.635 4.340 0.005 0.000 0.289 73 L C -0.471 176.449 176.870 0.084 0.000 1.033 73 L CA 0.305 55.146 54.840 0.001 0.000 0.814 73 L CB 1.240 43.289 42.059 -0.016 0.000 1.203 73 L HN 0.764 nan 8.230 nan 0.000 0.423 74 S N 3.890 119.478 115.700 -0.186 0.000 2.689 74 S HA 0.963 5.436 4.470 0.005 0.000 0.306 74 S C -0.057 174.300 174.600 -0.404 0.000 1.104 74 S CA -0.400 57.464 58.200 -0.559 0.000 0.973 74 S CB 1.464 63.830 63.200 -1.389 0.000 1.121 74 S HN 0.910 nan 8.310 nan 0.000 0.523 75 A N 0.994 123.570 122.820 -0.407 0.000 2.296 75 A HA 0.761 5.084 4.320 0.005 0.000 0.264 75 A C 0.147 177.524 177.584 -0.345 0.000 1.097 75 A CA -0.667 51.184 52.037 -0.310 0.000 0.811 75 A CB 0.201 19.056 19.000 -0.242 0.000 1.072 75 A HN 0.859 nan 8.150 nan 0.000 0.495 76 R N -0.839 119.441 120.500 -0.366 0.000 2.604 76 R HA 0.504 4.847 4.340 0.005 0.000 0.281 76 R C -1.516 174.587 176.300 -0.329 0.000 1.020 76 R CA -0.552 55.231 56.100 -0.529 0.000 0.899 76 R CB 1.778 31.397 30.300 -1.134 0.000 1.205 76 R HN 0.522 nan 8.270 nan 0.000 0.450 77 I N 2.297 122.775 120.570 -0.154 0.000 2.998 77 I HA 0.231 4.404 4.170 0.005 0.000 0.338 77 I C -0.340 175.884 176.117 0.178 0.000 1.413 77 I CA -0.334 60.975 61.300 0.015 0.000 0.880 77 I CB 0.285 38.310 38.000 0.042 0.000 2.051 77 I HN 0.695 nan 8.210 nan 0.000 0.561 78 W N 1.170 122.452 121.300 -0.029 0.000 2.443 78 W HA 0.106 4.769 4.660 0.006 0.000 0.296 78 W C 0.843 177.350 176.519 -0.020 0.000 1.202 78 W CA 0.561 57.874 57.345 -0.053 0.000 1.312 78 W CB -0.762 28.660 29.460 -0.063 0.000 1.120 78 W HN 0.438 nan 8.180 nan 0.000 0.536 79 D N -2.782 117.769 120.400 0.251 0.000 2.958 79 D HA 0.124 4.767 4.640 0.005 0.000 0.306 79 D C 0.553 176.909 176.300 0.094 0.000 1.226 79 D CA -0.462 53.632 54.000 0.156 0.000 1.032 79 D CB 0.463 41.366 40.800 0.172 0.000 1.400 79 D HN -0.239 nan 8.370 nan 0.000 0.587 80 E N -0.448 119.783 120.200 0.052 0.000 2.150 80 E HA 0.109 4.462 4.350 0.005 0.000 0.193 80 E C 2.018 178.586 176.600 -0.053 0.000 0.985 80 E CA 1.377 57.780 56.400 0.005 0.000 0.814 80 E CB -0.480 29.216 29.700 -0.007 0.000 0.752 80 E HN 0.560 nan 8.360 nan 0.000 0.466 81 G N 1.061 109.794 108.800 -0.112 0.000 2.422 81 G HA2 -0.257 3.706 3.960 0.005 0.000 0.218 81 G HA3 -0.257 3.706 3.960 0.005 0.000 0.218 81 G C 1.109 175.909 174.900 -0.167 0.000 1.146 81 G CA 0.940 45.806 45.100 -0.389 0.000 0.769 81 G HN 0.132 nan 8.290 nan 0.000 0.547 82 D N 0.185 120.603 120.400 0.030 0.000 2.123 82 D HA -0.054 4.589 4.640 0.005 0.000 0.200 82 D C 2.775 179.087 176.300 0.019 0.000 0.976 82 D CA 0.451 54.475 54.000 0.040 0.000 0.831 82 D CB -0.329 40.478 40.800 0.012 0.000 0.974 82 D HN 0.170 nan 8.370 nan 0.000 0.469 83 V N 1.384 121.312 119.914 0.024 0.000 2.332 83 V HA -0.248 3.875 4.120 0.005 0.000 0.248 83 V C 2.613 178.699 176.094 -0.013 0.000 1.055 83 V CA 1.710 64.028 62.300 0.029 0.000 1.038 83 V CB -0.425 31.418 31.823 0.032 0.000 0.651 83 V HN 0.169 nan 8.190 nan 0.000 0.450 84 R N 0.277 120.751 120.500 -0.043 0.000 2.070 84 R HA -0.207 4.136 4.340 0.005 0.000 0.232 84 R C 2.196 178.461 176.300 -0.059 0.000 1.138 84 R CA 2.317 58.381 56.100 -0.061 0.000 0.936 84 R CB -0.419 29.827 30.300 -0.090 0.000 0.839 84 R HN 0.504 nan 8.270 nan 0.000 0.429 85 N N 0.745 119.413 118.700 -0.054 0.000 2.104 85 N HA -0.156 4.588 4.740 0.005 0.000 0.190 85 N C 1.799 177.278 175.510 -0.052 0.000 1.024 85 N CA 1.368 54.391 53.050 -0.045 0.000 0.853 85 N CB -0.269 38.208 38.487 -0.016 0.000 1.008 85 N HN 0.265 nan 8.380 nan 0.000 0.424 86 L N 0.385 121.591 121.223 -0.029 0.000 2.291 86 L HA -0.030 4.313 4.340 0.005 0.000 0.214 86 L C 2.207 178.998 176.870 -0.132 0.000 1.120 86 L CA 0.690 55.520 54.840 -0.016 0.000 0.799 86 L CB -0.198 41.944 42.059 0.139 0.000 0.925 86 L HN 0.181 nan 8.230 nan 0.000 0.446 87 K N 0.674 120.994 120.400 -0.134 0.000 2.148 87 K HA -0.145 4.179 4.320 0.005 0.000 0.204 87 K C 2.127 178.634 176.600 -0.157 0.000 1.050 87 K CA 1.056 57.233 56.287 -0.182 0.000 0.942 87 K CB -0.005 32.427 32.500 -0.114 0.000 0.724 87 K HN 0.254 nan 8.250 nan 0.000 0.446 88 A N 1.373 124.127 122.820 -0.110 0.000 1.978 88 A HA -0.202 4.122 4.320 0.005 0.000 0.220 88 A C 2.097 179.621 177.584 -0.099 0.000 1.170 88 A CA 1.595 53.581 52.037 -0.084 0.000 0.636 88 A CB -0.509 18.448 19.000 -0.071 0.000 0.810 88 A HN 0.441 nan 8.150 nan 0.000 0.448 89 M N 0.427 119.948 119.600 -0.131 0.000 2.193 89 M HA -0.101 4.382 4.480 0.005 0.000 0.265 89 M C 2.279 178.445 176.300 -0.224 0.000 1.071 89 M CA 2.429 57.649 55.300 -0.134 0.000 1.140 89 M CB -1.028 31.510 32.600 -0.103 0.000 1.369 89 M HN 0.604 nan 8.290 nan 0.000 0.423 90 T N -1.680 112.650 114.554 -0.372 0.000 2.821 90 T HA -0.118 4.235 4.350 0.005 0.000 0.267 90 T C 1.434 175.789 174.700 -0.576 0.000 1.046 90 T CA 1.519 63.259 62.100 -0.600 0.000 1.139 90 T CB -0.548 67.879 68.868 -0.734 0.000 0.871 90 T HN 0.261 nan 8.240 nan 0.000 0.454 91 D N 1.252 121.497 120.400 -0.258 0.000 2.097 91 D HA -0.057 4.586 4.640 0.005 0.000 0.195 91 D C 2.219 178.480 176.300 -0.065 0.000 0.989 91 D CA 1.295 55.244 54.000 -0.086 0.000 0.827 91 D CB -0.398 40.374 40.800 -0.047 0.000 0.966 91 D HN 0.426 nan 8.370 nan 0.000 0.456 92 E N 0.105 120.270 120.200 -0.060 0.000 2.150 92 E HA -0.073 4.281 4.350 0.005 0.000 0.193 92 E C 2.021 178.668 176.600 0.079 0.000 0.985 92 E CA 0.225 56.642 56.400 0.027 0.000 0.814 92 E CB -0.033 29.707 29.700 0.066 0.000 0.752 92 E HN 0.019 nan 8.360 nan 0.000 0.466 93 V N -0.150 119.745 119.914 -0.032 0.000 2.453 93 V HA -0.218 3.905 4.120 0.005 0.000 0.247 93 V C 1.638 177.768 176.094 0.061 0.000 1.048 93 V CA 1.988 64.292 62.300 0.007 0.000 1.049 93 V CB -0.476 31.277 31.823 -0.117 0.000 0.672 93 V HN 0.419 nan 8.190 nan 0.000 0.457 94 H N -0.218 118.860 119.070 0.013 0.000 2.423 94 H HA -0.160 4.399 4.556 0.005 0.000 0.297 94 H C 2.361 177.660 175.328 -0.048 0.000 1.075 94 H CA 1.433 57.475 56.048 -0.010 0.000 1.342 94 H CB 0.094 29.833 29.762 -0.037 0.000 1.395 94 H HN 0.305 nan 8.280 nan 0.000 0.530 95 K N 0.887 121.289 120.400 0.003 0.000 2.113 95 K HA -0.201 4.123 4.320 0.005 0.000 0.208 95 K C 0.359 176.719 176.600 -0.401 0.000 1.047 95 K CA 1.479 57.621 56.287 -0.241 0.000 0.928 95 K CB 0.012 32.270 32.500 -0.403 0.000 0.716 95 K HN 0.373 nan 8.250 nan 0.000 0.446 96 Y N -0.193 120.145 120.300 0.063 0.000 2.583 96 Y HA 0.256 4.809 4.550 0.005 0.000 0.294 96 Y C 1.089 177.024 175.900 0.058 0.000 1.170 96 Y CA 0.127 58.258 58.100 0.052 0.000 1.265 96 Y CB 0.649 39.133 38.460 0.040 0.000 1.119 96 Y HN 0.289 nan 8.280 nan 0.000 0.522 97 G N 0.114 108.993 108.800 0.131 0.000 2.168 97 G HA2 -0.197 3.767 3.960 0.005 0.000 0.257 97 G HA3 -0.197 3.767 3.960 0.005 0.000 0.257 97 G C 0.317 175.306 174.900 0.148 0.000 0.997 97 G CA 0.192 45.364 45.100 0.120 0.000 0.708 97 G HN 0.676 nan 8.290 nan 0.000 0.520 98 A N -0.850 122.078 122.820 0.179 0.000 2.269 98 A HA 0.904 5.227 4.320 0.005 0.000 0.327 98 A C 0.395 178.100 177.584 0.203 0.000 1.112 98 A CA -0.692 51.448 52.037 0.172 0.000 0.865 98 A CB 0.980 20.073 19.000 0.156 0.000 1.227 98 A HN 0.692 nan 8.150 nan 0.000 0.498 99 L N 0.176 121.503 121.223 0.173 0.000 2.399 99 L HA 0.646 4.989 4.340 0.005 0.000 0.265 99 L C 0.465 177.413 176.870 0.130 0.000 1.089 99 L CA -0.520 54.435 54.840 0.192 0.000 0.802 99 L CB 1.551 43.713 42.059 0.171 0.000 1.180 99 L HN 0.773 nan 8.230 nan 0.000 0.454 100 A N 0.833 123.745 122.820 0.153 0.000 2.355 100 A HA 0.834 5.157 4.320 0.005 0.000 0.317 100 A C -0.253 177.544 177.584 0.354 0.000 1.094 100 A CA -0.297 51.826 52.037 0.143 0.000 0.764 100 A CB 1.589 20.546 19.000 -0.071 0.000 1.230 100 A HN 0.765 nan 8.150 nan 0.000 0.448 101 G N -0.573 108.425 108.800 0.330 0.000 2.574 101 G HA2 0.637 4.600 3.960 0.005 0.000 0.299 101 G HA3 0.637 4.600 3.960 0.005 0.000 0.299 101 G C -1.576 173.290 174.900 -0.056 0.000 1.298 101 G CA -0.553 44.692 45.100 0.242 0.000 0.952 101 G HN 1.468 nan 8.290 nan 0.000 0.477 102 V N -0.160 119.568 119.914 -0.310 0.000 2.789 102 V HA 0.655 4.778 4.120 0.005 0.000 0.311 102 V C -0.882 175.131 176.094 -0.134 0.000 1.073 102 V CA -0.864 61.107 62.300 -0.549 0.000 0.921 102 V CB 1.928 33.012 31.823 -1.232 0.000 1.009 102 V HN 0.811 nan 8.190 nan 0.000 0.426 103 E N 5.914 126.010 120.200 -0.174 0.000 2.035 103 E HA 0.383 4.736 4.350 0.005 0.000 0.271 103 E C -0.855 175.767 176.600 0.036 0.000 0.953 103 E CA -0.547 55.776 56.400 -0.129 0.000 0.777 103 E CB 0.869 30.279 29.700 -0.482 0.000 1.104 103 E HN 0.696 nan 8.360 nan 0.000 0.408 104 L N 5.161 126.503 121.223 0.200 0.000 2.500 104 L HA 0.126 4.469 4.340 0.005 0.000 0.272 104 L C -0.302 176.855 176.870 0.477 0.000 1.149 104 L CA 0.071 55.082 54.840 0.284 0.000 0.897 104 L CB -0.004 42.264 42.059 0.348 0.000 1.178 104 L HN 0.550 nan 8.230 nan 0.000 0.473 105 W N 6.106 127.499 121.300 0.155 0.000 2.702 105 W HA 0.457 5.120 4.660 0.006 0.000 0.331 105 W C -1.612 174.936 176.519 0.048 0.000 1.049 105 W CA -1.011 56.452 57.345 0.195 0.000 1.230 105 W CB 1.096 30.664 29.460 0.180 0.000 1.408 105 W HN 0.263 nan 8.180 nan 0.000 0.492 106 Y N 4.899 124.753 120.300 -0.743 0.000 2.354 106 Y HA 0.480 5.033 4.550 0.004 0.000 0.330 106 Y C 0.632 175.923 175.900 -1.014 0.000 1.011 106 Y CA -0.232 57.343 58.100 -0.875 0.000 1.099 106 Y CB 2.157 40.397 38.460 -0.366 0.000 1.179 106 Y HN 0.629 nan 8.280 nan 0.000 0.442 107 G N 2.720 110.601 108.800 -1.533 0.000 2.939 107 G HA2 0.395 4.358 3.960 0.005 0.000 0.210 107 G HA3 0.395 4.358 3.960 0.005 0.000 0.210 107 G C 0.775 175.623 174.900 -0.087 0.000 1.160 107 G CA 0.399 45.163 45.100 -0.561 0.000 0.770 107 G HN 1.410 nan 8.290 nan 0.000 0.543 108 G N -0.036 108.609 108.800 -0.258 0.000 2.552 108 G HA2 0.077 4.040 3.960 0.005 0.000 0.265 108 G HA3 0.077 4.040 3.960 0.005 0.000 0.265 108 G C 1.284 176.102 174.900 -0.138 0.000 1.234 108 G CA 0.630 45.693 45.100 -0.062 0.000 0.944 108 G HN 1.175 nan 8.290 nan 0.000 0.568 109 A N -1.427 121.277 122.820 -0.193 0.000 2.172 109 A HA 0.140 4.463 4.320 0.005 0.000 0.216 109 A C 1.816 179.447 177.584 0.079 0.000 1.154 109 A CA 2.055 53.981 52.037 -0.185 0.000 0.701 109 A CB -0.576 18.115 19.000 -0.516 0.000 0.789 109 A HN 0.761 nan 8.150 nan 0.000 0.465 110 H N 0.082 119.326 119.070 0.290 0.000 2.491 110 H HA 0.163 4.722 4.556 0.006 0.000 0.290 110 H C 1.115 176.711 175.328 0.448 0.000 1.050 110 H CA 0.431 56.756 56.048 0.461 0.000 1.309 110 H CB -0.359 29.782 29.762 0.633 0.000 1.392 110 H HN 0.462 nan 8.280 nan 0.000 0.554 111 A N 2.776 125.827 122.820 0.385 0.000 2.269 111 A HA 0.259 4.582 4.320 0.005 0.000 0.302 111 A C -1.310 176.364 177.584 0.151 0.000 1.266 111 A CA -1.285 50.934 52.037 0.302 0.000 0.894 111 A CB 0.797 19.844 19.000 0.079 0.000 1.147 111 A HN 0.050 nan 8.150 nan 0.000 0.537 112 P HA -0.078 nan 4.420 nan 0.000 0.233 112 P C -0.258 177.072 177.300 0.051 0.000 1.167 112 P CA 0.241 63.391 63.100 0.084 0.000 0.770 112 P CB -0.108 31.640 31.700 0.081 0.000 0.837 113 N N -0.807 117.927 118.700 0.057 0.000 2.716 113 N HA -0.178 4.565 4.740 0.005 0.000 0.250 113 N C 0.802 176.330 175.510 0.029 0.000 1.033 113 N CA 0.690 53.756 53.050 0.027 0.000 0.727 113 N CB -1.996 36.476 38.487 -0.025 0.000 0.950 113 N HN 0.347 nan 8.380 nan 0.000 0.541 114 M N -0.804 118.825 119.600 0.048 0.000 2.394 114 M HA -0.099 4.384 4.480 0.005 0.000 0.264 114 M C 1.947 178.267 176.300 0.033 0.000 1.073 114 M CA 1.268 56.588 55.300 0.033 0.000 1.111 114 M CB 0.019 32.642 32.600 0.037 0.000 1.401 114 M HN 0.320 nan 8.290 nan 0.000 0.448 115 E N 0.286 120.516 120.200 0.051 0.000 2.079 115 E HA -0.116 4.238 4.350 0.005 0.000 0.191 115 E C 2.048 178.674 176.600 0.043 0.000 0.961 115 E CA 1.280 57.713 56.400 0.055 0.000 0.823 115 E CB 0.179 29.931 29.700 0.087 0.000 0.789 115 E HN 0.415 nan 8.360 nan 0.000 0.459 116 S N 0.274 115.997 115.700 0.039 0.000 2.383 116 S HA -0.116 4.357 4.470 0.005 0.000 0.227 116 S C 1.075 175.652 174.600 -0.038 0.000 1.026 116 S CA 0.992 59.179 58.200 -0.021 0.000 0.981 116 S CB -0.260 62.882 63.200 -0.097 0.000 0.818 116 S HN 0.381 nan 8.310 nan 0.000 0.472 117 R N 0.124 120.608 120.500 -0.026 0.000 3.963 117 R HA -0.134 4.209 4.340 0.005 0.000 0.394 117 R C 0.408 176.681 176.300 -0.044 0.000 1.131 117 R CA 0.439 56.522 56.100 -0.028 0.000 1.059 117 R CB -2.803 27.484 30.300 -0.022 0.000 1.614 117 R HN 0.648 nan 8.270 nan 0.000 0.546 118 A N 0.793 123.573 122.820 -0.067 0.000 2.296 118 A HA 0.484 4.807 4.320 0.005 0.000 0.264 118 A C 0.506 178.052 177.584 -0.063 0.000 1.097 118 A CA 0.199 52.190 52.037 -0.078 0.000 0.811 118 A CB 0.462 19.387 19.000 -0.124 0.000 1.072 118 A HN 0.135 nan 8.150 nan 0.000 0.495 119 T N 3.354 117.878 114.554 -0.050 0.000 2.743 119 T HA 0.517 4.870 4.350 0.005 0.000 0.292 119 T C -2.453 172.226 174.700 -0.034 0.000 0.972 119 T CA -0.761 61.315 62.100 -0.040 0.000 0.967 119 T CB 0.959 69.808 68.868 -0.031 0.000 0.926 119 T HN 0.571 nan 8.240 nan 0.000 0.459 120 P HA 0.344 nan 4.420 nan 0.000 0.274 120 P C -0.544 176.758 177.300 0.003 0.000 1.231 120 P CA -0.655 62.413 63.100 -0.054 0.000 0.790 120 P CB 1.190 32.809 31.700 -0.136 0.000 0.951 121 R N 0.401 120.977 120.500 0.126 0.000 2.711 121 R HA 0.786 5.129 4.340 0.005 0.000 0.284 121 R C 0.207 176.537 176.300 0.050 0.000 0.968 121 R CA -0.657 55.480 56.100 0.062 0.000 0.924 121 R CB 2.223 32.558 30.300 0.058 0.000 1.162 121 R HN 0.694 nan 8.270 nan 0.000 0.465 122 G N 0.744 109.507 108.800 -0.061 0.000 2.727 122 G HA2 0.346 4.309 3.960 0.005 0.000 0.289 122 G HA3 0.346 4.309 3.960 0.005 0.000 0.289 122 G C -2.343 172.393 174.900 -0.273 0.000 1.418 122 G CA -1.013 44.015 45.100 -0.120 0.000 0.818 122 G HN 0.289 nan 8.290 nan 0.000 0.486 123 P HA 0.002 nan 4.420 nan 0.000 0.216 123 P C 0.597 177.712 177.300 -0.308 0.000 1.150 123 P CA 0.997 63.584 63.100 -0.853 0.000 0.837 123 P CB 0.372 31.278 31.700 -1.324 0.000 0.786 124 S N -1.753 113.864 115.700 -0.139 0.000 2.618 124 S HA 0.299 4.773 4.470 0.005 0.000 0.277 124 S C -0.890 173.746 174.600 0.060 0.000 1.138 124 S CA -0.673 57.514 58.200 -0.021 0.000 0.844 124 S CB 2.054 65.255 63.200 0.002 0.000 1.127 124 S HN -0.008 nan 8.310 nan 0.000 0.474 125 Q N 1.145 120.965 119.800 0.033 0.000 2.288 125 Q HA 0.500 4.843 4.340 0.005 0.000 0.258 125 Q C -1.565 174.492 176.000 0.095 0.000 0.957 125 Q CA -0.165 55.641 55.803 0.004 0.000 0.919 125 Q CB 0.301 29.046 28.738 0.012 0.000 1.185 125 Q HN 0.707 nan 8.270 nan 0.000 0.408 126 Y N 0.491 120.792 120.300 0.002 0.000 2.638 126 Y HA 0.752 5.303 4.550 0.000 0.000 0.335 126 Y C -1.771 174.030 175.900 -0.166 0.000 1.155 126 Y CA -1.343 56.723 58.100 -0.056 0.000 1.046 126 Y CB 0.737 39.146 38.460 -0.086 0.000 1.303 126 Y HN 0.557 nan 8.280 nan 0.000 0.460 127 A N 1.841 124.518 122.820 -0.238 0.000 2.276 127 A HA 0.567 4.891 4.320 0.005 0.000 0.316 127 A C 0.047 177.613 177.584 -0.030 0.000 1.229 127 A CA -0.410 51.232 52.037 -0.658 0.000 0.851 127 A CB 0.576 18.921 19.000 -1.092 0.000 1.165 127 A HN 0.898 nan 8.150 nan 0.000 0.513 128 S N 1.132 116.875 115.700 0.073 0.000 2.558 128 S HA 0.015 4.488 4.470 0.005 0.000 0.293 128 S C 1.381 176.152 174.600 0.284 0.000 1.292 128 S CA 0.381 58.829 58.200 0.413 0.000 1.063 128 S CB 0.370 63.864 63.200 0.489 0.000 0.831 128 S HN 0.755 nan 8.310 nan 0.000 0.499 129 E N 4.934 125.348 120.200 0.357 0.000 2.427 129 E HA -0.095 4.258 4.350 0.005 0.000 0.196 129 E C 1.270 178.042 176.600 0.285 0.000 1.028 129 E CA 0.638 57.181 56.400 0.238 0.000 0.864 129 E CB -0.274 29.559 29.700 0.222 0.000 0.813 129 E HN 0.815 nan 8.360 nan 0.000 0.514 130 F N 1.497 121.537 119.950 0.151 0.000 2.315 130 F HA 0.143 4.672 4.527 0.004 0.000 0.284 130 F C 0.878 176.739 175.800 0.101 0.000 1.049 130 F CA 0.118 58.175 58.000 0.095 0.000 1.323 130 F CB 0.652 39.667 39.000 0.026 0.000 1.113 130 F HN -0.224 nan 8.300 nan 0.000 0.544 131 E N 1.607 121.854 120.200 0.078 0.000 2.261 131 E HA 0.088 4.441 4.350 0.005 0.000 0.239 131 E C 0.957 177.551 176.600 -0.010 0.000 0.991 131 E CA 0.263 56.624 56.400 -0.065 0.000 0.847 131 E CB 0.770 30.485 29.700 0.023 0.000 1.223 131 E HN 0.416 nan 8.360 nan 0.000 0.446 132 T N -0.953 113.577 114.554 -0.040 0.000 2.996 132 T HA -0.102 4.251 4.350 0.005 0.000 0.271 132 T C 1.401 176.059 174.700 -0.069 0.000 1.126 132 T CA 0.797 62.867 62.100 -0.049 0.000 1.103 132 T CB 0.008 68.856 68.868 -0.033 0.000 0.870 132 T HN 0.292 nan 8.240 nan 0.000 0.528 133 L N 0.526 121.729 121.223 -0.033 0.000 2.728 133 L HA 0.356 4.699 4.340 0.005 0.000 0.238 133 L C 0.981 177.907 176.870 0.093 0.000 1.143 133 L CA -0.320 54.549 54.840 0.048 0.000 0.937 133 L CB 0.460 42.539 42.059 0.034 0.000 1.225 133 L HN 0.183 nan 8.230 nan 0.000 0.507 134 S N -0.181 115.517 115.700 -0.004 0.000 2.422 134 S HA 0.471 4.944 4.470 0.005 0.000 0.308 134 S C -0.833 173.716 174.600 -0.085 0.000 1.097 134 S CA -0.281 57.932 58.200 0.021 0.000 1.099 134 S CB 0.294 63.508 63.200 0.022 0.000 0.976 134 S HN 0.103 nan 8.310 nan 0.000 0.471 135 Y N 2.331 122.565 120.300 -0.110 0.000 2.528 135 Y HA 0.610 5.160 4.550 0.001 0.000 0.335 135 Y C 0.728 176.485 175.900 -0.239 0.000 1.093 135 Y CA -0.908 57.080 58.100 -0.188 0.000 1.134 135 Y CB 1.516 39.897 38.460 -0.131 0.000 1.253 135 Y HN 0.877 nan 8.280 nan 0.000 0.478 136 C N 0.347 119.537 119.300 -0.183 0.000 2.719 136 C HA 0.715 5.179 4.460 0.005 0.000 0.327 136 C C -0.702 174.215 174.990 -0.121 0.000 1.238 136 C CA -1.421 57.478 59.018 -0.197 0.000 1.727 136 C CB 1.403 28.934 27.740 -0.348 0.000 2.256 136 C HN 0.920 nan 8.230 nan 0.000 0.489 137 K N 1.203 121.552 120.400 -0.084 0.000 2.172 137 K HA 0.287 4.610 4.320 0.005 0.000 0.276 137 K C -0.011 176.551 176.600 -0.063 0.000 1.013 137 K CA 0.120 56.372 56.287 -0.059 0.000 0.913 137 K CB 0.846 33.322 32.500 -0.040 0.000 1.055 137 K HN 0.940 nan 8.250 nan 0.000 0.461 138 E N 4.624 124.793 120.200 -0.051 0.000 2.376 138 E HA 0.004 4.357 4.350 0.005 0.000 0.266 138 E C -0.613 175.961 176.600 -0.044 0.000 1.009 138 E CA -0.149 56.220 56.400 -0.051 0.000 0.902 138 E CB 0.620 30.300 29.700 -0.033 0.000 0.972 138 E HN 0.491 nan 8.360 nan 0.000 0.439 139 M N 4.399 123.968 119.600 -0.052 0.000 2.200 139 M HA 0.094 4.577 4.480 0.005 0.000 0.355 139 M C -0.204 176.085 176.300 -0.018 0.000 1.283 139 M CA -0.367 54.912 55.300 -0.035 0.000 1.124 139 M CB 0.650 33.235 32.600 -0.024 0.000 1.625 139 M HN 0.529 nan 8.290 nan 0.000 0.463 140 D N 2.265 122.654 120.400 -0.018 0.000 2.478 140 D HA 0.259 4.903 4.640 0.005 0.000 0.263 140 D C 0.771 177.065 176.300 -0.010 0.000 1.153 140 D CA -0.647 53.352 54.000 -0.001 0.000 1.038 140 D CB 0.600 41.399 40.800 -0.001 0.000 1.120 140 D HN 0.531 nan 8.370 nan 0.000 0.564 141 L N -0.345 120.888 121.223 0.017 0.000 2.127 141 L HA -0.184 4.159 4.340 0.005 0.000 0.211 141 L C 2.348 179.210 176.870 -0.014 0.000 1.089 141 L CA 1.768 56.622 54.840 0.022 0.000 0.757 141 L CB -0.736 41.367 42.059 0.072 0.000 0.899 141 L HN 0.527 nan 8.230 nan 0.000 0.434 142 S N -1.507 114.179 115.700 -0.022 0.000 2.406 142 S HA -0.142 4.331 4.470 0.005 0.000 0.228 142 S C 1.545 176.098 174.600 -0.079 0.000 1.020 142 S CA 0.802 58.976 58.200 -0.044 0.000 0.965 142 S CB -0.276 62.903 63.200 -0.036 0.000 0.798 142 S HN 0.344 nan 8.310 nan 0.000 0.488 143 D N 2.013 122.369 120.400 -0.074 0.000 2.117 143 D HA -0.003 4.640 4.640 0.005 0.000 0.197 143 D C 1.916 178.139 176.300 -0.128 0.000 0.987 143 D CA 1.128 55.069 54.000 -0.099 0.000 0.829 143 D CB -0.339 40.420 40.800 -0.068 0.000 0.961 143 D HN 0.443 nan 8.370 nan 0.000 0.460 144 I N 1.132 121.643 120.570 -0.099 0.000 2.179 144 I HA -0.260 3.913 4.170 0.005 0.000 0.242 144 I C 2.517 178.582 176.117 -0.088 0.000 1.088 144 I CA 1.030 62.283 61.300 -0.078 0.000 1.357 144 I CB -0.234 37.643 38.000 -0.205 0.000 1.051 144 I HN -0.077 nan 8.210 nan 0.000 0.409 145 A N 0.001 122.757 122.820 -0.105 0.000 1.902 145 A HA -0.290 4.034 4.320 0.005 0.000 0.217 145 A C 2.311 179.784 177.584 -0.184 0.000 1.181 145 A CA 1.857 53.824 52.037 -0.115 0.000 0.623 145 A CB -0.722 18.230 19.000 -0.079 0.000 0.818 145 A HN 0.500 nan 8.150 nan 0.000 0.443 146 Q N -0.394 119.257 119.800 -0.249 0.000 2.050 146 Q HA -0.129 4.214 4.340 0.005 0.000 0.202 146 Q C 1.986 177.507 176.000 -0.798 0.000 0.980 146 Q CA 1.982 57.517 55.803 -0.447 0.000 0.840 146 Q CB -0.186 28.307 28.738 -0.409 0.000 0.898 146 Q HN 0.412 nan 8.270 nan 0.000 0.424 147 V N 0.985 120.528 119.914 -0.618 0.000 2.427 147 V HA -0.264 3.859 4.120 0.005 0.000 0.248 147 V C 2.185 178.199 176.094 -0.133 0.000 1.051 147 V CA 1.872 63.845 62.300 -0.545 0.000 1.048 147 V CB -0.522 31.084 31.823 -0.361 0.000 0.666 147 V HN 0.426 nan 8.190 nan 0.000 0.456 148 Q N -0.655 119.091 119.800 -0.089 0.000 2.170 148 Q HA -0.282 4.062 4.340 0.005 0.000 0.203 148 Q C 2.342 178.355 176.000 0.022 0.000 0.976 148 Q CA 1.650 57.423 55.803 -0.048 0.000 0.858 148 Q CB -0.154 28.444 28.738 -0.233 0.000 0.907 148 Q HN 0.543 nan 8.270 nan 0.000 0.433 149 Q N 0.381 120.131 119.800 -0.084 0.000 2.119 149 Q HA -0.095 4.248 4.340 0.005 0.000 0.201 149 Q C 1.484 177.565 176.000 0.134 0.000 0.972 149 Q CA 1.477 57.270 55.803 -0.017 0.000 0.847 149 Q CB -0.260 28.425 28.738 -0.088 0.000 0.903 149 Q HN 0.434 nan 8.270 nan 0.000 0.433 150 F N -1.290 118.666 119.950 0.010 0.000 2.126 150 F HA -0.298 4.232 4.527 0.005 0.000 0.299 150 F C 1.688 177.476 175.800 -0.019 0.000 1.096 150 F CA 0.725 58.702 58.000 -0.038 0.000 1.255 150 F CB -0.276 38.653 39.000 -0.119 0.000 0.997 150 F HN 0.160 nan 8.300 nan 0.000 0.479 151 Y N -0.107 120.309 120.300 0.194 0.000 2.181 151 Y HA -0.226 4.326 4.550 0.004 0.000 0.288 151 Y C 2.388 178.344 175.900 0.094 0.000 1.146 151 Y CA 1.205 59.377 58.100 0.120 0.000 1.164 151 Y CB -0.938 37.553 38.460 0.050 0.000 0.982 151 Y HN -0.200 nan 8.280 nan 0.000 0.515 152 V N 0.022 120.079 119.914 0.238 0.000 2.295 152 V HA -0.281 3.842 4.120 0.005 0.000 0.246 152 V C 1.821 177.998 176.094 0.139 0.000 1.049 152 V CA 2.118 64.511 62.300 0.155 0.000 1.024 152 V CB -0.562 31.327 31.823 0.110 0.000 0.648 152 V HN 0.359 nan 8.190 nan 0.000 0.447 153 D N 0.474 120.961 120.400 0.145 0.000 2.117 153 D HA -0.124 4.519 4.640 0.005 0.000 0.197 153 D C 2.207 178.577 176.300 0.117 0.000 0.987 153 D CA 1.662 55.737 54.000 0.124 0.000 0.829 153 D CB -0.352 40.530 40.800 0.138 0.000 0.961 153 D HN 0.445 nan 8.370 nan 0.000 0.460 154 A N 1.069 123.964 122.820 0.125 0.000 1.898 154 A HA -0.014 4.309 4.320 0.005 0.000 0.216 154 A C 2.330 179.984 177.584 0.116 0.000 1.181 154 A CA 2.116 54.219 52.037 0.110 0.000 0.620 154 A CB -0.739 18.315 19.000 0.089 0.000 0.819 154 A HN 0.227 nan 8.150 nan 0.000 0.442 155 A N -0.098 122.802 122.820 0.134 0.000 1.940 155 A HA -0.194 4.129 4.320 0.005 0.000 0.219 155 A C 2.103 179.753 177.584 0.110 0.000 1.176 155 A CA 1.951 54.062 52.037 0.123 0.000 0.631 155 A CB -0.427 18.649 19.000 0.127 0.000 0.814 155 A HN 0.565 nan 8.150 nan 0.000 0.446 156 K N -0.747 119.714 120.400 0.101 0.000 2.057 156 K HA -0.069 4.254 4.320 0.005 0.000 0.206 156 K C 2.274 178.931 176.600 0.095 0.000 1.050 156 K CA 1.315 57.654 56.287 0.086 0.000 0.935 156 K CB -0.161 32.383 32.500 0.073 0.000 0.715 156 K HN 0.385 nan 8.250 nan 0.000 0.439 157 R N 0.344 120.906 120.500 0.103 0.000 2.115 157 R HA -0.028 4.315 4.340 0.005 0.000 0.230 157 R C 2.377 178.770 176.300 0.155 0.000 1.111 157 R CA 1.216 57.382 56.100 0.110 0.000 0.976 157 R CB -0.122 30.242 30.300 0.107 0.000 0.870 157 R HN 0.071 nan 8.270 nan 0.000 0.445 158 S N 0.603 116.413 115.700 0.184 0.000 2.368 158 S HA -0.156 4.317 4.470 0.005 0.000 0.225 158 S C 1.833 176.630 174.600 0.329 0.000 1.030 158 S CA 1.116 59.508 58.200 0.320 0.000 0.999 158 S CB -0.173 63.134 63.200 0.179 0.000 0.844 158 S HN 0.333 nan 8.310 nan 0.000 0.459 159 R N 1.129 121.745 120.500 0.193 0.000 2.096 159 R HA -0.121 4.222 4.340 0.005 0.000 0.235 159 R C 1.285 177.646 176.300 0.102 0.000 1.127 159 R CA 1.687 57.872 56.100 0.142 0.000 0.968 159 R CB -0.260 30.096 30.300 0.093 0.000 0.861 159 R HN 0.241 nan 8.270 nan 0.000 0.440 160 D N 0.254 120.709 120.400 0.091 0.000 2.178 160 D HA -0.112 4.531 4.640 0.005 0.000 0.201 160 D C 1.480 177.801 176.300 0.034 0.000 0.980 160 D CA 1.410 55.443 54.000 0.054 0.000 0.842 160 D CB -0.119 40.712 40.800 0.052 0.000 0.948 160 D HN 0.387 nan 8.370 nan 0.000 0.472 161 A N -0.405 122.450 122.820 0.057 0.000 2.206 161 A HA 0.363 4.686 4.320 0.005 0.000 0.211 161 A C 1.791 179.253 177.584 -0.205 0.000 1.158 161 A CA 1.269 53.282 52.037 -0.041 0.000 0.761 161 A CB -0.158 18.876 19.000 0.056 0.000 0.801 161 A HN 0.278 nan 8.150 nan 0.000 0.473 162 G N -2.336 106.407 108.800 -0.095 0.000 2.144 162 G HA2 -0.198 3.765 3.960 0.005 0.000 0.218 162 G HA3 -0.198 3.765 3.960 0.005 0.000 0.218 162 G C -0.085 174.770 174.900 -0.074 0.000 0.988 162 G CA -0.126 44.936 45.100 -0.064 0.000 0.659 162 G HN 0.262 nan 8.290 nan 0.000 0.522 163 F N 1.579 121.584 119.950 0.090 0.000 2.471 163 F HA 0.369 4.899 4.527 0.006 0.000 0.353 163 F C 1.438 177.301 175.800 0.105 0.000 1.113 163 F CA 0.035 58.086 58.000 0.086 0.000 1.262 163 F CB 0.764 39.800 39.000 0.061 0.000 1.146 163 F HN 0.033 nan 8.300 nan 0.000 0.578 164 D N 2.430 123.020 120.400 0.316 0.000 2.355 164 D HA 0.151 4.794 4.640 0.005 0.000 0.206 164 D C 0.314 176.715 176.300 0.169 0.000 1.010 164 D CA 0.987 55.112 54.000 0.208 0.000 0.875 164 D CB 0.855 41.773 40.800 0.197 0.000 0.966 164 D HN 0.255 nan 8.370 nan 0.000 0.512 165 I N 1.421 122.110 120.570 0.198 0.000 2.498 165 I HA 0.232 4.405 4.170 0.005 0.000 0.290 165 I C -0.839 175.332 176.117 0.090 0.000 1.032 165 I CA -0.827 60.538 61.300 0.108 0.000 1.073 165 I CB 2.963 41.029 38.000 0.109 0.000 1.251 165 I HN -0.386 nan 8.210 nan 0.000 0.426 166 V N 6.293 126.226 119.914 0.032 0.000 2.444 166 V HA 0.400 4.523 4.120 0.005 0.000 0.294 166 V C -0.903 175.231 176.094 0.067 0.000 1.022 166 V CA -0.666 61.671 62.300 0.063 0.000 0.850 166 V CB 1.574 33.442 31.823 0.074 0.000 0.992 166 V HN 0.437 nan 8.190 nan 0.000 0.426 167 Y N 2.655 122.995 120.300 0.067 0.000 2.387 167 Y HA 0.585 5.138 4.550 0.005 0.000 0.330 167 Y C 0.234 176.248 175.900 0.190 0.000 1.133 167 Y CA -0.592 57.583 58.100 0.125 0.000 1.152 167 Y CB 2.088 40.621 38.460 0.121 0.000 1.215 167 Y HN 0.349 nan 8.280 nan 0.000 0.466 168 V N 4.220 124.386 119.914 0.420 0.000 2.293 168 V HA 0.093 4.216 4.120 0.005 0.000 0.275 168 V C -0.787 175.585 176.094 0.464 0.000 1.021 168 V CA -0.913 61.592 62.300 0.343 0.000 0.815 168 V CB 0.248 32.186 31.823 0.191 0.000 1.025 168 V HN 0.690 nan 8.190 nan 0.000 0.448 169 Y N 3.904 124.392 120.300 0.314 0.000 2.637 169 Y HA 0.419 4.973 4.550 0.007 0.000 0.350 169 Y C 1.094 177.107 175.900 0.189 0.000 1.069 169 Y CA -0.350 57.930 58.100 0.300 0.000 1.397 169 Y CB 0.698 39.358 38.460 0.334 0.000 1.163 169 Y HN 0.661 nan 8.280 nan 0.000 0.527 170 G N 4.764 113.724 108.800 0.267 0.000 4.547 170 G HA2 0.533 4.496 3.960 0.005 0.000 0.301 170 G HA3 0.533 4.496 3.960 0.005 0.000 0.301 170 G C -0.450 174.577 174.900 0.211 0.000 1.240 170 G CA 0.121 45.145 45.100 -0.126 0.000 0.970 170 G HN 0.769 nan 8.290 nan 0.000 0.574 171 A N -0.633 122.224 122.820 0.061 0.000 2.387 171 A HA 0.727 5.051 4.320 0.005 0.000 0.298 171 A C 0.438 177.854 177.584 -0.280 0.000 1.165 171 A CA -0.699 51.324 52.037 -0.024 0.000 0.814 171 A CB 0.438 19.479 19.000 0.068 0.000 1.357 171 A HN 0.729 nan 8.150 nan 0.000 0.443 172 H N -0.206 118.766 119.070 -0.163 0.000 2.791 172 H HA -0.149 4.410 4.556 0.005 0.000 0.302 172 H C 0.655 175.606 175.328 -0.627 0.000 1.198 172 H CA 0.780 56.578 56.048 -0.417 0.000 1.145 172 H CB -2.098 27.321 29.762 -0.571 0.000 1.385 172 H HN 1.000 nan 8.280 nan 0.000 0.409 173 S N -2.632 112.927 115.700 -0.235 0.000 3.581 173 S HA -0.259 4.214 4.470 0.005 0.000 0.354 173 S C 0.234 174.759 174.600 -0.125 0.000 1.059 173 S CA 1.061 59.205 58.200 -0.093 0.000 1.060 173 S CB -1.146 62.123 63.200 0.114 0.000 0.908 173 S HN 0.525 nan 8.310 nan 0.000 0.475 174 Y N -0.262 120.028 120.300 -0.017 0.000 2.340 174 Y HA 0.488 5.041 4.550 0.005 0.000 0.327 174 Y C 1.545 177.389 175.900 -0.093 0.000 1.321 174 Y CA -1.143 56.958 58.100 0.002 0.000 1.433 174 Y CB -0.199 38.249 38.460 -0.019 0.000 1.373 174 Y HN 0.101 nan 8.280 nan 0.000 0.538 175 L N 2.179 123.509 121.223 0.179 0.000 2.026 175 L HA -0.263 4.080 4.340 0.005 0.000 0.231 175 L C -0.990 175.888 176.870 0.014 0.000 1.095 175 L CA 2.539 57.435 54.840 0.093 0.000 0.810 175 L CB -1.679 40.518 42.059 0.230 0.000 0.909 175 L HN 0.559 nan 8.230 nan 0.000 0.444 176 P HA -0.192 nan 4.420 nan 0.000 0.217 176 P C 1.932 179.119 177.300 -0.189 0.000 1.148 176 P CA 1.176 64.087 63.100 -0.315 0.000 0.828 176 P CB -0.116 30.841 31.700 -1.238 0.000 0.783 177 L N -0.476 120.642 121.223 -0.176 0.000 2.240 177 L HA -0.076 4.268 4.340 0.005 0.000 0.211 177 L C 1.922 178.846 176.870 0.089 0.000 1.106 177 L CA 1.818 56.705 54.840 0.079 0.000 0.793 177 L CB -1.043 41.080 42.059 0.106 0.000 0.927 177 L HN 0.060 nan 8.230 nan 0.000 0.446 178 Q N -1.214 118.540 119.800 -0.077 0.000 2.119 178 Q HA -0.202 4.142 4.340 0.005 0.000 0.201 178 Q C 2.059 178.013 176.000 -0.076 0.000 0.972 178 Q CA 1.591 57.240 55.803 -0.258 0.000 0.847 178 Q CB -0.106 28.296 28.738 -0.560 0.000 0.903 178 Q HN 0.379 nan 8.270 nan 0.000 0.433 179 F N 0.047 119.952 119.950 -0.074 0.000 2.186 179 F HA -0.163 4.369 4.527 0.009 0.000 0.299 179 F C 1.985 177.851 175.800 0.110 0.000 1.090 179 F CA 0.673 58.674 58.000 0.002 0.000 1.307 179 F CB -0.025 38.965 39.000 -0.015 0.000 1.019 179 F HN 0.089 nan 8.300 nan 0.000 0.489 180 L N -0.214 121.198 121.223 0.315 0.000 2.156 180 L HA -0.028 4.315 4.340 0.005 0.000 0.208 180 L C 0.721 177.718 176.870 0.211 0.000 1.095 180 L CA 1.113 56.100 54.840 0.244 0.000 0.770 180 L CB -0.549 41.633 42.059 0.206 0.000 0.914 180 L HN -0.075 nan 8.230 nan 0.000 0.439 181 N N 0.016 118.853 118.700 0.228 0.000 2.419 181 N HA 0.166 4.909 4.740 0.005 0.000 0.264 181 N C -1.921 173.705 175.510 0.193 0.000 1.031 181 N CA -2.298 50.891 53.050 0.231 0.000 0.951 181 N CB 1.342 40.027 38.487 0.330 0.000 1.101 181 N HN -0.002 nan 8.380 nan 0.000 0.488 182 P HA -0.145 nan 4.420 nan 0.000 0.225 182 P C 1.095 178.427 177.300 0.052 0.000 1.148 182 P CA 0.886 64.037 63.100 0.086 0.000 0.779 182 P CB -0.005 31.740 31.700 0.074 0.000 0.780 183 Y N -0.401 119.825 120.300 -0.124 0.000 2.274 183 Y HA -0.246 4.309 4.550 0.009 0.000 0.290 183 Y C 1.676 177.312 175.900 -0.440 0.000 1.145 183 Y CA 1.648 59.556 58.100 -0.320 0.000 1.203 183 Y CB -0.304 37.872 38.460 -0.474 0.000 0.984 183 Y HN -0.140 nan 8.280 nan 0.000 0.533 184 Y N -1.502 118.670 120.300 -0.214 0.000 2.539 184 Y HA 0.117 4.669 4.550 0.004 0.000 0.284 184 Y C 0.811 176.548 175.900 -0.271 0.000 1.134 184 Y CA 0.040 57.884 58.100 -0.427 0.000 1.251 184 Y CB -0.380 37.792 38.460 -0.481 0.000 1.260 184 Y HN -0.142 nan 8.280 nan 0.000 0.528 185 N N 2.024 120.723 118.700 -0.001 0.000 2.402 185 N HA 0.004 4.748 4.740 0.005 0.000 0.259 185 N C -0.144 175.355 175.510 -0.018 0.000 1.167 185 N CA 0.254 53.272 53.050 -0.053 0.000 0.949 185 N CB 0.393 38.866 38.487 -0.024 0.000 1.212 185 N HN 0.126 nan 8.380 nan 0.000 0.493 186 K N 2.755 123.139 120.400 -0.027 0.000 2.399 186 K HA 0.176 4.499 4.320 0.005 0.000 0.204 186 K C 0.319 176.928 176.600 0.014 0.000 1.023 186 K CA -0.207 56.077 56.287 -0.005 0.000 1.127 186 K CB 0.530 33.023 32.500 -0.013 0.000 0.856 186 K HN 0.427 nan 8.250 nan 0.000 0.514 187 R N 0.869 121.382 120.500 0.022 0.000 2.784 187 R HA 0.046 4.390 4.340 0.005 0.000 0.266 187 R C 1.011 177.353 176.300 0.070 0.000 1.044 187 R CA 0.726 56.858 56.100 0.054 0.000 1.151 187 R CB 0.153 30.511 30.300 0.097 0.000 1.037 187 R HN 0.105 nan 8.270 nan 0.000 0.478 188 T N -3.623 110.974 114.554 0.072 0.000 3.091 188 T HA 0.039 4.392 4.350 0.005 0.000 0.277 188 T C 0.131 174.876 174.700 0.074 0.000 0.996 188 T CA -0.526 61.613 62.100 0.064 0.000 0.897 188 T CB -0.113 68.783 68.868 0.046 0.000 1.109 188 T HN 0.647 nan 8.240 nan 0.000 0.534 189 D N 2.226 122.689 120.400 0.106 0.000 2.496 189 D HA 0.145 4.788 4.640 0.005 0.000 0.283 189 D C 1.327 177.689 176.300 0.102 0.000 1.214 189 D CA -0.786 53.280 54.000 0.111 0.000 1.089 189 D CB 0.568 41.459 40.800 0.152 0.000 1.141 189 D HN 0.284 nan 8.370 nan 0.000 0.580 190 K N -1.405 119.033 120.400 0.063 0.000 2.555 190 K HA -0.087 4.236 4.320 0.005 0.000 0.193 190 K C 0.471 176.981 176.600 -0.150 0.000 1.032 190 K CA 0.830 57.076 56.287 -0.068 0.000 1.004 190 K CB -0.452 31.947 32.500 -0.170 0.000 0.804 190 K HN 0.306 nan 8.250 nan 0.000 0.496 191 Y N 0.847 121.232 120.300 0.142 0.000 2.555 191 Y HA 0.349 4.900 4.550 0.003 0.000 0.259 191 Y C 0.827 176.864 175.900 0.229 0.000 1.179 191 Y CA -0.387 57.846 58.100 0.221 0.000 1.230 191 Y CB 1.357 40.012 38.460 0.325 0.000 1.146 191 Y HN 0.222 nan 8.280 nan 0.000 0.526 192 G N -2.086 106.862 108.800 0.246 0.000 2.708 192 G HA2 0.523 4.486 3.960 0.005 0.000 0.289 192 G HA3 0.523 4.486 3.960 0.005 0.000 0.289 192 G C 0.202 175.174 174.900 0.120 0.000 1.416 192 G CA -0.180 45.029 45.100 0.181 0.000 0.829 192 G HN 0.350 nan 8.290 nan 0.000 0.480 193 G N -0.055 108.805 108.800 0.100 0.000 3.226 193 G HA2 0.001 3.964 3.960 0.005 0.000 0.270 193 G HA3 0.001 3.964 3.960 0.005 0.000 0.270 193 G C 1.102 176.049 174.900 0.078 0.000 1.592 193 G CA 0.861 46.007 45.100 0.076 0.000 1.055 193 G HN 2.356 nan 8.290 nan 0.000 0.582 194 S N 1.075 116.817 115.700 0.070 0.000 2.589 194 S HA 0.464 4.937 4.470 0.005 0.000 0.265 194 S C 1.528 176.181 174.600 0.088 0.000 1.342 194 S CA 0.510 58.751 58.200 0.068 0.000 1.005 194 S CB 1.548 64.779 63.200 0.051 0.000 0.909 194 S HN 1.748 nan 8.310 nan 0.000 0.555 195 L N 1.088 122.365 121.223 0.090 0.000 2.042 195 L HA -0.028 4.315 4.340 0.005 0.000 0.210 195 L C 2.297 179.241 176.870 0.123 0.000 1.076 195 L CA 2.009 56.918 54.840 0.115 0.000 0.749 195 L CB -1.311 40.816 42.059 0.113 0.000 0.893 195 L HN 0.834 nan 8.230 nan 0.000 0.432 196 E N -0.114 120.139 120.200 0.088 0.000 2.085 196 E HA -0.198 4.155 4.350 0.005 0.000 0.194 196 E C 2.029 178.672 176.600 0.071 0.000 0.994 196 E CA 1.510 57.953 56.400 0.071 0.000 0.801 196 E CB -0.358 29.363 29.700 0.035 0.000 0.743 196 E HN 0.505 nan 8.360 nan 0.000 0.453 197 N N 0.079 118.820 118.700 0.068 0.000 2.135 197 N HA -0.052 4.691 4.740 0.005 0.000 0.186 197 N C 1.590 177.198 175.510 0.164 0.000 1.027 197 N CA 0.888 53.975 53.050 0.062 0.000 0.849 197 N CB -0.138 38.385 38.487 0.060 0.000 1.002 197 N HN 0.084 nan 8.380 nan 0.000 0.425 198 R N 0.382 120.999 120.500 0.194 0.000 2.120 198 R HA 0.057 4.400 4.340 0.005 0.000 0.234 198 R C 1.812 178.292 176.300 0.299 0.000 1.123 198 R CA 1.185 57.444 56.100 0.265 0.000 0.975 198 R CB -0.186 30.237 30.300 0.206 0.000 0.866 198 R HN 0.181 nan 8.270 nan 0.000 0.446 199 A N 0.766 123.736 122.820 0.251 0.000 2.123 199 A HA -0.057 4.266 4.320 0.005 0.000 0.214 199 A C 2.008 179.782 177.584 0.317 0.000 1.152 199 A CA 0.355 52.572 52.037 0.301 0.000 0.728 199 A CB -0.290 18.925 19.000 0.357 0.000 0.814 199 A HN 0.179 nan 8.150 nan 0.000 0.464 200 R N -1.116 119.522 120.500 0.229 0.000 2.113 200 R HA -0.228 4.115 4.340 0.005 0.000 0.244 200 R C 1.876 178.317 176.300 0.235 0.000 1.142 200 R CA 2.192 58.381 56.100 0.147 0.000 0.953 200 R CB -0.517 29.735 30.300 -0.080 0.000 0.860 200 R HN 0.510 nan 8.270 nan 0.000 0.438 201 F N 0.076 120.140 119.950 0.189 0.000 2.095 201 F HA -0.277 4.255 4.527 0.007 0.000 0.298 201 F C 2.122 177.913 175.800 -0.014 0.000 1.104 201 F CA 1.700 59.652 58.000 -0.081 0.000 1.232 201 F CB -0.360 38.142 39.000 -0.830 0.000 0.987 201 F HN 0.191 nan 8.300 nan 0.000 0.475 202 W N 1.140 122.468 121.300 0.048 0.000 2.379 202 W HA -0.162 4.500 4.660 0.004 0.000 0.307 202 W C 2.156 178.657 176.519 -0.030 0.000 1.200 202 W CA 1.701 59.056 57.345 0.016 0.000 1.297 202 W CB -0.999 28.543 29.460 0.136 0.000 1.140 202 W HN 0.066 nan 8.180 nan 0.000 0.507 203 L N 0.263 121.667 121.223 0.301 0.000 2.012 203 L HA -0.248 4.095 4.340 0.005 0.000 0.210 203 L C 2.388 179.261 176.870 0.005 0.000 1.073 203 L CA 1.862 56.767 54.840 0.108 0.000 0.748 203 L CB -1.006 41.097 42.059 0.074 0.000 0.891 203 L HN -0.041 nan 8.230 nan 0.000 0.431 204 E N -0.535 119.633 120.200 -0.054 0.000 2.077 204 E HA -0.172 4.181 4.350 0.005 0.000 0.193 204 E C 2.128 178.609 176.600 -0.197 0.000 0.989 204 E CA 1.712 58.035 56.400 -0.128 0.000 0.800 204 E CB -0.129 29.484 29.700 -0.144 0.000 0.746 204 E HN 0.456 nan 8.360 nan 0.000 0.452 205 T N 1.653 116.009 114.554 -0.330 0.000 2.746 205 T HA -0.128 4.225 4.350 0.005 0.000 0.267 205 T C 1.968 176.561 174.700 -0.178 0.000 1.039 205 T CA 0.759 62.626 62.100 -0.388 0.000 1.142 205 T CB -0.201 68.241 68.868 -0.710 0.000 0.866 205 T HN 0.075 nan 8.240 nan 0.000 0.444 206 L N 0.607 121.797 121.223 -0.055 0.000 1.989 206 L HA -0.148 4.195 4.340 0.005 0.000 0.211 206 L C 2.843 179.698 176.870 -0.025 0.000 1.071 206 L CA 1.661 56.501 54.840 -0.000 0.000 0.749 206 L CB -0.465 41.615 42.059 0.035 0.000 0.890 206 L HN 0.358 nan 8.230 nan 0.000 0.431 207 E N 0.292 120.470 120.200 -0.037 0.000 2.085 207 E HA -0.261 4.092 4.350 0.005 0.000 0.194 207 E C 2.160 178.761 176.600 0.002 0.000 0.994 207 E CA 1.405 57.789 56.400 -0.026 0.000 0.801 207 E CB 0.127 29.800 29.700 -0.045 0.000 0.743 207 E HN 0.379 nan 8.360 nan 0.000 0.453 208 K N -0.097 120.289 120.400 -0.024 0.000 2.097 208 K HA -0.092 4.231 4.320 0.005 0.000 0.205 208 K C 2.164 178.803 176.600 0.065 0.000 1.050 208 K CA 1.196 57.491 56.287 0.013 0.000 0.938 208 K CB 0.054 32.532 32.500 -0.036 0.000 0.718 208 K HN 0.060 nan 8.250 nan 0.000 0.442 209 V N 1.831 121.765 119.914 0.032 0.000 2.358 209 V HA -0.230 3.893 4.120 0.005 0.000 0.246 209 V C 2.337 178.461 176.094 0.049 0.000 1.047 209 V CA 1.585 63.917 62.300 0.054 0.000 1.035 209 V CB -0.338 31.515 31.823 0.051 0.000 0.658 209 V HN 0.303 nan 8.190 nan 0.000 0.452 210 K N -0.659 119.762 120.400 0.036 0.000 2.057 210 K HA -0.253 4.070 4.320 0.005 0.000 0.207 210 K C 2.328 178.953 176.600 0.042 0.000 1.049 210 K CA 1.674 57.975 56.287 0.024 0.000 0.931 210 K CB -0.332 32.173 32.500 0.009 0.000 0.714 210 K HN 0.619 nan 8.250 nan 0.000 0.440 211 H N -0.227 118.835 119.070 -0.012 0.000 2.387 211 H HA -0.084 4.475 4.556 0.005 0.000 0.299 211 H C 1.617 176.947 175.328 0.003 0.000 1.090 211 H CA 1.580 57.623 56.048 -0.008 0.000 1.332 211 H CB 0.206 29.961 29.762 -0.013 0.000 1.386 211 H HN 0.325 nan 8.280 nan 0.000 0.516 212 A N 0.576 123.381 122.820 -0.025 0.000 1.897 212 A HA -0.032 4.291 4.320 0.005 0.000 0.215 212 A C 2.201 179.749 177.584 -0.059 0.000 1.181 212 A CA 1.916 53.918 52.037 -0.059 0.000 0.620 212 A CB -0.298 18.728 19.000 0.044 0.000 0.821 212 A HN 0.405 nan 8.150 nan 0.000 0.443 213 V N -4.361 115.541 119.914 -0.020 0.000 3.337 213 V HA 0.434 4.557 4.120 0.005 0.000 0.307 213 V C 1.580 177.670 176.094 -0.006 0.000 1.505 213 V CA 0.569 62.866 62.300 -0.005 0.000 1.072 213 V CB -0.398 31.445 31.823 0.035 0.000 0.929 213 V HN 0.333 nan 8.190 nan 0.000 0.455 214 G N 1.495 110.284 108.800 -0.018 0.000 2.479 214 G HA2 -0.176 3.787 3.960 0.005 0.000 0.220 214 G HA3 -0.176 3.787 3.960 0.005 0.000 0.220 214 G C 1.363 176.253 174.900 -0.018 0.000 1.115 214 G CA 1.448 46.539 45.100 -0.016 0.000 0.757 214 G HN 0.608 nan 8.290 nan 0.000 0.560 215 S N 0.531 116.216 115.700 -0.026 0.000 2.425 215 S HA -0.004 4.470 4.470 0.005 0.000 0.225 215 S C 1.605 176.199 174.600 -0.010 0.000 1.024 215 S CA 0.985 59.172 58.200 -0.021 0.000 0.951 215 S CB 0.044 63.226 63.200 -0.031 0.000 0.796 215 S HN 0.404 nan 8.310 nan 0.000 0.498 216 D N -0.050 120.348 120.400 -0.003 0.000 2.388 216 D HA 0.194 4.837 4.640 0.005 0.000 0.208 216 D C 0.293 176.609 176.300 0.026 0.000 1.035 216 D CA 0.368 54.374 54.000 0.009 0.000 0.875 216 D CB 0.306 41.114 40.800 0.014 0.000 0.984 216 D HN 0.312 nan 8.370 nan 0.000 0.508 217 C N 0.900 120.217 119.300 0.028 0.000 2.707 217 C HA 0.798 5.261 4.460 0.005 0.000 0.313 217 C C 0.298 175.300 174.990 0.019 0.000 1.209 217 C CA -1.262 57.781 59.018 0.042 0.000 1.635 217 C CB 1.583 29.362 27.740 0.064 0.000 2.206 217 C HN 0.242 nan 8.230 nan 0.000 0.485 218 A N 2.191 125.022 122.820 0.018 0.000 2.363 218 A HA 0.674 4.997 4.320 0.005 0.000 0.270 218 A C -0.401 177.154 177.584 -0.048 0.000 1.121 218 A CA -0.076 51.951 52.037 -0.016 0.000 0.800 218 A CB 0.044 19.040 19.000 -0.007 0.000 1.052 218 A HN 0.711 nan 8.150 nan 0.000 0.493 219 I N 2.206 122.729 120.570 -0.078 0.000 2.307 219 I HA 0.485 4.658 4.170 0.005 0.000 0.289 219 I C 0.610 176.614 176.117 -0.188 0.000 1.021 219 I CA -0.053 61.187 61.300 -0.099 0.000 1.224 219 I CB 0.359 38.315 38.000 -0.074 0.000 1.376 219 I HN 0.694 nan 8.210 nan 0.000 0.470 220 A N 4.681 127.339 122.820 -0.271 0.000 2.354 220 A HA 0.852 5.175 4.320 0.005 0.000 0.321 220 A C -0.232 177.236 177.584 -0.193 0.000 1.125 220 A CA -0.563 51.233 52.037 -0.401 0.000 0.799 220 A CB 1.834 20.335 19.000 -0.831 0.000 1.293 220 A HN 0.576 nan 8.150 nan 0.000 0.452 221 T N 0.023 114.542 114.554 -0.059 0.000 2.921 221 T HA 0.534 4.887 4.350 0.005 0.000 0.297 221 T C -0.739 174.306 174.700 0.575 0.000 1.013 221 T CA -0.491 61.797 62.100 0.313 0.000 0.990 221 T CB 0.755 69.740 68.868 0.195 0.000 1.023 221 T HN 0.730 nan 8.240 nan 0.000 0.447 222 R N 3.502 124.477 120.500 0.791 0.000 2.265 222 R HA 0.637 4.980 4.340 0.005 0.000 0.319 222 R C -1.516 175.300 176.300 0.859 0.000 1.006 222 R CA -0.548 55.984 56.100 0.722 0.000 0.880 222 R CB 0.497 31.108 30.300 0.519 0.000 1.077 222 R HN 0.470 nan 8.270 nan 0.000 0.454 223 F N 3.104 123.412 119.950 0.596 0.000 2.539 223 F HA 0.483 5.012 4.527 0.004 0.000 0.318 223 F C -0.244 175.756 175.800 0.333 0.000 1.135 223 F CA -1.569 56.795 58.000 0.606 0.000 0.915 223 F CB 1.983 41.414 39.000 0.718 0.000 1.176 223 F HN 0.607 nan 8.300 nan 0.000 0.440 224 G N 4.940 113.799 108.800 0.099 0.000 2.741 224 G HA2 0.277 4.240 3.960 0.005 0.000 0.301 224 G HA3 0.277 4.240 3.960 0.005 0.000 0.301 224 G C 0.681 175.139 174.900 -0.737 0.000 0.834 224 G CA -0.078 44.869 45.100 -0.254 0.000 1.683 224 G HN 0.744 nan 8.290 nan 0.000 0.506 225 V N 1.739 121.086 119.914 -0.944 0.000 2.867 225 V HA -0.006 4.117 4.120 0.005 0.000 0.260 225 V C 0.546 176.412 176.094 -0.380 0.000 1.099 225 V CA 1.784 63.505 62.300 -0.964 0.000 1.122 225 V CB -0.075 31.452 31.823 -0.494 0.000 0.708 225 V HN 0.639 nan 8.190 nan 0.000 0.490 226 D N -2.295 117.932 120.400 -0.288 0.000 2.937 226 D HA 0.180 4.823 4.640 0.005 0.000 0.215 226 D C 0.369 176.547 176.300 -0.204 0.000 1.274 226 D CA -0.008 53.901 54.000 -0.150 0.000 0.869 226 D CB 2.226 42.988 40.800 -0.062 0.000 1.675 226 D HN 0.069 nan 8.370 nan 0.000 0.538 227 T N 0.550 115.050 114.554 -0.089 0.000 3.129 227 T HA 0.049 4.402 4.350 0.005 0.000 0.251 227 T C 1.340 175.992 174.700 -0.081 0.000 1.117 227 T CA 0.595 62.676 62.100 -0.032 0.000 1.034 227 T CB -0.337 68.580 68.868 0.081 0.000 0.968 227 T HN 0.842 nan 8.240 nan 0.000 0.526 228 V N -1.582 118.225 119.914 -0.178 0.000 4.935 228 V HA -0.296 3.827 4.120 0.005 0.000 0.273 228 V C 0.214 176.114 176.094 -0.323 0.000 0.517 228 V CA 1.124 63.271 62.300 -0.255 0.000 0.745 228 V CB -3.125 28.429 31.823 -0.449 0.000 0.647 228 V HN 0.653 nan 8.190 nan 0.000 1.220 229 Y N 0.831 121.074 120.300 -0.096 0.000 2.500 229 Y HA 0.580 5.135 4.550 0.008 0.000 0.246 229 Y C 1.774 177.639 175.900 -0.058 0.000 1.146 229 Y CA 0.984 59.025 58.100 -0.099 0.000 1.230 229 Y CB 1.366 39.722 38.460 -0.174 0.000 1.214 229 Y HN 1.212 nan 8.280 nan 0.000 0.526 230 G N 0.867 109.720 108.800 0.089 0.000 2.615 230 G HA2 -0.217 3.746 3.960 0.005 0.000 0.218 230 G HA3 -0.217 3.746 3.960 0.005 0.000 0.218 230 G C -2.773 172.165 174.900 0.063 0.000 1.339 230 G CA -1.230 43.913 45.100 0.071 0.000 0.884 230 G HN -0.034 nan 8.290 nan 0.000 0.559 231 P HA 0.417 nan 4.420 nan 0.000 0.268 231 P C 0.978 178.295 177.300 0.030 0.000 1.205 231 P CA 1.969 65.093 63.100 0.041 0.000 0.771 231 P CB 0.851 32.572 31.700 0.036 0.000 0.858 232 G N 1.117 109.932 108.800 0.025 0.000 2.617 232 G HA2 -0.136 3.827 3.960 0.005 0.000 0.197 232 G HA3 -0.136 3.827 3.960 0.005 0.000 0.197 232 G C 0.162 175.056 174.900 -0.010 0.000 1.017 232 G CA -0.271 44.834 45.100 0.008 0.000 0.713 232 G HN 0.540 nan 8.290 nan 0.000 0.481 233 Q N -0.584 119.205 119.800 -0.019 0.000 3.375 233 Q HA 0.609 4.952 4.340 0.005 0.000 0.295 233 Q C -0.369 175.658 176.000 0.045 0.000 0.996 233 Q CA -1.052 54.736 55.803 -0.025 0.000 0.801 233 Q CB 0.907 29.562 28.738 -0.138 0.000 2.066 233 Q HN 0.176 nan 8.270 nan 0.000 0.424 234 I N 1.935 122.542 120.570 0.061 0.000 2.471 234 I HA 0.164 4.337 4.170 0.005 0.000 0.286 234 I C -0.065 176.091 176.117 0.066 0.000 1.079 234 I CA 0.550 61.901 61.300 0.086 0.000 1.398 234 I CB 0.129 38.194 38.000 0.109 0.000 1.403 234 I HN 0.482 nan 8.210 nan 0.000 0.530 235 E N 4.024 124.273 120.200 0.083 0.000 2.176 235 E HA 0.470 4.823 4.350 0.005 0.000 0.267 235 E C 0.543 177.198 176.600 0.091 0.000 0.893 235 E CA -0.583 55.869 56.400 0.088 0.000 0.761 235 E CB 2.135 31.882 29.700 0.079 0.000 1.133 235 E HN 0.674 nan 8.360 nan 0.000 0.409 236 A N 3.540 126.424 122.820 0.107 0.000 1.892 236 A HA -0.251 4.072 4.320 0.005 0.000 0.218 236 A C 1.532 179.151 177.584 0.058 0.000 1.188 236 A CA 1.649 53.738 52.037 0.087 0.000 0.631 236 A CB -0.258 18.825 19.000 0.139 0.000 0.822 236 A HN 0.690 nan 8.150 nan 0.000 0.447 237 E N -0.950 119.275 120.200 0.041 0.000 2.489 237 E HA 0.141 4.494 4.350 0.005 0.000 0.193 237 E C 0.949 177.570 176.600 0.034 0.000 1.057 237 E CA 0.145 56.557 56.400 0.020 0.000 0.866 237 E CB 0.181 29.877 29.700 -0.007 0.000 0.916 237 E HN 0.491 nan 8.360 nan 0.000 0.500 238 V N 0.688 120.635 119.914 0.056 0.000 3.903 238 V HA -0.062 4.061 4.120 0.005 0.000 0.195 238 V C 1.323 177.470 176.094 0.089 0.000 1.139 238 V CA 0.413 62.751 62.300 0.063 0.000 1.431 238 V CB -0.158 31.703 31.823 0.064 0.000 1.678 238 V HN 0.008 nan 8.190 nan 0.000 0.469 239 D N 0.953 121.423 120.400 0.116 0.000 2.144 239 D HA -0.052 4.592 4.640 0.005 0.000 0.200 239 D C 1.993 178.433 176.300 0.234 0.000 0.978 239 D CA 1.516 55.614 54.000 0.164 0.000 0.833 239 D CB -0.660 40.245 40.800 0.175 0.000 0.961 239 D HN 0.471 nan 8.370 nan 0.000 0.470 240 G N 1.098 110.032 108.800 0.223 0.000 2.586 240 G HA2 -0.349 3.614 3.960 0.005 0.000 0.218 240 G HA3 -0.349 3.614 3.960 0.005 0.000 0.218 240 G C 1.520 176.575 174.900 0.257 0.000 1.216 240 G CA 0.931 46.202 45.100 0.285 0.000 0.786 240 G HN 0.306 nan 8.290 nan 0.000 0.583 241 Q N -0.067 119.797 119.800 0.106 0.000 2.119 241 Q HA -0.048 4.295 4.340 0.005 0.000 0.201 241 Q C 2.682 178.683 176.000 0.002 0.000 0.972 241 Q CA 1.243 57.056 55.803 0.016 0.000 0.847 241 Q CB -0.104 28.627 28.738 -0.011 0.000 0.903 241 Q HN 0.466 nan 8.270 nan 0.000 0.433 242 K N 0.065 120.498 120.400 0.055 0.000 2.057 242 K HA -0.153 4.170 4.320 0.005 0.000 0.207 242 K C 1.802 178.422 176.600 0.034 0.000 1.049 242 K CA 1.205 57.517 56.287 0.041 0.000 0.931 242 K CB -0.206 32.337 32.500 0.071 0.000 0.714 242 K HN 0.101 nan 8.250 nan 0.000 0.440 243 F N 1.426 121.350 119.950 -0.044 0.000 2.134 243 F HA -0.191 4.340 4.527 0.007 0.000 0.299 243 F C 1.833 177.517 175.800 -0.193 0.000 1.097 243 F CA 0.977 58.892 58.000 -0.141 0.000 1.264 243 F CB -0.304 38.550 39.000 -0.243 0.000 1.001 243 F HN -0.280 nan 8.300 nan 0.000 0.479 244 V N 0.766 120.454 119.914 -0.375 0.000 2.287 244 V HA -0.326 3.798 4.120 0.005 0.000 0.248 244 V C 2.335 178.234 176.094 -0.324 0.000 1.053 244 V CA 2.399 64.330 62.300 -0.615 0.000 1.027 244 V CB -0.732 30.655 31.823 -0.727 0.000 0.646 244 V HN 0.364 nan 8.190 nan 0.000 0.447 245 E N -0.569 119.499 120.200 -0.221 0.000 2.058 245 E HA -0.262 4.091 4.350 0.005 0.000 0.194 245 E C 2.259 178.774 176.600 -0.142 0.000 0.997 245 E CA 1.655 57.976 56.400 -0.133 0.000 0.801 245 E CB -0.239 29.408 29.700 -0.088 0.000 0.746 245 E HN 0.532 nan 8.360 nan 0.000 0.450 246 M N 0.090 119.569 119.600 -0.203 0.000 2.080 246 M HA -0.163 4.320 4.480 0.005 0.000 0.260 246 M C 2.277 178.418 176.300 -0.264 0.000 1.068 246 M CA 1.633 56.809 55.300 -0.207 0.000 1.109 246 M CB -0.102 32.380 32.600 -0.197 0.000 1.342 246 M HN 0.099 nan 8.290 nan 0.000 0.405 247 A N -1.160 121.392 122.820 -0.445 0.000 2.238 247 A HA -0.057 4.266 4.320 0.005 0.000 0.210 247 A C 1.428 178.929 177.584 -0.139 0.000 1.179 247 A CA 0.739 52.544 52.037 -0.388 0.000 0.827 247 A CB -0.457 18.077 19.000 -0.776 0.000 0.856 247 A HN 0.374 nan 8.150 nan 0.000 0.488 248 D N 1.067 121.487 120.400 0.034 0.000 2.149 248 D HA -0.203 4.440 4.640 0.005 0.000 0.194 248 D C 2.280 178.591 176.300 0.019 0.000 1.001 248 D CA 2.176 56.272 54.000 0.160 0.000 0.849 248 D CB 0.039 40.916 40.800 0.127 0.000 0.939 248 D HN 0.514 nan 8.370 nan 0.000 0.449 249 S N -1.076 114.603 115.700 -0.035 0.000 2.453 249 S HA -0.046 4.427 4.470 0.005 0.000 0.231 249 S C 2.062 176.617 174.600 -0.074 0.000 1.005 249 S CA 0.364 58.536 58.200 -0.046 0.000 0.949 249 S CB -0.320 62.855 63.200 -0.042 0.000 0.774 249 S HN 0.322 nan 8.310 nan 0.000 0.510 250 L N 1.592 122.747 121.223 -0.114 0.000 2.446 250 L HA 0.285 4.628 4.340 0.005 0.000 0.219 250 L C 0.742 177.508 176.870 -0.173 0.000 1.116 250 L CA -0.071 54.693 54.840 -0.126 0.000 0.844 250 L CB 0.220 42.201 42.059 -0.130 0.000 0.970 250 L HN 0.366 nan 8.230 nan 0.000 0.457 251 V N -4.627 115.132 119.914 -0.258 0.000 2.630 251 V HA 0.370 4.493 4.120 0.005 0.000 0.305 251 V C 0.202 176.136 176.094 -0.266 0.000 1.046 251 V CA -0.630 61.451 62.300 -0.365 0.000 0.934 251 V CB 1.862 33.212 31.823 -0.789 0.000 1.003 251 V HN -0.025 nan 8.190 nan 0.000 0.451 252 D N 2.569 122.830 120.400 -0.232 0.000 2.327 252 D HA 0.224 4.867 4.640 0.005 0.000 0.205 252 D C 0.339 176.554 176.300 -0.142 0.000 0.989 252 D CA 1.101 55.014 54.000 -0.146 0.000 0.873 252 D CB 0.845 41.581 40.800 -0.106 0.000 0.955 252 D HN 0.709 nan 8.370 nan 0.000 0.515 253 M N -0.343 119.118 119.600 -0.232 0.000 2.426 253 M HA 0.253 4.736 4.480 0.005 0.000 0.289 253 M C -2.223 173.958 176.300 -0.198 0.000 1.168 253 M CA -0.571 54.639 55.300 -0.150 0.000 0.933 253 M CB 1.802 34.321 32.600 -0.135 0.000 1.750 253 M HN -0.238 nan 8.290 nan 0.000 0.494 254 W N 3.246 124.554 121.300 0.013 0.000 2.433 254 W HA 0.461 5.124 4.660 0.004 0.000 0.315 254 W C -0.466 176.126 176.519 0.120 0.000 1.087 254 W CA 0.125 57.527 57.345 0.094 0.000 1.205 254 W CB 1.037 30.555 29.460 0.097 0.000 1.288 254 W HN 0.444 nan 8.180 nan 0.000 0.504 255 D N 4.182 124.864 120.400 0.470 0.000 2.453 255 D HA 0.259 4.902 4.640 0.005 0.000 0.238 255 D C -0.917 175.642 176.300 0.431 0.000 1.088 255 D CA -0.317 53.924 54.000 0.402 0.000 0.854 255 D CB 0.787 41.907 40.800 0.533 0.000 1.076 255 D HN 0.072 nan 8.370 nan 0.000 0.533 256 I N 2.846 123.604 120.570 0.313 0.000 2.437 256 I HA 0.377 4.550 4.170 0.005 0.000 0.298 256 I C 1.069 177.257 176.117 0.118 0.000 0.984 256 I CA -0.434 61.002 61.300 0.226 0.000 1.214 256 I CB 1.212 39.303 38.000 0.152 0.000 1.365 256 I HN 0.423 nan 8.210 nan 0.000 0.469 257 T N 3.924 118.495 114.554 0.027 0.000 2.778 257 T HA 0.865 5.218 4.350 0.005 0.000 0.293 257 T C -0.495 174.091 174.700 -0.190 0.000 1.144 257 T CA -0.762 61.300 62.100 -0.063 0.000 1.010 257 T CB 2.343 71.162 68.868 -0.082 0.000 1.325 257 T HN 0.547 nan 8.240 nan 0.000 0.515 258 I N -2.587 117.830 120.570 -0.254 0.000 2.969 258 I HA 0.844 5.018 4.170 0.005 0.000 0.307 258 I C 0.224 176.161 176.117 -0.299 0.000 1.149 258 I CA -0.778 60.294 61.300 -0.381 0.000 1.008 258 I CB 1.619 39.208 38.000 -0.684 0.000 1.232 258 I HN 1.423 nan 8.210 nan 0.000 0.435 259 G N 2.940 111.568 108.800 -0.286 0.000 2.710 259 G HA2 -0.017 3.946 3.960 0.005 0.000 0.668 259 G HA3 -0.017 3.946 3.960 0.005 0.000 0.668 259 G C -1.128 173.736 174.900 -0.059 0.000 1.320 259 G CA 0.073 45.075 45.100 -0.163 0.000 0.860 259 G HN 1.244 nan 8.290 nan 0.000 0.538 260 D N -1.314 119.115 120.400 0.048 0.000 2.443 260 D HA 0.608 5.251 4.640 0.005 0.000 0.249 260 D C 1.742 178.055 176.300 0.022 0.000 1.218 260 D CA 0.083 54.109 54.000 0.042 0.000 1.108 260 D CB 0.314 41.182 40.800 0.113 0.000 1.197 260 D HN 0.803 nan 8.370 nan 0.000 0.600 261 I N -0.978 119.516 120.570 -0.126 0.000 3.445 261 I HA 0.196 4.369 4.170 0.005 0.000 0.288 261 I C 2.058 178.017 176.117 -0.263 0.000 1.198 261 I CA 0.415 61.508 61.300 -0.346 0.000 1.417 261 I CB -0.009 37.509 38.000 -0.805 0.000 1.205 261 I HN 0.377 nan 8.210 nan 0.000 0.448 262 A N 0.337 123.073 122.820 -0.140 0.000 1.978 262 A HA -0.139 4.184 4.320 0.005 0.000 0.220 262 A C 1.433 179.126 177.584 0.181 0.000 1.170 262 A CA 1.481 53.564 52.037 0.076 0.000 0.636 262 A CB -0.350 18.757 19.000 0.178 0.000 0.810 262 A HN 0.593 nan 8.150 nan 0.000 0.448 263 E N 0.013 120.317 120.200 0.174 0.000 3.846 263 E HA 0.050 4.403 4.350 0.005 0.000 0.216 263 E C 0.193 176.878 176.600 0.140 0.000 1.092 263 E CA -0.503 55.978 56.400 0.134 0.000 1.370 263 E CB -0.029 29.716 29.700 0.075 0.000 1.227 263 E HN 0.910 nan 8.360 nan 0.000 0.442 264 W N 0.219 121.510 121.300 -0.015 0.000 3.096 264 W HA 0.155 4.818 4.660 0.005 0.000 0.241 264 W C 0.673 177.209 176.519 0.028 0.000 1.316 264 W CA 0.347 57.700 57.345 0.013 0.000 1.520 264 W CB -0.806 28.668 29.460 0.024 0.000 1.128 264 W HN 0.124 nan 8.180 nan 0.000 0.707 265 G N 1.325 109.987 108.800 -0.230 0.000 2.598 265 G HA2 -0.227 3.736 3.960 0.005 0.000 0.215 265 G HA3 -0.227 3.736 3.960 0.005 0.000 0.215 265 G C 1.452 176.318 174.900 -0.057 0.000 1.131 265 G CA 0.373 45.342 45.100 -0.218 0.000 0.785 265 G HN 0.151 nan 8.290 nan 0.000 0.539 266 E N 0.684 120.847 120.200 -0.061 0.000 2.285 266 E HA -0.049 4.304 4.350 0.005 0.000 0.194 266 E C 1.797 178.306 176.600 -0.151 0.000 0.997 266 E CA 0.949 57.248 56.400 -0.168 0.000 0.845 266 E CB 0.125 29.688 29.700 -0.228 0.000 0.782 266 E HN 0.537 nan 8.360 nan 0.000 0.491 267 D N 0.734 121.130 120.400 -0.006 0.000 2.255 267 D HA -0.007 4.636 4.640 0.005 0.000 0.224 267 D C 0.620 176.997 176.300 0.128 0.000 0.997 267 D CA 1.049 55.097 54.000 0.082 0.000 0.906 267 D CB -0.181 40.774 40.800 0.259 0.000 1.047 267 D HN -0.033 nan 8.370 nan 0.000 0.458 268 A N 0.647 123.508 122.820 0.070 0.000 3.048 268 A HA 0.514 4.837 4.320 0.005 0.000 0.264 268 A C 0.881 178.430 177.584 -0.060 0.000 1.796 268 A CA 0.159 52.176 52.037 -0.034 0.000 1.445 268 A CB -1.338 17.490 19.000 -0.287 0.000 1.074 268 A HN 0.341 nan 8.150 nan 0.000 0.621 269 G N 2.265 111.055 108.800 -0.017 0.000 2.192 269 G HA2 0.363 4.326 3.960 0.005 0.000 0.258 269 G HA3 0.363 4.326 3.960 0.005 0.000 0.258 269 G C -2.629 172.291 174.900 0.034 0.000 1.185 269 G CA -0.490 44.572 45.100 -0.063 0.000 0.976 269 G HN 0.411 nan 8.290 nan 0.000 0.446 270 P HA 0.110 nan 4.420 nan 0.000 0.275 270 P C 1.157 178.474 177.300 0.028 0.000 1.228 270 P CA -0.315 62.836 63.100 0.084 0.000 0.786 270 P CB 1.282 33.061 31.700 0.132 0.000 0.927 271 S N 2.949 118.666 115.700 0.029 0.000 2.442 271 S HA -0.212 4.261 4.470 0.005 0.000 0.236 271 S C 1.827 176.332 174.600 -0.159 0.000 1.007 271 S CA 0.647 58.840 58.200 -0.012 0.000 0.965 271 S CB -0.742 62.493 63.200 0.058 0.000 0.773 271 S HN 0.420 nan 8.310 nan 0.000 0.504 272 R N 0.299 120.631 120.500 -0.281 0.000 2.127 272 R HA -0.068 4.275 4.340 0.005 0.000 0.238 272 R C 1.080 176.863 176.300 -0.861 0.000 1.134 272 R CA 1.832 57.541 56.100 -0.651 0.000 0.975 272 R CB -0.208 29.551 30.300 -0.901 0.000 0.865 272 R HN 0.598 nan 8.270 nan 0.000 0.447 273 F N -2.600 117.152 119.950 -0.330 0.000 2.667 273 F HA 0.267 4.797 4.527 0.006 0.000 0.288 273 F C -0.118 175.200 175.800 -0.803 0.000 1.086 273 F CA -0.732 56.895 58.000 -0.621 0.000 1.297 273 F CB 0.476 38.945 39.000 -0.885 0.000 1.059 273 F HN -0.180 nan 8.300 nan 0.000 0.624 274 Y N 1.052 121.346 120.300 -0.010 0.000 2.446 274 Y HA 0.488 5.041 4.550 0.005 0.000 0.345 274 Y C -0.070 175.777 175.900 -0.089 0.000 0.984 274 Y CA -1.741 56.291 58.100 -0.113 0.000 1.058 274 Y CB 0.999 39.169 38.460 -0.485 0.000 1.220 274 Y HN -0.147 nan 8.280 nan 0.000 0.455 275 Q N 0.875 120.777 119.800 0.170 0.000 2.199 275 Q HA 0.255 4.598 4.340 0.005 0.000 0.232 275 Q C -0.509 175.605 176.000 0.190 0.000 0.969 275 Q CA -1.186 54.706 55.803 0.148 0.000 0.925 275 Q CB 1.208 30.033 28.738 0.146 0.000 1.198 275 Q HN 0.636 nan 8.270 nan 0.000 0.494 276 Q N -0.260 119.635 119.800 0.158 0.000 2.315 276 Q HA 0.100 4.443 4.340 0.005 0.000 0.289 276 Q C 0.388 176.462 176.000 0.124 0.000 1.044 276 Q CA 1.131 56.998 55.803 0.106 0.000 0.920 276 Q CB 0.021 28.846 28.738 0.144 0.000 1.214 276 Q HN 0.877 nan 8.270 nan 0.000 0.392 277 G N 2.902 111.668 108.800 -0.058 0.000 2.148 277 G HA2 -0.356 3.607 3.960 0.005 0.000 0.254 277 G HA3 -0.356 3.607 3.960 0.005 0.000 0.254 277 G C 0.190 175.159 174.900 0.115 0.000 0.981 277 G CA 0.897 46.059 45.100 0.104 0.000 0.670 277 G HN 1.123 nan 8.290 nan 0.000 0.528 278 H N -1.286 117.812 119.070 0.046 0.000 2.489 278 H HA 0.027 4.586 4.556 0.005 0.000 0.295 278 H C 2.354 177.762 175.328 0.133 0.000 1.082 278 H CA 2.066 58.172 56.048 0.098 0.000 1.295 278 H CB -0.297 29.511 29.762 0.077 0.000 1.380 278 H HN 0.529 nan 8.280 nan 0.000 0.548 279 T N -1.956 112.359 114.554 -0.399 0.000 3.081 279 T HA 0.139 4.492 4.350 0.005 0.000 0.250 279 T C 1.844 176.620 174.700 0.127 0.000 1.100 279 T CA 0.275 62.286 62.100 -0.148 0.000 1.038 279 T CB -0.363 68.292 68.868 -0.355 0.000 0.962 279 T HN 0.390 nan 8.240 nan 0.000 0.516 280 I N 2.173 122.777 120.570 0.057 0.000 2.143 280 I HA -0.152 4.021 4.170 0.005 0.000 0.245 280 I C -0.601 175.421 176.117 -0.159 0.000 1.068 280 I CA 1.542 62.822 61.300 -0.034 0.000 1.326 280 I CB -1.274 36.686 38.000 -0.066 0.000 1.028 280 I HN 0.242 nan 8.210 nan 0.000 0.412 281 P HA -0.186 nan 4.420 nan 0.000 0.217 281 P C 1.362 178.408 177.300 -0.424 0.000 1.148 281 P CA 1.588 64.422 63.100 -0.444 0.000 0.828 281 P CB -0.127 31.122 31.700 -0.751 0.000 0.783 282 W N -1.365 119.848 121.300 -0.145 0.000 2.525 282 W HA 0.023 4.686 4.660 0.005 0.000 0.288 282 W C 1.988 178.431 176.519 -0.127 0.000 1.200 282 W CA 0.371 57.636 57.345 -0.133 0.000 1.349 282 W CB -0.989 28.387 29.460 -0.141 0.000 1.102 282 W HN -0.247 nan 8.180 nan 0.000 0.558 283 V N 2.050 122.040 119.914 0.126 0.000 2.343 283 V HA -0.336 3.787 4.120 0.005 0.000 0.247 283 V C 2.415 178.512 176.094 0.005 0.000 1.051 283 V CA 2.569 64.904 62.300 0.059 0.000 1.036 283 V CB -1.018 30.852 31.823 0.079 0.000 0.654 283 V HN 0.205 nan 8.190 nan 0.000 0.451 284 K N 0.612 120.971 120.400 -0.068 0.000 2.209 284 K HA -0.129 4.194 4.320 0.005 0.000 0.204 284 K C 1.984 178.553 176.600 -0.051 0.000 1.048 284 K CA 1.617 57.862 56.287 -0.071 0.000 0.940 284 K CB -0.538 31.800 32.500 -0.270 0.000 0.729 284 K HN 0.390 nan 8.250 nan 0.000 0.451 285 L N 1.351 122.530 121.223 -0.072 0.000 2.191 285 L HA -0.142 4.202 4.340 0.005 0.000 0.212 285 L C 2.311 179.142 176.870 -0.066 0.000 1.103 285 L CA 0.541 55.341 54.840 -0.066 0.000 0.769 285 L CB -0.311 41.709 42.059 -0.065 0.000 0.908 285 L HN 0.048 nan 8.230 nan 0.000 0.438 286 V N -0.935 118.937 119.914 -0.070 0.000 2.346 286 V HA -0.174 3.949 4.120 0.005 0.000 0.244 286 V C 2.529 178.550 176.094 -0.122 0.000 1.037 286 V CA 1.256 63.473 62.300 -0.137 0.000 1.029 286 V CB -0.434 31.296 31.823 -0.155 0.000 0.663 286 V HN 0.312 nan 8.190 nan 0.000 0.454 287 K N 0.215 120.587 120.400 -0.046 0.000 2.103 287 K HA -0.241 4.082 4.320 0.005 0.000 0.207 287 K C 2.181 178.769 176.600 -0.020 0.000 1.048 287 K CA 1.565 57.845 56.287 -0.012 0.000 0.930 287 K CB -0.441 32.082 32.500 0.039 0.000 0.716 287 K HN 0.566 nan 8.250 nan 0.000 0.444 288 Q N 0.677 120.463 119.800 -0.022 0.000 2.197 288 Q HA -0.149 4.194 4.340 0.005 0.000 0.207 288 Q C 1.622 177.598 176.000 -0.038 0.000 0.984 288 Q CA 1.828 57.617 55.803 -0.022 0.000 0.869 288 Q CB 0.253 28.974 28.738 -0.027 0.000 0.906 288 Q HN 0.239 nan 8.270 nan 0.000 0.426 289 V N -4.055 115.819 119.914 -0.067 0.000 3.604 289 V HA 0.316 4.439 4.120 0.005 0.000 0.277 289 V C 0.580 176.622 176.094 -0.086 0.000 1.399 289 V CA 0.047 62.302 62.300 -0.076 0.000 1.034 289 V CB 0.911 32.679 31.823 -0.091 0.000 0.824 289 V HN 0.106 nan 8.190 nan 0.000 0.439 290 S N 0.587 116.227 115.700 -0.100 0.000 2.646 290 S HA 0.478 4.951 4.470 0.005 0.000 0.276 290 S C 0.561 175.169 174.600 0.013 0.000 1.222 290 S CA -0.555 57.610 58.200 -0.059 0.000 1.014 290 S CB 1.386 64.514 63.200 -0.120 0.000 0.991 290 S HN 0.469 nan 8.310 nan 0.000 0.533 291 K N 1.358 121.793 120.400 0.058 0.000 2.413 291 K HA 0.239 4.562 4.320 0.005 0.000 0.204 291 K C -0.350 176.293 176.600 0.071 0.000 1.041 291 K CA -0.225 56.090 56.287 0.048 0.000 1.082 291 K CB 0.450 32.969 32.500 0.031 0.000 0.871 291 K HN 0.337 nan 8.250 nan 0.000 0.535 292 K N 1.131 121.610 120.400 0.132 0.000 2.238 292 K HA 0.424 4.747 4.320 0.005 0.000 0.239 292 K C -2.772 173.913 176.600 0.143 0.000 0.987 292 K CA -2.596 53.772 56.287 0.133 0.000 0.857 292 K CB 0.758 33.359 32.500 0.167 0.000 1.154 292 K HN -0.255 nan 8.250 nan 0.000 0.439 293 P HA 0.054 nan 4.420 nan 0.000 0.265 293 P C -0.734 176.637 177.300 0.118 0.000 1.193 293 P CA -0.027 63.111 63.100 0.063 0.000 0.765 293 P CB 0.500 32.207 31.700 0.013 0.000 0.823 294 V N 4.517 124.491 119.914 0.099 0.000 2.680 294 V HA 0.629 4.752 4.120 0.005 0.000 0.309 294 V C -0.045 176.092 176.094 0.073 0.000 1.052 294 V CA -0.578 61.805 62.300 0.137 0.000 0.908 294 V CB 1.639 33.531 31.823 0.116 0.000 1.001 294 V HN 0.369 nan 8.190 nan 0.000 0.431 295 L N 1.876 123.155 121.223 0.093 0.000 2.466 295 L HA 1.120 5.463 4.340 0.005 0.000 0.258 295 L C -0.393 176.558 176.870 0.134 0.000 0.973 295 L CA -0.382 54.498 54.840 0.067 0.000 0.826 295 L CB 2.261 44.305 42.059 -0.024 0.000 1.372 295 L HN 0.737 nan 8.230 nan 0.000 0.409 296 G N 1.466 110.362 108.800 0.159 0.000 2.608 296 G HA2 0.574 4.537 3.960 0.005 0.000 0.285 296 G HA3 0.574 4.537 3.960 0.005 0.000 0.285 296 G C -0.589 174.461 174.900 0.249 0.000 1.407 296 G CA -0.142 45.065 45.100 0.179 0.000 1.276 296 G HN 1.274 nan 8.290 nan 0.000 0.587 297 V N 0.871 120.910 119.914 0.210 0.000 3.332 297 V HA 0.768 4.891 4.120 0.005 0.000 0.305 297 V C 0.973 177.082 176.094 0.025 0.000 1.114 297 V CA 0.699 63.118 62.300 0.199 0.000 1.194 297 V CB 1.561 33.473 31.823 0.149 0.000 1.027 297 V HN 1.802 nan 8.190 nan 0.000 0.492 298 G N 1.888 110.544 108.800 -0.240 0.000 5.473 298 G HA2 0.246 4.209 3.960 0.005 0.000 0.206 298 G HA3 0.246 4.209 3.960 0.005 0.000 0.206 298 G C 0.199 174.736 174.900 -0.604 0.000 0.904 298 G CA -0.136 44.626 45.100 -0.565 0.000 0.697 298 G HN 1.157 nan 8.290 nan 0.000 0.279 299 R N -0.443 119.922 120.500 -0.225 0.000 3.251 299 R HA -0.217 4.126 4.340 0.005 0.000 0.249 299 R C -0.719 175.536 176.300 -0.075 0.000 0.949 299 R CA 0.268 56.330 56.100 -0.063 0.000 0.645 299 R CB -1.618 28.701 30.300 0.031 0.000 1.065 299 R HN 0.411 nan 8.270 nan 0.000 0.452 300 Y N -0.386 120.024 120.300 0.183 0.000 2.436 300 Y HA 0.094 4.647 4.550 0.005 0.000 0.336 300 Y C 1.793 177.807 175.900 0.189 0.000 1.049 300 Y CA 0.596 58.800 58.100 0.172 0.000 1.294 300 Y CB 1.333 39.886 38.460 0.155 0.000 1.179 300 Y HN 0.284 nan 8.280 nan 0.000 0.520 301 T N -2.969 111.769 114.554 0.305 0.000 3.046 301 T HA 0.099 4.452 4.350 0.005 0.000 0.270 301 T C -0.295 174.510 174.700 0.175 0.000 0.920 301 T CA -0.260 61.977 62.100 0.227 0.000 0.874 301 T CB 0.192 69.159 68.868 0.164 0.000 1.214 301 T HN 0.380 nan 8.240 nan 0.000 0.536 302 D N 2.419 122.923 120.400 0.174 0.000 2.329 302 D HA 0.434 5.077 4.640 0.005 0.000 0.232 302 D C -1.940 174.400 176.300 0.066 0.000 1.088 302 D CA -2.591 51.472 54.000 0.104 0.000 0.835 302 D CB 2.174 43.031 40.800 0.095 0.000 1.078 302 D HN -0.121 nan 8.370 nan 0.000 0.495 303 P HA -0.132 nan 4.420 nan 0.000 0.217 303 P C 0.957 178.165 177.300 -0.153 0.000 1.148 303 P CA 0.863 63.855 63.100 -0.178 0.000 0.828 303 P CB 0.418 31.836 31.700 -0.470 0.000 0.783 304 E N -0.368 119.810 120.200 -0.037 0.000 2.072 304 E HA -0.184 4.170 4.350 0.005 0.000 0.191 304 E C 1.910 178.532 176.600 0.036 0.000 0.985 304 E CA 1.198 57.627 56.400 0.049 0.000 0.801 304 E CB -0.377 29.355 29.700 0.054 0.000 0.750 304 E HN 0.129 nan 8.360 nan 0.000 0.452 305 K N 0.698 121.128 120.400 0.051 0.000 2.103 305 K HA 0.019 4.343 4.320 0.005 0.000 0.204 305 K C 2.113 178.692 176.600 -0.035 0.000 1.052 305 K CA 0.949 57.282 56.287 0.077 0.000 0.945 305 K CB -0.202 32.418 32.500 0.199 0.000 0.722 305 K HN 0.033 nan 8.250 nan 0.000 0.443 306 M N 0.437 119.984 119.600 -0.089 0.000 2.080 306 M HA -0.136 4.347 4.480 0.005 0.000 0.260 306 M C 2.090 178.278 176.300 -0.187 0.000 1.068 306 M CA 1.971 57.135 55.300 -0.226 0.000 1.109 306 M CB -0.628 31.851 32.600 -0.202 0.000 1.342 306 M HN 0.236 nan 8.290 nan 0.000 0.405 307 I N -1.824 118.687 120.570 -0.099 0.000 2.394 307 I HA -0.180 3.994 4.170 0.005 0.000 0.251 307 I C 2.200 178.270 176.117 -0.079 0.000 1.136 307 I CA 1.509 62.773 61.300 -0.060 0.000 1.425 307 I CB -0.728 37.302 38.000 0.049 0.000 1.079 307 I HN 0.370 nan 8.210 nan 0.000 0.425 308 E N 2.418 122.579 120.200 -0.065 0.000 2.051 308 E HA -0.247 4.106 4.350 0.005 0.000 0.192 308 E C 2.374 178.877 176.600 -0.161 0.000 0.991 308 E CA 2.340 58.693 56.400 -0.078 0.000 0.799 308 E CB -0.259 29.436 29.700 -0.008 0.000 0.748 308 E HN 0.814 nan 8.360 nan 0.000 0.449 309 I N -1.535 118.960 120.570 -0.124 0.000 2.315 309 I HA -0.168 4.005 4.170 0.005 0.000 0.248 309 I C 2.173 178.177 176.117 -0.189 0.000 1.117 309 I CA 0.823 62.059 61.300 -0.107 0.000 1.404 309 I CB -0.344 37.644 38.000 -0.019 0.000 1.071 309 I HN -0.072 nan 8.210 nan 0.000 0.419 310 V N 2.353 122.162 119.914 -0.175 0.000 2.270 310 V HA -0.237 3.886 4.120 0.005 0.000 0.245 310 V C 2.999 179.001 176.094 -0.153 0.000 1.043 310 V CA 2.659 64.869 62.300 -0.150 0.000 1.014 310 V CB -1.263 30.472 31.823 -0.146 0.000 0.645 310 V HN 0.728 nan 8.190 nan 0.000 0.447 311 T N -1.955 112.508 114.554 -0.153 0.000 2.915 311 T HA -0.172 4.181 4.350 0.005 0.000 0.269 311 T C 1.639 176.221 174.700 -0.197 0.000 1.071 311 T CA 1.154 63.172 62.100 -0.136 0.000 1.132 311 T CB -0.317 68.493 68.868 -0.097 0.000 0.878 311 T HN 0.403 nan 8.240 nan 0.000 0.479 312 K N 0.813 121.010 120.400 -0.338 0.000 2.487 312 K HA 0.306 4.629 4.320 0.005 0.000 0.192 312 K C 1.358 177.661 176.600 -0.494 0.000 1.027 312 K CA 0.300 56.277 56.287 -0.515 0.000 1.054 312 K CB -0.185 31.757 32.500 -0.930 0.000 0.824 312 K HN 0.547 nan 8.250 nan 0.000 0.510 313 G N 1.018 109.645 108.800 -0.287 0.000 2.176 313 G HA2 -0.266 3.697 3.960 0.005 0.000 0.252 313 G HA3 -0.266 3.697 3.960 0.005 0.000 0.252 313 G C 0.275 175.202 174.900 0.046 0.000 1.024 313 G CA 0.211 45.247 45.100 -0.107 0.000 0.755 313 G HN 0.269 nan 8.290 nan 0.000 0.507 314 Y N -0.545 119.737 120.300 -0.030 0.000 2.420 314 Y HA 0.566 5.119 4.550 0.006 0.000 0.292 314 Y C 1.704 177.592 175.900 -0.020 0.000 1.119 314 Y CA 0.390 58.477 58.100 -0.021 0.000 1.229 314 Y CB 0.001 38.453 38.460 -0.014 0.000 1.026 314 Y HN 0.926 nan 8.280 nan 0.000 0.554 315 A N -0.967 121.917 122.820 0.105 0.000 2.599 315 A HA 0.528 4.851 4.320 0.005 0.000 0.290 315 A C -0.352 177.222 177.584 -0.017 0.000 1.101 315 A CA -0.402 51.660 52.037 0.043 0.000 0.674 315 A CB 0.537 19.555 19.000 0.030 0.000 1.277 315 A HN 0.070 nan 8.150 nan 0.000 0.419 316 D N -0.406 119.980 120.400 -0.023 0.000 2.454 316 D HA 0.256 4.899 4.640 0.005 0.000 0.219 316 D C 0.018 176.269 176.300 -0.081 0.000 1.081 316 D CA 0.924 54.895 54.000 -0.048 0.000 0.867 316 D CB 0.800 41.587 40.800 -0.023 0.000 1.054 316 D HN 0.469 nan 8.370 nan 0.000 0.500 317 I N 1.404 121.926 120.570 -0.080 0.000 2.785 317 I HA 0.228 4.402 4.170 0.005 0.000 0.302 317 I C -0.685 175.376 176.117 -0.094 0.000 1.069 317 I CA -0.953 60.286 61.300 -0.101 0.000 1.045 317 I CB 3.035 40.974 38.000 -0.101 0.000 1.236 317 I HN -0.298 nan 8.210 nan 0.000 0.429 318 I N 3.727 124.225 120.570 -0.120 0.000 2.287 318 I HA 0.288 4.461 4.170 0.005 0.000 0.290 318 I C 0.666 176.905 176.117 0.203 0.000 1.069 318 I CA -0.061 61.200 61.300 -0.066 0.000 1.237 318 I CB 0.268 38.104 38.000 -0.273 0.000 1.418 318 I HN 0.593 nan 8.210 nan 0.000 0.481 319 G N 5.623 114.584 108.800 0.268 0.000 2.338 319 G HA2 0.497 4.460 3.960 0.005 0.000 0.298 319 G HA3 0.497 4.460 3.960 0.005 0.000 0.298 319 G C -0.682 174.462 174.900 0.407 0.000 1.140 319 G CA -0.088 45.245 45.100 0.387 0.000 0.860 319 G HN 0.658 nan 8.290 nan 0.000 0.470 320 C N 0.785 120.317 119.300 0.385 0.000 2.898 320 C HA 0.855 5.318 4.460 0.005 0.000 0.304 320 C C 1.017 176.052 174.990 0.075 0.000 1.237 320 C CA 0.264 59.446 59.018 0.274 0.000 1.529 320 C CB 1.544 29.537 27.740 0.422 0.000 2.021 320 C HN 1.002 nan 8.230 nan 0.000 0.474 321 A N 1.331 124.144 122.820 -0.011 0.000 1.878 321 A HA 0.310 4.633 4.320 0.005 0.000 0.188 321 A C 1.834 179.213 177.584 -0.342 0.000 2.104 321 A CA -0.124 51.775 52.037 -0.230 0.000 1.140 321 A CB -0.404 18.500 19.000 -0.160 0.000 1.057 321 A HN 0.780 nan 8.150 nan 0.000 0.646 322 R N 0.409 120.794 120.500 -0.192 0.000 2.083 322 R HA -0.097 4.246 4.340 0.005 0.000 0.237 322 R C -0.916 175.368 176.300 -0.025 0.000 1.137 322 R CA 2.070 58.098 56.100 -0.120 0.000 0.951 322 R CB -1.419 28.852 30.300 -0.048 0.000 0.851 322 R HN 0.359 nan 8.270 nan 0.000 0.434 323 P HA -0.165 nan 4.420 nan 0.000 0.218 323 P C 1.225 178.645 177.300 0.200 0.000 1.148 323 P CA 1.732 64.931 63.100 0.165 0.000 0.822 323 P CB 0.032 31.899 31.700 0.278 0.000 0.784 324 S N -1.775 113.962 115.700 0.061 0.000 2.461 324 S HA -0.030 4.443 4.470 0.005 0.000 0.228 324 S C 1.866 176.462 174.600 -0.007 0.000 1.005 324 S CA 0.587 58.747 58.200 -0.066 0.000 0.942 324 S CB -1.278 61.459 63.200 -0.771 0.000 0.776 324 S HN 0.053 nan 8.310 nan 0.000 0.514 325 I N 1.976 122.547 120.570 0.001 0.000 2.277 325 I HA -0.008 4.165 4.170 0.005 0.000 0.243 325 I C 3.103 179.280 176.117 0.100 0.000 1.094 325 I CA 1.007 62.368 61.300 0.102 0.000 1.393 325 I CB -0.675 37.346 38.000 0.034 0.000 1.078 325 I HN 0.411 nan 8.210 nan 0.000 0.417 326 A N -0.609 122.248 122.820 0.062 0.000 1.933 326 A HA -0.205 4.118 4.320 0.005 0.000 0.218 326 A C 1.043 178.654 177.584 0.045 0.000 1.175 326 A CA 1.730 53.788 52.037 0.036 0.000 0.628 326 A CB -0.187 18.826 19.000 0.022 0.000 0.814 326 A HN 0.407 nan 8.150 nan 0.000 0.444 327 D N -2.636 117.835 120.400 0.119 0.000 2.364 327 D HA 0.356 4.999 4.640 0.005 0.000 0.251 327 D C -2.440 174.046 176.300 0.310 0.000 1.282 327 D CA -1.681 52.420 54.000 0.168 0.000 0.927 327 D CB 1.247 42.128 40.800 0.136 0.000 1.267 327 D HN -0.094 nan 8.370 nan 0.000 0.531 328 P HA -0.021 nan 4.420 nan 0.000 0.221 328 P C 0.679 178.278 177.300 0.497 0.000 1.145 328 P CA 0.768 64.090 63.100 0.370 0.000 0.795 328 P CB 0.063 31.894 31.700 0.218 0.000 0.775 329 F N -1.556 118.482 119.950 0.148 0.000 2.639 329 F HA 0.134 4.664 4.527 0.005 0.000 0.300 329 F C 1.829 177.589 175.800 -0.068 0.000 1.109 329 F CA -0.334 57.691 58.000 0.040 0.000 1.335 329 F CB -0.650 38.370 39.000 0.033 0.000 1.014 329 F HN -0.151 nan 8.300 nan 0.000 0.537 330 L N 1.792 123.054 121.223 0.065 0.000 2.013 330 L HA -0.142 4.201 4.340 0.005 0.000 0.212 330 L C -0.678 175.900 176.870 -0.487 0.000 1.073 330 L CA 2.553 57.322 54.840 -0.119 0.000 0.753 330 L CB -1.655 40.412 42.059 0.014 0.000 0.890 330 L HN 0.048 nan 8.230 nan 0.000 0.432 331 P HA -0.194 nan 4.420 nan 0.000 0.216 331 P C 1.652 178.666 177.300 -0.476 0.000 1.153 331 P CA 1.338 63.693 63.100 -1.242 0.000 0.848 331 P CB -0.068 30.800 31.700 -1.388 0.000 0.787 332 Q N 0.347 119.951 119.800 -0.327 0.000 2.050 332 Q HA -0.209 4.134 4.340 0.005 0.000 0.202 332 Q C 1.891 177.827 176.000 -0.108 0.000 0.980 332 Q CA 1.759 57.470 55.803 -0.154 0.000 0.840 332 Q CB -0.254 28.449 28.738 -0.058 0.000 0.898 332 Q HN 0.166 nan 8.270 nan 0.000 0.424 333 K N -0.492 119.863 120.400 -0.074 0.000 2.097 333 K HA -0.116 4.207 4.320 0.005 0.000 0.206 333 K C 2.020 178.513 176.600 -0.179 0.000 1.049 333 K CA 1.436 57.673 56.287 -0.082 0.000 0.933 333 K CB 0.037 32.530 32.500 -0.012 0.000 0.717 333 K HN 0.092 nan 8.250 nan 0.000 0.442 334 V N 1.450 121.295 119.914 -0.115 0.000 2.453 334 V HA -0.202 3.921 4.120 0.005 0.000 0.247 334 V C 2.289 178.391 176.094 0.014 0.000 1.048 334 V CA 1.663 63.967 62.300 0.008 0.000 1.049 334 V CB -0.342 31.604 31.823 0.204 0.000 0.672 334 V HN 0.370 nan 8.190 nan 0.000 0.457 335 E N 0.148 120.299 120.200 -0.082 0.000 2.077 335 E HA -0.262 4.091 4.350 0.005 0.000 0.193 335 E C 2.105 178.514 176.600 -0.320 0.000 0.989 335 E CA 1.337 57.432 56.400 -0.508 0.000 0.800 335 E CB -0.031 29.224 29.700 -0.741 0.000 0.746 335 E HN 0.665 nan 8.360 nan 0.000 0.452 336 Q N -1.119 118.538 119.800 -0.238 0.000 2.444 336 Q HA 0.086 4.429 4.340 0.005 0.000 0.206 336 Q C 0.938 176.801 176.000 -0.228 0.000 0.948 336 Q CA 0.400 56.088 55.803 -0.191 0.000 0.946 336 Q CB 0.763 29.422 28.738 -0.133 0.000 1.027 336 Q HN 0.502 nan 8.270 nan 0.000 0.513 337 G N 1.831 110.402 108.800 -0.381 0.000 2.148 337 G HA2 -0.331 3.632 3.960 0.005 0.000 0.254 337 G HA3 -0.331 3.632 3.960 0.005 0.000 0.254 337 G C 0.246 174.727 174.900 -0.698 0.000 0.981 337 G CA -0.032 44.687 45.100 -0.635 0.000 0.670 337 G HN 0.307 nan 8.290 nan 0.000 0.528 338 R N 0.185 120.403 120.500 -0.470 0.000 4.792 338 R HA 0.323 4.666 4.340 0.005 0.000 0.205 338 R C 1.190 177.381 176.300 -0.181 0.000 1.875 338 R CA -0.239 55.720 56.100 -0.235 0.000 1.588 338 R CB -0.429 29.806 30.300 -0.108 0.000 1.401 338 R HN 0.599 nan 8.270 nan 0.000 0.834 339 Y N 0.779 121.118 120.300 0.065 0.000 2.207 339 Y HA -0.278 4.275 4.550 0.005 0.000 0.287 339 Y C 2.193 178.132 175.900 0.064 0.000 1.156 339 Y CA 1.214 59.355 58.100 0.069 0.000 1.182 339 Y CB -0.048 38.461 38.460 0.082 0.000 0.979 339 Y HN 0.401 nan 8.280 nan 0.000 0.521 340 D N -0.888 119.622 120.400 0.184 0.000 2.371 340 D HA -0.125 4.518 4.640 0.005 0.000 0.221 340 D C 0.660 177.035 176.300 0.124 0.000 0.986 340 D CA 0.851 54.929 54.000 0.130 0.000 0.899 340 D CB -0.385 40.467 40.800 0.087 0.000 0.902 340 D HN 0.332 nan 8.370 nan 0.000 0.530 341 D N 0.250 120.724 120.400 0.123 0.000 2.339 341 D HA 0.145 4.788 4.640 0.005 0.000 0.217 341 D C 0.682 177.128 176.300 0.243 0.000 1.050 341 D CA -0.205 53.894 54.000 0.166 0.000 0.856 341 D CB 0.645 41.506 40.800 0.102 0.000 0.922 341 D HN 0.343 nan 8.370 nan 0.000 0.518 342 I N 1.567 122.248 120.570 0.186 0.000 2.517 342 I HA 0.001 4.174 4.170 0.005 0.000 0.285 342 I C 0.980 177.155 176.117 0.097 0.000 1.106 342 I CA 0.008 61.391 61.300 0.138 0.000 1.402 342 I CB 0.515 38.589 38.000 0.124 0.000 1.399 342 I HN -0.402 nan 8.210 nan 0.000 0.535 343 R N 6.462 126.924 120.500 -0.063 0.000 2.308 343 R HA 0.328 4.671 4.340 0.005 0.000 0.325 343 R C -0.980 175.229 176.300 -0.152 0.000 1.161 343 R CA -0.496 55.361 56.100 -0.405 0.000 1.022 343 R CB 0.439 30.378 30.300 -0.602 0.000 1.091 343 R HN 0.445 nan 8.270 nan 0.000 0.497 344 V N 5.080 124.946 119.914 -0.081 0.000 2.508 344 V HA -0.022 4.102 4.120 0.005 0.000 0.281 344 V C 0.873 177.022 176.094 0.092 0.000 1.041 344 V CA -0.742 61.566 62.300 0.012 0.000 1.016 344 V CB 0.806 32.578 31.823 -0.086 0.000 0.984 344 V HN 0.840 nan 8.190 nan 0.000 0.478 345 C N 6.985 126.350 119.300 0.108 0.000 2.634 345 C HA 0.187 4.650 4.460 0.005 0.000 0.418 345 C C 1.768 176.855 174.990 0.161 0.000 1.373 345 C CA -0.147 58.929 59.018 0.097 0.000 1.756 345 C CB -1.260 26.530 27.740 0.084 0.000 2.589 345 C HN 0.932 nan 8.230 nan 0.000 0.602 346 I N 3.753 124.362 120.570 0.065 0.000 3.812 346 I HA 0.318 4.491 4.170 0.005 0.000 0.320 346 I C 1.412 177.517 176.117 -0.021 0.000 1.276 346 I CA 0.555 61.860 61.300 0.008 0.000 1.164 346 I CB -0.891 37.003 38.000 -0.177 0.000 1.009 346 I HN 0.927 nan 8.210 nan 0.000 0.431 347 G N 2.408 111.211 108.800 0.006 0.000 2.305 347 G HA2 -0.350 3.614 3.960 0.005 0.000 0.287 347 G HA3 -0.350 3.614 3.960 0.005 0.000 0.287 347 G C 0.828 175.754 174.900 0.043 0.000 1.036 347 G CA 0.487 45.607 45.100 0.032 0.000 0.887 347 G HN 0.846 nan 8.290 nan 0.000 0.505 348 C N -2.190 117.056 119.300 -0.091 0.000 2.495 348 C HA 0.278 4.741 4.460 0.005 0.000 0.275 348 C C 1.654 176.681 174.990 0.063 0.000 1.392 348 C CA 0.367 59.325 59.018 -0.101 0.000 1.766 348 C CB -0.554 26.836 27.740 -0.583 0.000 1.933 348 C HN 0.788 nan 8.230 nan 0.000 0.519 349 N N 0.049 118.765 118.700 0.026 0.000 2.741 349 N HA -0.144 4.600 4.740 0.005 0.000 0.251 349 N C 0.566 176.132 175.510 0.094 0.000 1.112 349 N CA 1.025 54.102 53.050 0.044 0.000 0.750 349 N CB -1.801 36.706 38.487 0.034 0.000 1.119 349 N HN 0.544 nan 8.380 nan 0.000 0.561 350 V N -0.306 119.666 119.914 0.097 0.000 2.626 350 V HA -0.256 3.867 4.120 0.005 0.000 0.252 350 V C 2.486 178.649 176.094 0.115 0.000 1.067 350 V CA 1.850 64.242 62.300 0.153 0.000 1.081 350 V CB -0.647 31.250 31.823 0.124 0.000 0.686 350 V HN 0.772 nan 8.190 nan 0.000 0.468 351 C N -0.262 119.080 119.300 0.071 0.000 2.432 351 C HA -0.108 4.355 4.460 0.005 0.000 0.277 351 C C 2.419 177.478 174.990 0.115 0.000 1.249 351 C CA 0.470 59.530 59.018 0.070 0.000 1.725 351 C CB -1.401 26.360 27.740 0.035 0.000 2.028 351 C HN 0.491 nan 8.230 nan 0.000 0.477 352 I N 3.083 123.722 120.570 0.116 0.000 2.226 352 I HA -0.195 3.978 4.170 0.005 0.000 0.245 352 I C 2.996 179.262 176.117 0.248 0.000 1.100 352 I CA 2.037 63.456 61.300 0.198 0.000 1.374 352 I CB -0.445 37.593 38.000 0.064 0.000 1.057 352 I HN 0.591 nan 8.210 nan 0.000 0.413 353 S N 1.016 116.808 115.700 0.153 0.000 2.402 353 S HA -0.220 4.253 4.470 0.005 0.000 0.233 353 S C 2.187 176.789 174.600 0.003 0.000 1.030 353 S CA 0.880 59.130 58.200 0.084 0.000 1.003 353 S CB -0.330 62.868 63.200 -0.002 0.000 0.813 353 S HN 0.311 nan 8.310 nan 0.000 0.477 354 R N 0.070 120.610 120.500 0.067 0.000 2.075 354 R HA -0.006 4.337 4.340 0.005 0.000 0.232 354 R C 1.846 178.170 176.300 0.040 0.000 1.126 354 R CA 1.391 57.505 56.100 0.023 0.000 0.963 354 R CB -1.343 28.992 30.300 0.059 0.000 0.858 354 R HN 0.742 nan 8.270 nan 0.000 0.435 355 W N 2.631 123.925 121.300 -0.011 0.000 2.379 355 W HA -0.119 4.544 4.660 0.004 0.000 0.307 355 W C 1.831 178.346 176.519 -0.008 0.000 1.200 355 W CA 1.175 58.516 57.345 -0.008 0.000 1.297 355 W CB -0.076 29.405 29.460 0.035 0.000 1.140 355 W HN 0.024 nan 8.180 nan 0.000 0.507 356 E N 0.469 120.685 120.200 0.026 0.000 2.118 356 E HA -0.239 4.114 4.350 0.005 0.000 0.195 356 E C 2.170 178.638 176.600 -0.220 0.000 0.992 356 E CA 1.946 58.292 56.400 -0.089 0.000 0.804 356 E CB -0.757 29.144 29.700 0.335 0.000 0.741 356 E HN 0.459 nan 8.360 nan 0.000 0.458 357 I N 0.208 120.559 120.570 -0.366 0.000 2.361 357 I HA -0.154 4.019 4.170 0.005 0.000 0.251 357 I C 0.949 176.891 176.117 -0.291 0.000 1.133 357 I CA 0.962 61.949 61.300 -0.522 0.000 1.413 357 I CB -0.277 37.350 38.000 -0.622 0.000 1.073 357 I HN 0.128 nan 8.210 nan 0.000 0.424 358 G N 0.254 108.813 108.800 -0.402 0.000 3.081 358 G HA2 0.151 4.114 3.960 0.005 0.000 0.603 358 G HA3 0.151 4.114 3.960 0.005 0.000 0.603 358 G C 0.454 175.210 174.900 -0.240 0.000 1.106 358 G CA -0.254 44.536 45.100 -0.517 0.000 1.001 358 G HN 0.767 nan 8.290 nan 0.000 0.445 359 G N 2.374 111.059 108.800 -0.191 0.000 2.493 359 G HA2 -0.051 3.912 3.960 0.005 0.000 0.206 359 G HA3 -0.051 3.912 3.960 0.005 0.000 0.206 359 G C -0.587 174.285 174.900 -0.047 0.000 1.109 359 G CA 0.661 45.708 45.100 -0.090 0.000 0.689 359 G HN 1.655 nan 8.290 nan 0.000 0.516 360 P HA 0.382 nan 4.420 nan 0.000 0.272 360 P C -2.566 174.741 177.300 0.012 0.000 1.223 360 P CA -0.738 62.343 63.100 -0.031 0.000 0.784 360 P CB 0.766 32.433 31.700 -0.055 0.000 0.923 361 P HA 0.137 nan 4.420 nan 0.000 0.274 361 P C 0.143 177.488 177.300 0.074 0.000 1.246 361 P CA -0.353 62.816 63.100 0.113 0.000 0.795 361 P CB 0.594 32.310 31.700 0.027 0.000 1.006 362 M N 2.775 122.472 119.600 0.162 0.000 2.243 362 M HA 0.316 4.800 4.480 0.005 0.000 0.341 362 M C -0.304 176.003 176.300 0.011 0.000 1.130 362 M CA 0.121 55.480 55.300 0.098 0.000 1.162 362 M CB -0.100 32.575 32.600 0.125 0.000 1.497 362 M HN 0.336 nan 8.290 nan 0.000 0.456 363 I N 1.996 122.568 120.570 0.003 0.000 2.969 363 I HA 0.686 4.859 4.170 0.005 0.000 0.307 363 I C -1.727 174.399 176.117 0.014 0.000 1.149 363 I CA -0.961 60.324 61.300 -0.026 0.000 1.008 363 I CB 2.074 40.037 38.000 -0.062 0.000 1.232 363 I HN 0.820 nan 8.210 nan 0.000 0.435 364 C N 3.007 122.321 119.300 0.024 0.000 2.482 364 C HA 0.500 4.964 4.460 0.005 0.000 0.317 364 C C 1.471 176.488 174.990 0.044 0.000 1.197 364 C CA 0.065 59.102 59.018 0.031 0.000 1.432 364 C CB 1.502 29.265 27.740 0.039 0.000 2.062 364 C HN 1.004 nan 8.230 nan 0.000 0.471 365 T N 2.297 116.864 114.554 0.023 0.000 2.788 365 T HA -0.142 4.211 4.350 0.005 0.000 0.268 365 T C 1.686 176.475 174.700 0.149 0.000 1.044 365 T CA 1.604 63.733 62.100 0.048 0.000 1.139 365 T CB -0.037 68.784 68.868 -0.079 0.000 0.867 365 T HN 0.765 nan 8.240 nan 0.000 0.454 366 Q N 0.619 120.457 119.800 0.064 0.000 2.134 366 Q HA 0.128 4.471 4.340 0.005 0.000 0.195 366 Q C 1.010 176.984 176.000 -0.043 0.000 0.958 366 Q CA 0.612 56.400 55.803 -0.025 0.000 0.840 366 Q CB -0.206 28.476 28.738 -0.093 0.000 0.918 366 Q HN 0.331 nan 8.270 nan 0.000 0.467 367 N N 0.598 119.296 118.700 -0.005 0.000 2.589 367 N HA 0.224 4.968 4.740 0.005 0.000 0.232 367 N C -0.123 175.406 175.510 0.031 0.000 1.015 367 N CA 0.013 53.068 53.050 0.008 0.000 0.931 367 N CB 1.082 39.584 38.487 0.026 0.000 1.150 367 N HN 0.044 nan 8.380 nan 0.000 0.512 368 A N 2.142 124.962 122.820 0.000 0.000 2.248 368 A HA -0.077 4.247 4.320 0.005 0.000 0.210 368 A C 1.711 179.335 177.584 0.068 0.000 1.174 368 A CA 1.528 53.590 52.037 0.042 0.000 0.750 368 A CB -0.589 18.407 19.000 -0.007 0.000 0.780 368 A HN 0.709 nan 8.150 nan 0.000 0.478 369 T N -3.251 111.308 114.554 0.009 0.000 3.065 369 T HA 0.469 4.822 4.350 0.005 0.000 0.252 369 T C 0.879 175.640 174.700 0.101 0.000 1.099 369 T CA 0.454 62.644 62.100 0.150 0.000 1.063 369 T CB -0.378 68.572 68.868 0.136 0.000 0.948 369 T HN 0.619 nan 8.240 nan 0.000 0.506 370 A N 0.873 123.747 122.820 0.091 0.000 2.537 370 A HA 0.521 4.844 4.320 0.005 0.000 0.260 370 A C 1.718 179.285 177.584 -0.029 0.000 1.082 370 A CA 0.293 52.402 52.037 0.119 0.000 0.765 370 A CB -1.285 17.791 19.000 0.127 0.000 1.019 370 A HN 1.476 nan 8.150 nan 0.000 0.507 371 G N 1.955 110.682 108.800 -0.121 0.000 2.217 371 G HA2 -0.205 3.759 3.960 0.005 0.000 0.246 371 G HA3 -0.205 3.759 3.960 0.005 0.000 0.246 371 G C 0.463 174.971 174.900 -0.653 0.000 0.990 371 G CA 0.490 45.180 45.100 -0.683 0.000 0.627 371 G HN 0.705 nan 8.290 nan 0.000 0.522 372 E N 0.350 120.356 120.200 -0.322 0.000 2.489 372 E HA 0.196 4.549 4.350 0.005 0.000 0.204 372 E C 1.840 178.305 176.600 -0.225 0.000 1.006 372 E CA 0.715 56.901 56.400 -0.357 0.000 0.936 372 E CB 0.095 29.586 29.700 -0.348 0.000 1.002 372 E HN 0.621 nan 8.360 nan 0.000 0.488 373 E N 0.677 120.843 120.200 -0.057 0.000 2.049 373 E HA -0.218 4.135 4.350 0.005 0.000 0.198 373 E C 1.779 178.412 176.600 0.055 0.000 1.007 373 E CA 1.480 57.911 56.400 0.052 0.000 0.809 373 E CB -0.388 29.377 29.700 0.108 0.000 0.749 373 E HN 0.346 nan 8.360 nan 0.000 0.450 374 Y N 1.455 121.723 120.300 -0.054 0.000 2.153 374 Y HA -0.096 4.457 4.550 0.005 0.000 0.289 374 Y C 2.371 178.230 175.900 -0.068 0.000 1.119 374 Y CA 1.852 59.938 58.100 -0.023 0.000 1.116 374 Y CB 0.008 38.484 38.460 0.027 0.000 1.004 374 Y HN -0.093 nan 8.280 nan 0.000 0.501 375 R N 0.113 120.530 120.500 -0.138 0.000 2.148 375 R HA -0.038 4.305 4.340 0.005 0.000 0.227 375 R C 1.595 177.748 176.300 -0.245 0.000 1.103 375 R CA 1.727 57.703 56.100 -0.206 0.000 0.983 375 R CB -0.359 29.858 30.300 -0.139 0.000 0.874 375 R HN 0.301 nan 8.270 nan 0.000 0.451 376 R N -0.408 119.871 120.500 -0.369 0.000 2.419 376 R HA 0.178 4.522 4.340 0.005 0.000 0.235 376 R C 0.451 176.591 176.300 -0.267 0.000 0.899 376 R CA 0.406 56.221 56.100 -0.476 0.000 1.048 376 R CB 1.256 30.839 30.300 -1.195 0.000 1.182 376 R HN 0.463 nan 8.270 nan 0.000 0.544 377 G N 1.387 110.100 108.800 -0.146 0.000 2.176 377 G HA2 -0.200 3.763 3.960 0.005 0.000 0.252 377 G HA3 -0.200 3.763 3.960 0.005 0.000 0.252 377 G C -0.723 174.351 174.900 0.289 0.000 1.024 377 G CA -0.124 45.009 45.100 0.054 0.000 0.755 377 G HN 0.174 nan 8.290 nan 0.000 0.507 378 W N 1.120 122.436 121.300 0.027 0.000 2.342 378 W HA 0.532 5.195 4.660 0.005 0.000 0.310 378 W C 0.582 177.103 176.519 0.004 0.000 1.128 378 W CA -1.698 55.669 57.345 0.035 0.000 1.322 378 W CB 0.129 29.628 29.460 0.065 0.000 1.251 378 W HN 0.227 nan 8.180 nan 0.000 0.439 379 H N 6.316 125.433 119.070 0.078 0.000 2.548 379 H HA 0.128 4.687 4.556 0.005 0.000 0.331 379 H C -1.289 173.926 175.328 -0.190 0.000 1.093 379 H CA -1.600 54.420 56.048 -0.047 0.000 1.367 379 H CB 1.945 31.641 29.762 -0.109 0.000 1.455 379 H HN 0.114 nan 8.280 nan 0.000 0.519 380 P HA -0.065 nan 4.420 nan 0.000 0.223 380 P C 0.300 177.467 177.300 -0.222 0.000 1.151 380 P CA 0.989 63.995 63.100 -0.158 0.000 0.787 380 P CB 0.692 32.325 31.700 -0.113 0.000 0.788 381 E N -0.519 119.572 120.200 -0.182 0.000 2.630 381 E HA 0.195 4.548 4.350 0.005 0.000 0.218 381 E C 0.146 176.540 176.600 -0.344 0.000 0.977 381 E CA 0.069 56.298 56.400 -0.286 0.000 1.038 381 E CB 0.902 30.251 29.700 -0.586 0.000 1.051 381 E HN 0.361 nan 8.360 nan 0.000 0.487 382 K N 0.646 120.736 120.400 -0.518 0.000 2.426 382 K HA 0.486 4.809 4.320 0.005 0.000 0.254 382 K C -1.021 175.240 176.600 -0.566 0.000 0.936 382 K CA -0.436 55.589 56.287 -0.435 0.000 0.801 382 K CB 1.486 33.713 32.500 -0.455 0.000 1.139 382 K HN -0.204 nan 8.250 nan 0.000 0.424 383 F N 0.926 120.850 119.950 -0.044 0.000 2.551 383 F HA 0.436 4.966 4.527 0.005 0.000 0.316 383 F C 0.405 176.184 175.800 -0.036 0.000 1.089 383 F CA -1.093 56.880 58.000 -0.045 0.000 0.915 383 F CB 1.574 40.534 39.000 -0.065 0.000 1.186 383 F HN 0.286 nan 8.300 nan 0.000 0.456 384 R N 2.417 123.006 120.500 0.149 0.000 2.401 384 R HA 0.148 4.491 4.340 0.005 0.000 0.299 384 R C -0.546 175.801 176.300 0.079 0.000 1.064 384 R CA -0.421 55.731 56.100 0.087 0.000 1.000 384 R CB 0.449 30.794 30.300 0.075 0.000 0.973 384 R HN 0.527 nan 8.270 nan 0.000 0.438 385 Q N 2.226 122.045 119.800 0.031 0.000 2.288 385 Q HA 0.070 4.413 4.340 0.005 0.000 0.254 385 Q C -0.045 175.907 176.000 -0.080 0.000 0.932 385 Q CA 0.066 55.853 55.803 -0.027 0.000 0.902 385 Q CB 1.722 30.438 28.738 -0.036 0.000 1.203 385 Q HN 0.639 nan 8.270 nan 0.000 0.415 386 T N 1.069 115.493 114.554 -0.216 0.000 2.898 386 T HA 0.109 4.462 4.350 0.005 0.000 0.301 386 T C 1.027 175.598 174.700 -0.215 0.000 1.049 386 T CA -0.145 61.760 62.100 -0.324 0.000 1.095 386 T CB 0.372 68.668 68.868 -0.954 0.000 0.976 386 T HN 0.620 nan 8.240 nan 0.000 0.539 387 K N 1.917 122.232 120.400 -0.141 0.000 2.355 387 K HA 0.171 4.494 4.320 0.005 0.000 0.198 387 K C 0.438 176.988 176.600 -0.084 0.000 1.039 387 K CA -0.382 55.852 56.287 -0.089 0.000 1.075 387 K CB 0.064 32.539 32.500 -0.043 0.000 0.870 387 K HN 0.600 nan 8.250 nan 0.000 0.540 388 N N 0.704 119.339 118.700 -0.108 0.000 2.671 388 N HA 0.172 4.915 4.740 0.005 0.000 0.303 388 N C -0.140 175.312 175.510 -0.096 0.000 1.277 388 N CA -0.950 52.061 53.050 -0.064 0.000 0.933 388 N CB 0.592 39.077 38.487 -0.003 0.000 1.190 388 N HN -0.244 nan 8.380 nan 0.000 0.600 389 K N -0.652 119.728 120.400 -0.035 0.000 2.593 389 K HA 0.266 4.589 4.320 0.005 0.000 0.208 389 K C -0.912 175.711 176.600 0.038 0.000 1.051 389 K CA -0.401 55.873 56.287 -0.022 0.000 1.111 389 K CB -0.579 31.916 32.500 -0.008 0.000 0.849 389 K HN 0.538 nan 8.250 nan 0.000 0.479 390 D N 2.198 122.653 120.400 0.092 0.000 2.472 390 D HA -0.018 4.625 4.640 0.005 0.000 0.237 390 D C 0.414 176.838 176.300 0.206 0.000 1.141 390 D CA 0.524 54.624 54.000 0.167 0.000 0.875 390 D CB 0.714 41.661 40.800 0.244 0.000 1.192 390 D HN 0.161 nan 8.370 nan 0.000 0.450 391 S N 0.140 115.922 115.700 0.138 0.000 2.549 391 S HA 0.745 5.218 4.470 0.005 0.000 0.297 391 S C -0.556 174.100 174.600 0.092 0.000 1.115 391 S CA -0.857 57.424 58.200 0.136 0.000 1.059 391 S CB 1.564 64.826 63.200 0.104 0.000 1.046 391 S HN 0.153 nan 8.310 nan 0.000 0.506 392 V N 2.681 122.646 119.914 0.086 0.000 2.638 392 V HA 0.533 4.656 4.120 0.005 0.000 0.306 392 V C -0.860 175.235 176.094 0.002 0.000 1.052 392 V CA -0.796 61.510 62.300 0.009 0.000 0.885 392 V CB 1.519 33.311 31.823 -0.051 0.000 0.999 392 V HN 0.925 nan 8.190 nan 0.000 0.424 393 L N 6.249 127.424 121.223 -0.080 0.000 2.282 393 L HA 0.678 5.021 4.340 0.005 0.000 0.288 393 L C -0.684 176.102 176.870 -0.140 0.000 1.033 393 L CA 0.246 54.984 54.840 -0.170 0.000 0.807 393 L CB 0.949 42.789 42.059 -0.365 0.000 1.209 393 L HN 0.569 nan 8.230 nan 0.000 0.423 394 I N 6.030 126.533 120.570 -0.112 0.000 2.382 394 I HA 0.324 4.497 4.170 0.005 0.000 0.286 394 I C -0.765 175.301 176.117 -0.084 0.000 1.002 394 I CA -0.853 60.398 61.300 -0.082 0.000 1.135 394 I CB 1.842 39.808 38.000 -0.057 0.000 1.288 394 I HN 0.257 nan 8.210 nan 0.000 0.448 395 V N 5.614 125.484 119.914 -0.073 0.000 2.334 395 V HA 0.771 4.894 4.120 0.005 0.000 0.267 395 V C 0.543 176.624 176.094 -0.021 0.000 1.040 395 V CA -0.402 61.865 62.300 -0.055 0.000 0.866 395 V CB 0.358 32.152 31.823 -0.048 0.000 1.019 395 V HN 1.054 nan 8.190 nan 0.000 0.468 396 G N 3.966 112.759 108.800 -0.012 0.000 3.187 396 G HA2 0.346 4.309 3.960 0.005 0.000 0.682 396 G HA3 0.346 4.309 3.960 0.005 0.000 0.682 396 G C -0.257 174.649 174.900 0.011 0.000 1.266 396 G CA -0.280 44.825 45.100 0.008 0.000 0.902 396 G HN 1.360 nan 8.290 nan 0.000 0.589 397 A N 1.503 124.336 122.820 0.022 0.000 2.701 397 A HA 0.789 5.112 4.320 0.005 0.000 0.297 397 A C 1.362 178.973 177.584 0.046 0.000 1.197 397 A CA 1.114 53.166 52.037 0.025 0.000 0.963 397 A CB -0.144 18.866 19.000 0.016 0.000 1.175 397 A HN 2.074 nan 8.150 nan 0.000 0.531 398 G N 0.056 108.891 108.800 0.060 0.000 2.494 398 G HA2 0.405 4.368 3.960 0.005 0.000 0.270 398 G HA3 0.405 4.368 3.960 0.005 0.000 0.270 398 G C -1.274 173.684 174.900 0.098 0.000 1.423 398 G CA -0.926 44.219 45.100 0.076 0.000 1.055 398 G HN 0.098 nan 8.290 nan 0.000 0.536 399 P HA -0.170 nan 4.420 nan 0.000 0.215 399 P C 2.390 179.801 177.300 0.186 0.000 1.157 399 P CA 2.633 65.842 63.100 0.182 0.000 0.874 399 P CB 0.011 31.736 31.700 0.042 0.000 0.790 400 S N -1.184 114.592 115.700 0.126 0.000 2.345 400 S HA -0.070 4.403 4.470 0.005 0.000 0.219 400 S C 2.367 177.000 174.600 0.055 0.000 1.031 400 S CA 1.334 59.590 58.200 0.092 0.000 0.984 400 S CB -2.039 61.200 63.200 0.065 0.000 0.874 400 S HN 0.194 nan 8.310 nan 0.000 0.451 401 G N 2.183 111.009 108.800 0.042 0.000 2.446 401 G HA2 -0.240 3.723 3.960 0.005 0.000 0.217 401 G HA3 -0.240 3.723 3.960 0.005 0.000 0.217 401 G C 1.822 176.727 174.900 0.008 0.000 1.168 401 G CA 1.710 46.819 45.100 0.014 0.000 0.771 401 G HN 0.800 nan 8.290 nan 0.000 0.551 402 S N 0.599 116.319 115.700 0.033 0.000 2.402 402 S HA -0.080 4.393 4.470 0.005 0.000 0.229 402 S C 2.047 176.652 174.600 0.009 0.000 1.021 402 S CA 1.773 59.985 58.200 0.020 0.000 0.974 402 S CB -0.133 63.095 63.200 0.046 0.000 0.800 402 S HN 0.421 nan 8.310 nan 0.000 0.484 403 E N 2.316 122.543 120.200 0.046 0.000 2.072 403 E HA 0.124 4.478 4.350 0.005 0.000 0.190 403 E C 2.058 178.632 176.600 -0.043 0.000 0.982 403 E CA 1.210 57.636 56.400 0.043 0.000 0.803 403 E CB -0.819 28.954 29.700 0.122 0.000 0.755 403 E HN 0.556 nan 8.360 nan 0.000 0.453 404 A N 0.993 123.778 122.820 -0.058 0.000 1.902 404 A HA -0.079 4.244 4.320 0.005 0.000 0.217 404 A C 2.460 179.959 177.584 -0.142 0.000 1.181 404 A CA 2.148 54.111 52.037 -0.124 0.000 0.623 404 A CB -1.134 17.809 19.000 -0.095 0.000 0.818 404 A HN 0.396 nan 8.150 nan 0.000 0.443 405 A N -0.332 122.427 122.820 -0.101 0.000 1.865 405 A HA -0.210 4.113 4.320 0.005 0.000 0.217 405 A C 2.284 179.785 177.584 -0.137 0.000 1.191 405 A CA 1.885 53.860 52.037 -0.103 0.000 0.623 405 A CB -0.585 18.370 19.000 -0.074 0.000 0.826 405 A HN 0.552 nan 8.150 nan 0.000 0.444 406 R N -0.449 119.967 120.500 -0.140 0.000 2.083 406 R HA -0.125 4.219 4.340 0.005 0.000 0.237 406 R C 1.994 178.119 176.300 -0.291 0.000 1.137 406 R CA 1.991 57.979 56.100 -0.185 0.000 0.951 406 R CB -0.445 29.770 30.300 -0.141 0.000 0.851 406 R HN 0.335 nan 8.270 nan 0.000 0.434 407 V N 1.321 121.049 119.914 -0.312 0.000 2.307 407 V HA -0.235 3.888 4.120 0.005 0.000 0.245 407 V C 2.418 178.271 176.094 -0.402 0.000 1.045 407 V CA 1.610 63.623 62.300 -0.478 0.000 1.024 407 V CB -0.404 31.114 31.823 -0.507 0.000 0.651 407 V HN 0.330 nan 8.190 nan 0.000 0.449 408 L N -1.062 120.001 121.223 -0.266 0.000 2.046 408 L HA -0.235 4.108 4.340 0.005 0.000 0.208 408 L C 2.583 179.428 176.870 -0.041 0.000 1.077 408 L CA 1.800 56.551 54.840 -0.148 0.000 0.747 408 L CB -0.450 41.492 42.059 -0.195 0.000 0.896 408 L HN 0.312 nan 8.230 nan 0.000 0.432 409 M N -1.075 118.449 119.600 -0.126 0.000 2.117 409 M HA -0.186 4.297 4.480 0.005 0.000 0.262 409 M C 2.174 178.367 176.300 -0.178 0.000 1.065 409 M CA 1.455 56.686 55.300 -0.115 0.000 1.114 409 M CB -0.409 32.112 32.600 -0.131 0.000 1.361 409 M HN 0.180 nan 8.290 nan 0.000 0.408 410 E N 0.074 120.068 120.200 -0.342 0.000 2.204 410 E HA -0.093 4.260 4.350 0.005 0.000 0.195 410 E C 1.834 178.244 176.600 -0.316 0.000 0.990 410 E CA 1.030 57.142 56.400 -0.479 0.000 0.821 410 E CB -0.148 28.853 29.700 -1.165 0.000 0.750 410 E HN 0.385 nan 8.360 nan 0.000 0.477 411 S N -0.956 114.617 115.700 -0.211 0.000 2.603 411 S HA 0.159 4.632 4.470 0.005 0.000 0.220 411 S C 1.345 175.905 174.600 -0.067 0.000 0.967 411 S CA 0.609 58.792 58.200 -0.027 0.000 0.920 411 S CB 0.598 63.880 63.200 0.136 0.000 0.773 411 S HN 0.471 nan 8.310 nan 0.000 0.529 412 G N 0.262 109.011 108.800 -0.085 0.000 2.175 412 G HA2 -0.259 3.704 3.960 0.005 0.000 0.244 412 G HA3 -0.259 3.704 3.960 0.005 0.000 0.244 412 G C -0.009 174.782 174.900 -0.181 0.000 0.982 412 G CA -0.301 44.711 45.100 -0.147 0.000 0.641 412 G HN 0.499 nan 8.290 nan 0.000 0.527 413 Y N 0.900 121.160 120.300 -0.068 0.000 2.281 413 Y HA 0.526 5.080 4.550 0.005 0.000 0.337 413 Y C 1.385 177.265 175.900 -0.032 0.000 1.304 413 Y CA 0.585 58.659 58.100 -0.042 0.000 1.465 413 Y CB 0.768 39.202 38.460 -0.044 0.000 1.350 413 Y HN 0.017 nan 8.280 nan 0.000 0.575 414 T N 2.734 117.396 114.554 0.179 0.000 2.744 414 T HA 0.478 4.831 4.350 0.005 0.000 0.291 414 T C -0.869 173.929 174.700 0.162 0.000 0.957 414 T CA -0.640 61.536 62.100 0.127 0.000 1.002 414 T CB 0.179 69.127 68.868 0.133 0.000 0.919 414 T HN 0.525 nan 8.240 nan 0.000 0.468 415 V N 2.209 122.184 119.914 0.101 0.000 2.823 415 V HA 0.607 4.730 4.120 0.005 0.000 0.312 415 V C -1.087 175.039 176.094 0.054 0.000 1.072 415 V CA -0.793 61.564 62.300 0.095 0.000 0.937 415 V CB 2.048 33.875 31.823 0.008 0.000 1.013 415 V HN 0.921 nan 8.190 nan 0.000 0.430 416 H N 4.767 123.830 119.070 -0.011 0.000 2.762 416 H HA 0.508 5.067 4.556 0.005 0.000 0.310 416 H C -1.211 174.071 175.328 -0.078 0.000 1.004 416 H CA -0.435 55.606 56.048 -0.012 0.000 1.267 416 H CB 2.025 31.810 29.762 0.038 0.000 1.437 416 H HN 0.685 nan 8.280 nan 0.000 0.498 417 L N 3.411 124.626 121.223 -0.013 0.000 2.296 417 L HA 0.388 4.731 4.340 0.005 0.000 0.286 417 L C -0.124 176.732 176.870 -0.024 0.000 1.023 417 L CA 0.006 54.827 54.840 -0.032 0.000 0.812 417 L CB 1.814 43.849 42.059 -0.039 0.000 1.223 417 L HN 0.497 nan 8.230 nan 0.000 0.421 418 T N 3.619 118.152 114.554 -0.035 0.000 2.906 418 T HA 0.620 4.973 4.350 0.005 0.000 0.295 418 T C -1.828 172.865 174.700 -0.013 0.000 1.061 418 T CA -0.436 61.652 62.100 -0.019 0.000 1.000 418 T CB 1.102 69.951 68.868 -0.032 0.000 1.103 418 T HN 0.790 nan 8.240 nan 0.000 0.486 419 D N 0.064 120.466 120.400 0.003 0.000 2.663 419 D HA 0.223 4.866 4.640 0.005 0.000 0.233 419 D C 1.074 177.385 176.300 0.018 0.000 1.240 419 D CA -0.130 53.877 54.000 0.011 0.000 0.774 419 D CB 2.120 42.929 40.800 0.016 0.000 1.443 419 D HN 0.616 nan 8.370 nan 0.000 0.441 420 T N -0.651 113.916 114.554 0.023 0.000 2.942 420 T HA 0.259 4.612 4.350 0.005 0.000 0.265 420 T C 1.154 175.870 174.700 0.026 0.000 1.062 420 T CA 0.704 62.820 62.100 0.026 0.000 1.139 420 T CB -0.029 68.856 68.868 0.028 0.000 0.883 420 T HN 0.468 nan 8.240 nan 0.000 0.468 421 A N 1.589 124.425 122.820 0.028 0.000 2.466 421 A HA 0.244 4.567 4.320 0.005 0.000 0.238 421 A C 1.226 178.825 177.584 0.025 0.000 1.074 421 A CA -0.289 51.766 52.037 0.029 0.000 0.774 421 A CB 0.190 19.210 19.000 0.034 0.000 1.015 421 A HN 0.522 nan 8.150 nan 0.000 0.498 422 E N 0.434 120.648 120.200 0.024 0.000 2.208 422 E HA -0.061 4.292 4.350 0.005 0.000 0.193 422 E C 0.041 176.653 176.600 0.020 0.000 0.988 422 E CA 0.906 57.319 56.400 0.021 0.000 0.828 422 E CB 0.061 29.773 29.700 0.020 0.000 0.763 422 E HN 0.591 nan 8.360 nan 0.000 0.478 423 K N 0.278 120.692 120.400 0.023 0.000 2.444 423 K HA 0.439 4.762 4.320 0.005 0.000 0.252 423 K C -0.507 176.109 176.600 0.027 0.000 0.993 423 K CA -0.786 55.515 56.287 0.024 0.000 0.847 423 K CB 2.266 34.782 32.500 0.028 0.000 1.340 423 K HN -0.144 nan 8.250 nan 0.000 0.446 424 I N 0.706 121.293 120.570 0.027 0.000 2.696 424 I HA 0.109 4.282 4.170 0.005 0.000 0.284 424 I C 1.133 177.277 176.117 0.045 0.000 1.129 424 I CA 1.139 62.458 61.300 0.033 0.000 1.410 424 I CB 0.888 38.904 38.000 0.027 0.000 1.399 424 I HN 1.059 nan 8.210 nan 0.000 0.579 425 G N 2.866 111.696 108.800 0.050 0.000 2.813 425 G HA2 0.012 3.975 3.960 0.005 0.000 0.194 425 G HA3 0.012 3.975 3.960 0.005 0.000 0.194 425 G C 0.665 175.568 174.900 0.005 0.000 1.010 425 G CA 0.033 45.158 45.100 0.042 0.000 0.771 425 G HN 1.297 nan 8.290 nan 0.000 0.485 426 G N 1.219 110.038 108.800 0.032 0.000 2.614 426 G HA2 -0.290 3.674 3.960 0.005 0.000 0.303 426 G HA3 -0.290 3.674 3.960 0.005 0.000 0.303 426 G C 1.058 175.992 174.900 0.056 0.000 1.270 426 G CA 1.864 46.999 45.100 0.058 0.000 0.988 426 G HN 1.939 nan 8.290 nan 0.000 0.551 427 H N 0.403 119.504 119.070 0.052 0.000 2.489 427 H HA 0.045 4.604 4.556 0.005 0.000 0.293 427 H C 2.611 177.988 175.328 0.082 0.000 1.066 427 H CA 1.712 57.803 56.048 0.071 0.000 1.305 427 H CB -0.205 29.606 29.762 0.081 0.000 1.386 427 H HN 0.497 nan 8.280 nan 0.000 0.551 428 L N 1.920 122.847 121.223 -0.493 0.000 2.265 428 L HA -0.119 4.224 4.340 0.005 0.000 0.215 428 L C 1.679 178.497 176.870 -0.087 0.000 1.117 428 L CA 1.087 55.733 54.840 -0.324 0.000 0.782 428 L CB -0.745 41.125 42.059 -0.314 0.000 0.914 428 L HN 0.170 nan 8.230 nan 0.000 0.441 429 N N -0.708 117.968 118.700 -0.039 0.000 2.244 429 N HA -0.162 4.581 4.740 0.005 0.000 0.183 429 N C 1.712 177.222 175.510 0.000 0.000 1.016 429 N CA 1.121 54.170 53.050 -0.002 0.000 0.866 429 N CB -0.043 38.453 38.487 0.016 0.000 0.980 429 N HN 0.591 nan 8.380 nan 0.000 0.430 430 Q N 0.209 120.021 119.800 0.021 0.000 2.062 430 Q HA 0.028 4.371 4.340 0.005 0.000 0.196 430 Q C 2.152 178.153 176.000 0.001 0.000 0.967 430 Q CA 0.689 56.507 55.803 0.025 0.000 0.832 430 Q CB 0.024 28.804 28.738 0.071 0.000 0.899 430 Q HN 0.074 nan 8.270 nan 0.000 0.442 431 V N 1.392 121.324 119.914 0.031 0.000 2.282 431 V HA -0.315 3.809 4.120 0.005 0.000 0.249 431 V C 2.203 178.189 176.094 -0.180 0.000 1.057 431 V CA 2.013 64.302 62.300 -0.018 0.000 1.032 431 V CB -0.890 30.979 31.823 0.078 0.000 0.645 431 V HN 0.414 nan 8.190 nan 0.000 0.447 432 A N -0.661 122.081 122.820 -0.131 0.000 2.216 432 A HA 0.102 4.425 4.320 0.005 0.000 0.214 432 A C 2.166 179.644 177.584 -0.177 0.000 1.160 432 A CA 1.496 53.428 52.037 -0.176 0.000 0.725 432 A CB -0.457 18.501 19.000 -0.069 0.000 0.784 432 A HN 0.599 nan 8.150 nan 0.000 0.472 433 A N -0.735 122.004 122.820 -0.135 0.000 2.178 433 A HA 0.428 4.751 4.320 0.005 0.000 0.211 433 A C 0.903 178.399 177.584 -0.147 0.000 1.157 433 A CA -0.213 51.756 52.037 -0.114 0.000 0.780 433 A CB -0.241 18.717 19.000 -0.069 0.000 0.828 433 A HN 0.430 nan 8.150 nan 0.000 0.476 434 L N 0.671 121.777 121.223 -0.195 0.000 2.467 434 L HA 0.169 4.512 4.340 0.005 0.000 0.270 434 L C -2.213 174.506 176.870 -0.251 0.000 1.205 434 L CA -1.767 52.946 54.840 -0.213 0.000 0.828 434 L CB 0.094 42.004 42.059 -0.248 0.000 1.101 434 L HN 0.039 nan 8.230 nan 0.000 0.479 435 P HA 0.016 nan 4.420 nan 0.000 0.263 435 P C 0.668 177.785 177.300 -0.304 0.000 1.195 435 P CA 0.848 63.819 63.100 -0.215 0.000 0.762 435 P CB 0.610 32.210 31.700 -0.166 0.000 0.799 436 G N 2.808 111.430 108.800 -0.297 0.000 2.184 436 G HA2 -0.277 3.686 3.960 0.005 0.000 0.264 436 G HA3 -0.277 3.686 3.960 0.005 0.000 0.264 436 G C 0.511 175.132 174.900 -0.464 0.000 0.975 436 G CA 0.016 44.894 45.100 -0.370 0.000 0.642 436 G HN 0.520 nan 8.290 nan 0.000 0.536 437 L N 1.245 122.147 121.223 -0.535 0.000 2.791 437 L HA 0.315 4.658 4.340 0.005 0.000 0.239 437 L C 2.533 179.106 176.870 -0.495 0.000 1.203 437 L CA 0.448 54.818 54.840 -0.783 0.000 1.002 437 L CB -0.220 41.145 42.059 -1.157 0.000 1.295 437 L HN 0.257 nan 8.230 nan 0.000 0.504 438 G N 0.474 109.087 108.800 -0.312 0.000 2.469 438 G HA2 -0.249 3.714 3.960 0.005 0.000 0.219 438 G HA3 -0.249 3.714 3.960 0.005 0.000 0.219 438 G C 1.276 176.032 174.900 -0.239 0.000 1.150 438 G CA 0.477 45.451 45.100 -0.210 0.000 0.763 438 G HN 0.457 nan 8.290 nan 0.000 0.561 439 E N -0.509 119.523 120.200 -0.279 0.000 2.472 439 E HA -0.085 4.268 4.350 0.005 0.000 0.200 439 E C 1.852 178.211 176.600 -0.402 0.000 1.046 439 E CA 0.168 56.214 56.400 -0.589 0.000 0.871 439 E CB -0.090 29.376 29.700 -0.390 0.000 0.806 439 E HN 0.639 nan 8.360 nan 0.000 0.533 440 W N 0.890 121.958 121.300 -0.386 0.000 2.699 440 W HA -0.071 4.592 4.660 0.005 0.000 0.249 440 W C 2.453 178.879 176.519 -0.154 0.000 1.280 440 W CA 0.988 58.187 57.345 -0.244 0.000 1.345 440 W CB -0.575 28.738 29.460 -0.245 0.000 1.128 440 W HN 0.063 nan 8.180 nan 0.000 0.642 441 S N -1.310 114.403 115.700 0.022 0.000 2.474 441 S HA -0.222 4.252 4.470 0.005 0.000 0.235 441 S C 1.590 176.326 174.600 0.226 0.000 0.997 441 S CA 0.812 59.065 58.200 0.089 0.000 0.949 441 S CB -0.986 62.248 63.200 0.058 0.000 0.766 441 S HN 0.211 nan 8.310 nan 0.000 0.517 442 Y N 1.878 122.266 120.300 0.147 0.000 2.315 442 Y HA -0.093 4.460 4.550 0.005 0.000 0.288 442 Y C 2.676 178.672 175.900 0.161 0.000 1.154 442 Y CA 0.531 58.712 58.100 0.135 0.000 1.229 442 Y CB -1.386 37.136 38.460 0.103 0.000 0.980 442 Y HN 0.521 nan 8.280 nan 0.000 0.540 443 H N 1.585 120.774 119.070 0.199 0.000 2.321 443 H HA -0.142 4.417 4.556 0.005 0.000 0.300 443 H C 2.005 177.439 175.328 0.177 0.000 1.087 443 H CA 2.129 58.262 56.048 0.141 0.000 1.319 443 H CB 0.379 30.168 29.762 0.044 0.000 1.379 443 H HN 0.369 nan 8.280 nan 0.000 0.501 444 R N 0.378 121.076 120.500 0.330 0.000 2.161 444 R HA 0.005 4.348 4.340 0.005 0.000 0.213 444 R C 1.625 178.028 176.300 0.171 0.000 1.055 444 R CA 1.289 57.527 56.100 0.229 0.000 0.996 444 R CB -0.326 30.072 30.300 0.163 0.000 0.901 444 R HN 0.160 nan 8.270 nan 0.000 0.456 445 D N 0.356 120.880 120.400 0.207 0.000 2.117 445 D HA -0.186 4.457 4.640 0.005 0.000 0.197 445 D C 1.591 177.983 176.300 0.152 0.000 0.987 445 D CA 1.294 55.397 54.000 0.173 0.000 0.829 445 D CB -0.399 40.532 40.800 0.218 0.000 0.961 445 D HN 0.336 nan 8.370 nan 0.000 0.460 446 Y N 1.485 121.819 120.300 0.056 0.000 2.145 446 Y HA -0.170 4.383 4.550 0.006 0.000 0.286 446 Y C 2.321 178.217 175.900 -0.005 0.000 1.145 446 Y CA 1.602 59.710 58.100 0.013 0.000 1.148 446 Y CB 0.053 38.507 38.460 -0.010 0.000 0.981 446 Y HN -0.198 nan 8.280 nan 0.000 0.507 447 R N 0.213 120.691 120.500 -0.036 0.000 2.115 447 R HA -0.158 4.185 4.340 0.005 0.000 0.230 447 R C 2.340 178.563 176.300 -0.128 0.000 1.111 447 R CA 1.545 57.557 56.100 -0.147 0.000 0.976 447 R CB -0.275 30.022 30.300 -0.004 0.000 0.870 447 R HN 0.538 nan 8.270 nan 0.000 0.445 448 E N -0.043 120.128 120.200 -0.049 0.000 2.031 448 E HA -0.166 4.187 4.350 0.005 0.000 0.193 448 E C 1.407 177.964 176.600 -0.072 0.000 0.994 448 E CA 1.767 58.145 56.400 -0.036 0.000 0.800 448 E CB 0.064 29.769 29.700 0.009 0.000 0.752 448 E HN 0.148 nan 8.360 nan 0.000 0.447 449 T N 1.157 115.664 114.554 -0.079 0.000 2.720 449 T HA -0.174 4.179 4.350 0.005 0.000 0.268 449 T C 1.831 176.442 174.700 -0.148 0.000 1.037 449 T CA 1.418 63.465 62.100 -0.087 0.000 1.144 449 T CB -0.150 68.684 68.868 -0.057 0.000 0.864 449 T HN 0.194 nan 8.240 nan 0.000 0.444 450 Q N 0.360 119.996 119.800 -0.273 0.000 2.046 450 Q HA 0.091 4.434 4.340 0.005 0.000 0.200 450 Q C 2.522 178.403 176.000 -0.199 0.000 0.975 450 Q CA 1.070 56.694 55.803 -0.298 0.000 0.836 450 Q CB -0.551 27.870 28.738 -0.529 0.000 0.896 450 Q HN 0.532 nan 8.270 nan 0.000 0.428 451 I N 0.691 121.155 120.570 -0.176 0.000 2.208 451 I HA -0.278 3.895 4.170 0.005 0.000 0.245 451 I C 2.186 178.244 176.117 -0.099 0.000 1.097 451 I CA 1.284 62.507 61.300 -0.128 0.000 1.363 451 I CB -0.424 37.515 38.000 -0.102 0.000 1.051 451 I HN 0.192 nan 8.210 nan 0.000 0.413 452 T N 1.143 115.646 114.554 -0.086 0.000 2.652 452 T HA -0.238 4.115 4.350 0.005 0.000 0.267 452 T C 1.830 176.492 174.700 -0.063 0.000 1.039 452 T CA 2.037 64.099 62.100 -0.064 0.000 1.153 452 T CB -0.252 68.587 68.868 -0.048 0.000 0.863 452 T HN 0.478 nan 8.240 nan 0.000 0.428 453 K N 1.160 121.518 120.400 -0.071 0.000 2.148 453 K HA 0.060 4.384 4.320 0.005 0.000 0.204 453 K C 2.130 178.689 176.600 -0.068 0.000 1.050 453 K CA 1.141 57.391 56.287 -0.061 0.000 0.942 453 K CB -0.468 31.997 32.500 -0.058 0.000 0.724 453 K HN 0.277 nan 8.250 nan 0.000 0.446 454 L N 1.033 122.203 121.223 -0.088 0.000 2.291 454 L HA -0.033 4.310 4.340 0.005 0.000 0.214 454 L C 2.256 179.078 176.870 -0.079 0.000 1.120 454 L CA 0.507 55.291 54.840 -0.092 0.000 0.799 454 L CB -0.246 41.741 42.059 -0.121 0.000 0.925 454 L HN 0.204 nan 8.230 nan 0.000 0.446 455 L N -0.419 120.760 121.223 -0.074 0.000 2.141 455 L HA -0.189 4.154 4.340 0.005 0.000 0.209 455 L C 2.423 179.260 176.870 -0.056 0.000 1.094 455 L CA 1.182 55.980 54.840 -0.069 0.000 0.763 455 L CB -0.334 41.684 42.059 -0.067 0.000 0.908 455 L HN 0.210 nan 8.230 nan 0.000 0.437 456 K N 0.114 120.484 120.400 -0.050 0.000 2.283 456 K HA -0.132 4.191 4.320 0.005 0.000 0.202 456 K C 1.765 178.342 176.600 -0.039 0.000 1.048 456 K CA 0.893 57.157 56.287 -0.040 0.000 0.948 456 K CB 0.047 32.527 32.500 -0.034 0.000 0.742 456 K HN 0.313 nan 8.250 nan 0.000 0.458 457 K N 0.224 120.596 120.400 -0.045 0.000 2.400 457 K HA 0.004 4.327 4.320 0.005 0.000 0.194 457 K C 0.324 176.899 176.600 -0.042 0.000 1.033 457 K CA 0.238 56.499 56.287 -0.043 0.000 1.021 457 K CB 0.139 32.609 32.500 -0.050 0.000 0.808 457 K HN -0.029 nan 8.250 nan 0.000 0.505 458 N N 0.795 119.469 118.700 -0.043 0.000 2.594 458 N HA 0.097 4.840 4.740 0.005 0.000 0.280 458 N C -0.359 175.129 175.510 -0.036 0.000 1.156 458 N CA -0.146 52.882 53.050 -0.036 0.000 0.831 458 N CB 1.311 39.777 38.487 -0.036 0.000 1.379 458 N HN -0.322 nan 8.380 nan 0.000 0.536 459 K N 0.839 121.222 120.400 -0.028 0.000 2.362 459 K HA 0.078 4.401 4.320 0.005 0.000 0.200 459 K C 0.980 177.567 176.600 -0.021 0.000 1.046 459 K CA 0.902 57.174 56.287 -0.026 0.000 0.952 459 K CB 0.316 32.805 32.500 -0.018 0.000 0.753 459 K HN 0.524 nan 8.250 nan 0.000 0.466 460 E N -0.147 120.049 120.200 -0.007 0.000 2.371 460 E HA 0.043 4.396 4.350 0.005 0.000 0.194 460 E C 0.088 176.686 176.600 -0.005 0.000 1.012 460 E CA 0.249 56.666 56.400 0.029 0.000 0.860 460 E CB 0.095 29.829 29.700 0.057 0.000 0.811 460 E HN -0.000 nan 8.360 nan 0.000 0.502 461 S N 1.046 116.705 115.700 -0.069 0.000 2.580 461 S HA 0.232 4.705 4.470 0.005 0.000 0.274 461 S C 0.090 174.522 174.600 -0.280 0.000 1.329 461 S CA -0.206 57.894 58.200 -0.167 0.000 1.036 461 S CB 1.422 64.565 63.200 -0.095 0.000 0.919 461 S HN 0.109 nan 8.310 nan 0.000 0.515 462 Q N 1.217 120.740 119.800 -0.461 0.000 2.379 462 Q HA 0.581 4.924 4.340 0.005 0.000 0.278 462 Q C -2.113 173.763 176.000 -0.206 0.000 1.068 462 Q CA -0.814 54.782 55.803 -0.346 0.000 0.816 462 Q CB 1.524 29.978 28.738 -0.473 0.000 1.387 462 Q HN 0.504 nan 8.270 nan 0.000 0.413 463 L N 2.524 123.684 121.223 -0.106 0.000 2.345 463 L HA 0.737 5.080 4.340 0.005 0.000 0.274 463 L C -1.552 175.305 176.870 -0.020 0.000 0.999 463 L CA -0.052 54.754 54.840 -0.057 0.000 0.849 463 L CB 1.340 43.369 42.059 -0.050 0.000 1.220 463 L HN 0.636 nan 8.230 nan 0.000 0.422 464 A N 6.877 129.699 122.820 0.003 0.000 2.511 464 A HA 0.668 4.991 4.320 0.005 0.000 0.340 464 A C -0.739 176.857 177.584 0.021 0.000 1.396 464 A CA -0.442 51.611 52.037 0.027 0.000 0.887 464 A CB -0.098 18.943 19.000 0.069 0.000 1.145 464 A HN 0.701 nan 8.150 nan 0.000 0.497 465 L N 0.886 122.118 121.223 0.016 0.000 2.365 465 L HA 0.689 5.032 4.340 0.005 0.000 0.267 465 L C 1.443 178.325 176.870 0.020 0.000 1.033 465 L CA -0.184 54.666 54.840 0.016 0.000 0.802 465 L CB 1.146 43.212 42.059 0.012 0.000 1.267 465 L HN 0.964 nan 8.230 nan 0.000 0.457 466 G N 0.483 109.296 108.800 0.021 0.000 2.249 466 G HA2 -0.200 3.764 3.960 0.005 0.000 0.273 466 G HA3 -0.200 3.764 3.960 0.005 0.000 0.273 466 G C 0.171 175.086 174.900 0.025 0.000 1.036 466 G CA -0.081 45.032 45.100 0.022 0.000 0.824 466 G HN 0.470 nan 8.290 nan 0.000 0.504 467 Q N -0.491 119.325 119.800 0.027 0.000 2.185 467 Q HA 0.478 4.821 4.340 0.005 0.000 0.225 467 Q C 0.789 176.807 176.000 0.030 0.000 0.983 467 Q CA -0.356 55.466 55.803 0.032 0.000 0.950 467 Q CB 0.747 29.508 28.738 0.038 0.000 1.176 467 Q HN 0.483 nan 8.270 nan 0.000 0.510 468 K N 1.179 121.599 120.400 0.033 0.000 2.202 468 K HA 0.290 4.613 4.320 0.005 0.000 0.264 468 K C -2.212 174.406 176.600 0.030 0.000 1.010 468 K CA -1.478 54.828 56.287 0.030 0.000 0.940 468 K CB -0.172 32.347 32.500 0.031 0.000 0.983 468 K HN 0.262 nan 8.250 nan 0.000 0.475 469 P HA -0.046 nan 4.420 nan 0.000 0.264 469 P C -0.454 176.862 177.300 0.026 0.000 1.193 469 P CA 0.341 63.457 63.100 0.027 0.000 0.763 469 P CB 0.419 32.136 31.700 0.029 0.000 0.810 470 M N 2.406 122.017 119.600 0.018 0.000 2.248 470 M HA 0.135 4.618 4.480 0.005 0.000 0.337 470 M C 0.957 177.268 176.300 0.018 0.000 1.121 470 M CA 0.688 55.996 55.300 0.014 0.000 1.155 470 M CB 0.137 32.729 32.600 -0.013 0.000 1.514 470 M HN 0.423 nan 8.290 nan 0.000 0.452 471 T N -1.182 113.384 114.554 0.020 0.000 2.927 471 T HA 0.707 5.060 4.350 0.005 0.000 0.286 471 T C 1.018 175.726 174.700 0.014 0.000 1.040 471 T CA -0.384 61.729 62.100 0.021 0.000 1.010 471 T CB 1.450 70.332 68.868 0.023 0.000 1.177 471 T HN 0.593 nan 8.240 nan 0.000 0.546 472 A N 0.764 123.593 122.820 0.014 0.000 1.883 472 A HA -0.105 4.218 4.320 0.005 0.000 0.217 472 A C 1.978 179.567 177.584 0.009 0.000 1.186 472 A CA 1.973 54.015 52.037 0.008 0.000 0.624 472 A CB -1.205 17.805 19.000 0.016 0.000 0.822 472 A HN 0.921 nan 8.150 nan 0.000 0.444 473 D N 0.146 120.556 120.400 0.017 0.000 2.117 473 D HA -0.136 4.508 4.640 0.005 0.000 0.197 473 D C 1.368 177.684 176.300 0.026 0.000 0.987 473 D CA 1.521 55.534 54.000 0.020 0.000 0.829 473 D CB -0.480 40.331 40.800 0.019 0.000 0.961 473 D HN 0.397 nan 8.370 nan 0.000 0.460 474 D N 0.441 120.862 120.400 0.034 0.000 2.123 474 D HA -0.118 4.525 4.640 0.005 0.000 0.196 474 D C 2.328 178.677 176.300 0.082 0.000 0.992 474 D CA 0.489 54.527 54.000 0.062 0.000 0.833 474 D CB -0.395 40.443 40.800 0.064 0.000 0.954 474 D HN 0.100 nan 8.370 nan 0.000 0.455 475 V N 0.866 120.794 119.914 0.024 0.000 2.307 475 V HA -0.193 3.930 4.120 0.005 0.000 0.245 475 V C 2.660 178.743 176.094 -0.017 0.000 1.045 475 V CA 1.080 63.367 62.300 -0.021 0.000 1.024 475 V CB -0.523 31.248 31.823 -0.087 0.000 0.651 475 V HN 0.179 nan 8.190 nan 0.000 0.449 476 L N -0.429 120.780 121.223 -0.025 0.000 2.079 476 L HA -0.236 4.107 4.340 0.005 0.000 0.210 476 L C 2.282 179.154 176.870 0.004 0.000 1.081 476 L CA 1.652 56.478 54.840 -0.023 0.000 0.752 476 L CB -0.404 41.662 42.059 0.012 0.000 0.896 476 L HN 0.411 nan 8.230 nan 0.000 0.433 477 Q N -2.193 117.622 119.800 0.024 0.000 2.220 477 Q HA -0.032 4.311 4.340 0.005 0.000 0.205 477 Q C 1.299 177.304 176.000 0.009 0.000 0.865 477 Q CA -0.096 55.714 55.803 0.011 0.000 0.960 477 Q CB 0.289 29.028 28.738 0.002 0.000 1.097 477 Q HN 0.407 nan 8.270 nan 0.000 0.493 478 Y N 0.529 120.784 120.300 -0.074 0.000 2.293 478 Y HA -0.092 4.461 4.550 0.005 0.000 0.291 478 Y C 1.613 177.445 175.900 -0.113 0.000 1.137 478 Y CA 1.940 59.984 58.100 -0.093 0.000 1.202 478 Y CB 0.227 38.622 38.460 -0.108 0.000 0.990 478 Y HN 0.254 nan 8.280 nan 0.000 0.537 479 G N -0.674 108.135 108.800 0.015 0.000 2.144 479 G HA2 -0.177 3.786 3.960 0.005 0.000 0.218 479 G HA3 -0.177 3.786 3.960 0.005 0.000 0.218 479 G C 0.130 175.030 174.900 -0.001 0.000 0.988 479 G CA -0.017 45.057 45.100 -0.042 0.000 0.659 479 G HN 0.748 nan 8.290 nan 0.000 0.522 480 A N 0.017 122.880 122.820 0.072 0.000 2.340 480 A HA 0.632 4.955 4.320 0.005 0.000 0.268 480 A C 1.166 178.744 177.584 -0.010 0.000 1.100 480 A CA 0.506 52.562 52.037 0.031 0.000 0.803 480 A CB 0.471 19.482 19.000 0.018 0.000 1.043 480 A HN 0.153 nan 8.150 nan 0.000 0.488 481 D N 0.547 120.948 120.400 0.002 0.000 2.117 481 D HA -0.026 4.617 4.640 0.005 0.000 0.198 481 D C 0.202 176.483 176.300 -0.031 0.000 0.982 481 D CA 1.467 55.469 54.000 0.004 0.000 0.828 481 D CB 0.241 41.066 40.800 0.042 0.000 0.967 481 D HN 0.520 nan 8.370 nan 0.000 0.464 482 K N -0.128 120.244 120.400 -0.046 0.000 2.477 482 K HA 0.534 4.857 4.320 0.005 0.000 0.255 482 K C -1.199 175.313 176.600 -0.148 0.000 0.952 482 K CA -0.637 55.588 56.287 -0.103 0.000 0.826 482 K CB 3.590 36.093 32.500 0.005 0.000 1.331 482 K HN -0.279 nan 8.250 nan 0.000 0.437 483 V N 2.916 122.678 119.914 -0.254 0.000 2.656 483 V HA 0.507 4.631 4.120 0.005 0.000 0.307 483 V C -0.721 175.269 176.094 -0.174 0.000 1.051 483 V CA -0.812 61.353 62.300 -0.225 0.000 0.893 483 V CB 1.794 33.442 31.823 -0.291 0.000 0.999 483 V HN 0.624 nan 8.190 nan 0.000 0.426 484 I N 5.111 125.631 120.570 -0.082 0.000 2.382 484 I HA 0.411 4.585 4.170 0.005 0.000 0.286 484 I C -0.831 175.275 176.117 -0.019 0.000 1.002 484 I CA -0.500 60.795 61.300 -0.009 0.000 1.135 484 I CB 1.660 39.665 38.000 0.009 0.000 1.288 484 I HN 0.352 nan 8.210 nan 0.000 0.448 485 I N 6.081 126.660 120.570 0.015 0.000 2.301 485 I HA 0.307 4.481 4.170 0.005 0.000 0.292 485 I C 0.714 176.823 176.117 -0.013 0.000 1.046 485 I CA -0.088 61.229 61.300 0.028 0.000 1.282 485 I CB 1.010 39.096 38.000 0.143 0.000 1.409 485 I HN 0.608 nan 8.210 nan 0.000 0.484 486 A N 4.269 127.084 122.820 -0.008 0.000 3.214 486 A HA 0.336 4.659 4.320 0.005 0.000 0.304 486 A C 1.036 178.623 177.584 0.005 0.000 0.969 486 A CA -0.358 51.673 52.037 -0.009 0.000 0.986 486 A CB -0.371 18.628 19.000 -0.002 0.000 1.073 486 A HN 0.711 nan 8.150 nan 0.000 0.487 487 T N -2.553 112.005 114.554 0.007 0.000 3.148 487 T HA 0.433 4.786 4.350 0.005 0.000 0.253 487 T C 1.254 175.959 174.700 0.009 0.000 1.134 487 T CA 0.814 62.925 62.100 0.018 0.000 1.051 487 T CB -0.340 68.549 68.868 0.036 0.000 0.959 487 T HN 2.027 nan 8.240 nan 0.000 0.525 488 G N 1.059 109.854 108.800 -0.008 0.000 2.642 488 G HA2 0.298 4.261 3.960 0.005 0.000 0.231 488 G HA3 0.298 4.261 3.960 0.005 0.000 0.231 488 G C -0.271 174.572 174.900 -0.095 0.000 1.338 488 G CA -0.409 44.669 45.100 -0.037 0.000 0.883 488 G HN 1.378 nan 8.290 nan 0.000 0.570 489 A N -0.724 121.993 122.820 -0.172 0.000 2.566 489 A HA 0.976 5.299 4.320 0.005 0.000 0.292 489 A C -0.273 177.100 177.584 -0.351 0.000 1.112 489 A CA -0.379 51.485 52.037 -0.289 0.000 0.707 489 A CB 1.819 20.603 19.000 -0.361 0.000 1.302 489 A HN 1.096 nan 8.150 nan 0.000 0.409 490 R N -0.763 119.402 120.500 -0.559 0.000 2.837 490 R HA 0.361 4.704 4.340 0.005 0.000 0.271 490 R C -1.756 174.202 176.300 -0.571 0.000 0.993 490 R CA -0.410 55.433 56.100 -0.429 0.000 0.931 490 R CB 0.947 31.102 30.300 -0.243 0.000 1.206 490 R HN 0.769 nan 8.270 nan 0.000 0.474 491 W N 1.565 122.747 121.300 -0.196 0.000 2.216 491 W HA 0.179 4.842 4.660 0.005 0.000 0.326 491 W C 0.663 177.194 176.519 0.019 0.000 1.319 491 W CA 0.112 57.395 57.345 -0.103 0.000 1.213 491 W CB 0.321 29.740 29.460 -0.069 0.000 1.171 491 W HN 0.269 nan 8.180 nan 0.000 0.557 492 N N 1.166 120.039 118.700 0.288 0.000 2.353 492 N HA -0.049 4.694 4.740 0.005 0.000 0.248 492 N C 1.064 176.717 175.510 0.240 0.000 1.240 492 N CA 0.779 54.022 53.050 0.321 0.000 0.862 492 N CB 0.683 39.316 38.487 0.245 0.000 1.086 492 N HN 0.505 nan 8.380 nan 0.000 0.453 493 T N -3.434 111.229 114.554 0.181 0.000 3.010 493 T HA 0.048 4.402 4.350 0.005 0.000 0.257 493 T C 0.369 175.115 174.700 0.075 0.000 1.020 493 T CA -0.167 62.003 62.100 0.117 0.000 0.938 493 T CB 0.099 69.030 68.868 0.105 0.000 1.049 493 T HN 0.487 nan 8.240 nan 0.000 0.522 494 D N 0.390 120.834 120.400 0.073 0.000 2.479 494 D HA 0.314 4.957 4.640 0.005 0.000 0.218 494 D C 1.554 177.891 176.300 0.061 0.000 1.177 494 D CA 0.175 54.207 54.000 0.054 0.000 0.830 494 D CB -0.257 40.565 40.800 0.037 0.000 1.014 494 D HN 0.478 nan 8.370 nan 0.000 0.503 495 G N 0.239 109.087 108.800 0.079 0.000 2.199 495 G HA2 -0.290 3.673 3.960 0.005 0.000 0.254 495 G HA3 -0.290 3.673 3.960 0.005 0.000 0.254 495 G C 0.498 175.482 174.900 0.139 0.000 0.982 495 G CA 0.234 45.388 45.100 0.090 0.000 0.632 495 G HN 0.417 nan 8.290 nan 0.000 0.529 496 T N 1.541 116.169 114.554 0.124 0.000 2.905 496 T HA 0.400 4.753 4.350 0.005 0.000 0.299 496 T C 0.467 175.258 174.700 0.152 0.000 1.024 496 T CA 1.167 63.344 62.100 0.129 0.000 1.151 496 T CB 0.356 69.286 68.868 0.103 0.000 0.987 496 T HN 1.152 nan 8.240 nan 0.000 0.535 497 N N 0.059 118.842 118.700 0.139 0.000 2.732 497 N HA 0.315 5.058 4.740 0.005 0.000 0.259 497 N C 1.028 176.539 175.510 0.003 0.000 1.402 497 N CA -0.873 52.234 53.050 0.095 0.000 0.829 497 N CB 0.322 38.890 38.487 0.134 0.000 1.495 497 N HN 0.512 nan 8.380 nan 0.000 0.511 498 C N -0.850 118.424 119.300 -0.042 0.000 2.437 498 C HA 0.161 4.624 4.460 0.005 0.000 0.283 498 C C 1.879 176.640 174.990 -0.382 0.000 1.424 498 C CA -0.023 58.949 59.018 -0.076 0.000 1.782 498 C CB -1.794 25.947 27.740 0.000 0.000 1.833 498 C HN 0.670 nan 8.230 nan 0.000 0.532 499 L N 1.985 122.967 121.223 -0.401 0.000 2.044 499 L HA -0.017 4.326 4.340 0.005 0.000 0.205 499 L C 3.037 179.660 176.870 -0.412 0.000 1.075 499 L CA 2.119 56.709 54.840 -0.417 0.000 0.747 499 L CB -0.921 40.829 42.059 -0.516 0.000 0.903 499 L HN 0.608 nan 8.230 nan 0.000 0.435 500 T N -6.528 107.834 114.554 -0.320 0.000 3.000 500 T HA 0.036 4.389 4.350 0.005 0.000 0.248 500 T C 0.765 175.375 174.700 -0.150 0.000 1.034 500 T CA 0.037 62.027 62.100 -0.183 0.000 1.060 500 T CB 0.101 68.979 68.868 0.016 0.000 0.983 500 T HN 0.305 nan 8.240 nan 0.000 0.482 501 H N 0.860 119.951 119.070 0.035 0.000 3.080 501 H HA -0.084 4.475 4.556 0.005 0.000 0.254 501 H C -0.979 174.374 175.328 0.041 0.000 1.179 501 H CA 1.176 57.243 56.048 0.032 0.000 1.144 501 H CB -2.052 27.722 29.762 0.020 0.000 1.261 501 H HN 0.497 nan 8.280 nan 0.000 0.333 502 D N -0.437 120.040 120.400 0.127 0.000 2.523 502 D HA 0.409 5.052 4.640 0.005 0.000 0.236 502 D C -2.267 174.091 176.300 0.097 0.000 1.094 502 D CA -1.665 52.395 54.000 0.100 0.000 0.942 502 D CB 2.098 42.947 40.800 0.082 0.000 1.447 502 D HN -0.086 nan 8.370 nan 0.000 0.479 503 P HA 0.292 nan 4.420 nan 0.000 0.274 503 P C -0.412 176.932 177.300 0.072 0.000 1.246 503 P CA -0.188 62.955 63.100 0.071 0.000 0.795 503 P CB 0.796 32.526 31.700 0.050 0.000 1.006 504 I N 2.366 122.973 120.570 0.062 0.000 2.336 504 I HA 0.270 4.443 4.170 0.005 0.000 0.292 504 I C -2.134 174.003 176.117 0.033 0.000 0.991 504 I CA -2.707 58.618 61.300 0.042 0.000 1.227 504 I CB 1.475 39.473 38.000 -0.003 0.000 1.366 504 I HN 0.128 nan 8.210 nan 0.000 0.466 505 P HA 0.022 nan 4.420 nan 0.000 0.260 505 P C 0.783 178.113 177.300 0.051 0.000 1.185 505 P CA 0.847 63.972 63.100 0.042 0.000 0.763 505 P CB 0.455 32.180 31.700 0.041 0.000 0.776 506 G N 2.436 111.270 108.800 0.056 0.000 2.195 506 G HA2 -0.181 3.782 3.960 0.005 0.000 0.246 506 G HA3 -0.181 3.782 3.960 0.005 0.000 0.246 506 G C 0.366 175.306 174.900 0.066 0.000 0.984 506 G CA -0.077 45.066 45.100 0.072 0.000 0.633 506 G HN 0.840 nan 8.290 nan 0.000 0.525 507 A N 0.365 123.212 122.820 0.045 0.000 2.354 507 A HA 0.590 4.913 4.320 0.005 0.000 0.281 507 A C -0.112 177.495 177.584 0.038 0.000 1.174 507 A CA 0.628 52.684 52.037 0.032 0.000 0.828 507 A CB 0.629 19.640 19.000 0.019 0.000 1.099 507 A HN 0.555 nan 8.150 nan 0.000 0.516 508 D N 1.987 122.409 120.400 0.037 0.000 2.419 508 D HA 0.346 4.989 4.640 0.005 0.000 0.219 508 D C 0.426 176.746 176.300 0.034 0.000 1.349 508 D CA 0.241 54.263 54.000 0.038 0.000 0.964 508 D CB 1.216 42.041 40.800 0.041 0.000 1.463 508 D HN 0.432 nan 8.370 nan 0.000 0.573 509 A N 2.232 125.072 122.820 0.033 0.000 2.248 509 A HA -0.034 4.290 4.320 0.005 0.000 0.210 509 A C 1.765 179.366 177.584 0.029 0.000 1.174 509 A CA 1.398 53.451 52.037 0.027 0.000 0.750 509 A CB -0.218 18.803 19.000 0.034 0.000 0.780 509 A HN 0.481 nan 8.150 nan 0.000 0.478 510 S N -0.760 114.961 115.700 0.033 0.000 2.528 510 S HA 0.237 4.710 4.470 0.005 0.000 0.219 510 S C 0.636 175.255 174.600 0.032 0.000 0.985 510 S CA -0.309 57.910 58.200 0.032 0.000 0.914 510 S CB -0.519 62.700 63.200 0.031 0.000 0.776 510 S HN 0.400 nan 8.310 nan 0.000 0.526 511 L N 1.675 122.920 121.223 0.037 0.000 2.452 511 L HA 0.242 4.585 4.340 0.005 0.000 0.267 511 L C -1.398 175.498 176.870 0.044 0.000 1.188 511 L CA -1.811 53.055 54.840 0.044 0.000 0.821 511 L CB 0.310 42.404 42.059 0.058 0.000 1.102 511 L HN 0.025 nan 8.230 nan 0.000 0.470 512 P HA -0.150 nan 4.420 nan 0.000 0.218 512 P C 0.383 177.718 177.300 0.060 0.000 1.149 512 P CA 1.037 64.164 63.100 0.045 0.000 0.817 512 P CB 0.046 31.771 31.700 0.041 0.000 0.785 513 D N -2.064 118.392 120.400 0.094 0.000 2.342 513 D HA 0.009 4.652 4.640 0.005 0.000 0.221 513 D C 0.242 176.605 176.300 0.106 0.000 1.101 513 D CA 0.111 54.200 54.000 0.148 0.000 0.837 513 D CB -0.359 40.601 40.800 0.266 0.000 0.938 513 D HN 0.207 nan 8.370 nan 0.000 0.508 514 Q N -0.035 119.788 119.800 0.038 0.000 2.356 514 Q HA 0.646 4.989 4.340 0.005 0.000 0.270 514 Q C -1.179 174.798 176.000 -0.039 0.000 1.058 514 Q CA -0.883 54.900 55.803 -0.034 0.000 0.802 514 Q CB 2.592 31.320 28.738 -0.015 0.000 1.303 514 Q HN 0.032 nan 8.270 nan 0.000 0.444 515 L N 0.476 121.653 121.223 -0.078 0.000 2.350 515 L HA 0.630 4.974 4.340 0.005 0.000 0.260 515 L C -0.002 176.821 176.870 -0.079 0.000 1.015 515 L CA -0.646 54.154 54.840 -0.068 0.000 0.821 515 L CB 2.217 44.223 42.059 -0.087 0.000 1.370 515 L HN 0.704 nan 8.230 nan 0.000 0.416 516 T N -3.133 111.386 114.554 -0.057 0.000 2.949 516 T HA 0.520 4.873 4.350 0.005 0.000 0.287 516 T C -2.303 172.315 174.700 -0.137 0.000 1.034 516 T CA -2.023 60.041 62.100 -0.061 0.000 1.018 516 T CB 1.836 70.726 68.868 0.036 0.000 1.135 516 T HN 0.302 nan 8.240 nan 0.000 0.532 517 P HA -0.078 nan 4.420 nan 0.000 0.216 517 P C 1.170 178.375 177.300 -0.158 0.000 1.150 517 P CA 1.105 63.996 63.100 -0.348 0.000 0.837 517 P CB 0.060 31.292 31.700 -0.779 0.000 0.786 518 E N -0.446 119.725 120.200 -0.049 0.000 2.051 518 E HA -0.211 4.142 4.350 0.005 0.000 0.192 518 E C 2.165 178.762 176.600 -0.005 0.000 0.991 518 E CA 1.253 57.665 56.400 0.019 0.000 0.799 518 E CB -0.759 28.989 29.700 0.081 0.000 0.748 518 E HN 0.371 nan 8.360 nan 0.000 0.449 519 Q N -0.021 119.771 119.800 -0.014 0.000 2.124 519 Q HA -0.130 4.214 4.340 0.005 0.000 0.202 519 Q C 2.234 178.211 176.000 -0.040 0.000 0.977 519 Q CA 1.301 57.093 55.803 -0.018 0.000 0.850 519 Q CB -0.014 28.715 28.738 -0.016 0.000 0.901 519 Q HN 0.163 nan 8.270 nan 0.000 0.429 520 V N 0.598 120.468 119.914 -0.072 0.000 2.307 520 V HA -0.255 3.868 4.120 0.005 0.000 0.245 520 V C 2.097 178.149 176.094 -0.070 0.000 1.045 520 V CA 1.682 63.929 62.300 -0.090 0.000 1.024 520 V CB -0.391 31.350 31.823 -0.137 0.000 0.651 520 V HN 0.420 nan 8.190 nan 0.000 0.449 521 M N -0.408 119.153 119.600 -0.064 0.000 2.229 521 M HA -0.142 4.341 4.480 0.005 0.000 0.264 521 M C 1.820 178.106 176.300 -0.023 0.000 1.063 521 M CA 1.479 56.752 55.300 -0.045 0.000 1.114 521 M CB -0.540 32.039 32.600 -0.035 0.000 1.387 521 M HN 0.298 nan 8.290 nan 0.000 0.420 522 D N 0.253 120.645 120.400 -0.013 0.000 2.219 522 D HA -0.035 4.608 4.640 0.005 0.000 0.205 522 D C 1.479 177.776 176.300 -0.006 0.000 0.970 522 D CA 1.413 55.411 54.000 -0.002 0.000 0.851 522 D CB -0.264 40.540 40.800 0.006 0.000 0.943 522 D HN 0.523 nan 8.370 nan 0.000 0.488 523 G N 0.826 109.617 108.800 -0.014 0.000 2.198 523 G HA2 -0.321 3.642 3.960 0.005 0.000 0.260 523 G HA3 -0.321 3.642 3.960 0.005 0.000 0.260 523 G C 1.205 176.104 174.900 -0.001 0.000 1.025 523 G CA 0.693 45.786 45.100 -0.010 0.000 0.769 523 G HN 0.211 nan 8.290 nan 0.000 0.507 524 K N -0.060 120.340 120.400 0.000 0.000 2.172 524 K HA 0.139 4.462 4.320 0.005 0.000 0.203 524 K C 1.388 177.992 176.600 0.007 0.000 1.040 524 K CA 0.461 56.751 56.287 0.006 0.000 0.974 524 K CB -0.050 32.454 32.500 0.008 0.000 0.857 524 K HN 0.434 nan 8.250 nan 0.000 0.464 525 K N 2.529 122.931 120.400 0.003 0.000 2.447 525 K HA -0.030 4.293 4.320 0.005 0.000 0.281 525 K C -0.217 176.387 176.600 0.006 0.000 1.031 525 K CA 0.121 56.411 56.287 0.005 0.000 1.019 525 K CB 0.508 33.007 32.500 -0.001 0.000 0.918 525 K HN -0.183 nan 8.250 nan 0.000 0.476 526 K N 3.915 124.325 120.400 0.017 0.000 2.382 526 K HA 0.138 4.461 4.320 0.005 0.000 0.275 526 K C 0.090 176.709 176.600 0.031 0.000 1.009 526 K CA 0.184 56.489 56.287 0.029 0.000 0.970 526 K CB 0.479 32.999 32.500 0.033 0.000 0.934 526 K HN 0.537 nan 8.250 nan 0.000 0.479 527 I N 1.437 122.042 120.570 0.058 0.000 2.436 527 I HA 0.204 4.377 4.170 0.005 0.000 0.289 527 I C 0.957 177.175 176.117 0.168 0.000 1.010 527 I CA -0.818 60.514 61.300 0.053 0.000 1.098 527 I CB 1.938 39.891 38.000 -0.078 0.000 1.266 527 I HN 0.559 nan 8.210 nan 0.000 0.434 528 G N 3.530 112.408 108.800 0.131 0.000 2.683 528 G HA2 0.080 4.043 3.960 0.005 0.000 0.260 528 G HA3 0.080 4.043 3.960 0.005 0.000 0.260 528 G C 0.705 175.749 174.900 0.240 0.000 1.238 528 G CA -0.153 45.036 45.100 0.149 0.000 0.934 528 G HN 0.673 nan 8.290 nan 0.000 0.534 529 K N -0.270 120.217 120.400 0.145 0.000 1.985 529 K HA -0.049 4.274 4.320 0.005 0.000 0.210 529 K C 1.338 178.038 176.600 0.167 0.000 1.047 529 K CA 1.004 57.360 56.287 0.116 0.000 0.932 529 K CB -0.187 32.330 32.500 0.028 0.000 0.716 529 K HN 0.389 nan 8.250 nan 0.000 0.439 530 R N 0.589 121.164 120.500 0.124 0.000 2.248 530 R HA 0.253 4.596 4.340 0.005 0.000 0.337 530 R C -1.155 175.220 176.300 0.125 0.000 1.085 530 R CA -0.331 55.837 56.100 0.114 0.000 0.934 530 R CB 1.281 31.640 30.300 0.097 0.000 1.034 530 R HN -0.047 nan 8.270 nan 0.000 0.465 531 V N 4.418 124.378 119.914 0.078 0.000 2.459 531 V HA 0.350 4.473 4.120 0.005 0.000 0.295 531 V C -0.178 175.895 176.094 -0.034 0.000 1.029 531 V CA -0.796 61.502 62.300 -0.004 0.000 0.874 531 V CB 1.970 33.740 31.823 -0.088 0.000 0.985 531 V HN 0.387 nan 8.190 nan 0.000 0.438 532 V N 6.288 126.142 119.914 -0.099 0.000 2.448 532 V HA 0.495 4.618 4.120 0.005 0.000 0.295 532 V C -0.203 175.772 176.094 -0.198 0.000 1.025 532 V CA -0.410 61.815 62.300 -0.126 0.000 0.859 532 V CB 1.866 33.621 31.823 -0.113 0.000 0.988 532 V HN 0.679 nan 8.190 nan 0.000 0.431 533 I N 5.764 126.242 120.570 -0.153 0.000 2.312 533 I HA 0.318 4.491 4.170 0.005 0.000 0.290 533 I C -0.558 175.479 176.117 -0.135 0.000 1.008 533 I CA -0.603 60.601 61.300 -0.160 0.000 1.226 533 I CB 1.558 39.473 38.000 -0.141 0.000 1.371 533 I HN 0.392 nan 8.210 nan 0.000 0.468 534 L N 8.708 129.843 121.223 -0.146 0.000 2.265 534 L HA 0.391 4.734 4.340 0.005 0.000 0.288 534 L C -0.266 176.594 176.870 -0.015 0.000 1.058 534 L CA 0.341 55.119 54.840 -0.104 0.000 0.809 534 L CB 0.557 42.514 42.059 -0.170 0.000 1.179 534 L HN 0.590 nan 8.230 nan 0.000 0.429 535 N N 3.850 122.586 118.700 0.061 0.000 2.269 535 N HA 0.655 5.398 4.740 0.005 0.000 0.304 535 N C -0.714 174.894 175.510 0.163 0.000 1.072 535 N CA 0.084 53.184 53.050 0.083 0.000 0.802 535 N CB 2.147 40.642 38.487 0.014 0.000 1.348 535 N HN 0.703 nan 8.380 nan 0.000 0.484 536 A N 2.556 125.454 122.820 0.129 0.000 2.622 536 A HA 0.186 4.510 4.320 0.005 0.000 0.283 536 A C -0.525 177.098 177.584 0.066 0.000 0.998 536 A CA -0.308 51.757 52.037 0.047 0.000 0.985 536 A CB 0.011 19.021 19.000 0.015 0.000 1.236 536 A HN 0.743 nan 8.150 nan 0.000 0.559 537 D N -0.459 120.003 120.400 0.103 0.000 2.350 537 D HA 0.463 5.106 4.640 0.005 0.000 0.245 537 D C 1.026 177.397 176.300 0.119 0.000 1.036 537 D CA 0.388 54.467 54.000 0.132 0.000 0.848 537 D CB 1.634 42.565 40.800 0.218 0.000 1.307 537 D HN 0.029 nan 8.370 nan 0.000 0.469 538 T N 0.203 114.849 114.554 0.154 0.000 3.163 538 T HA 0.136 4.489 4.350 0.005 0.000 0.252 538 T C 0.658 175.536 174.700 0.297 0.000 1.056 538 T CA -0.180 62.039 62.100 0.198 0.000 0.947 538 T CB -0.481 68.523 68.868 0.226 0.000 1.016 538 T HN 0.485 nan 8.240 nan 0.000 0.554 539 Y N 0.527 120.886 120.300 0.098 0.000 3.252 539 Y HA 0.416 4.969 4.550 0.005 0.000 0.369 539 Y C 1.325 177.290 175.900 0.109 0.000 1.223 539 Y CA -1.176 57.014 58.100 0.150 0.000 1.036 539 Y CB 0.597 39.111 38.460 0.090 0.000 1.152 539 Y HN 0.104 nan 8.280 nan 0.000 0.885 540 F N -0.790 119.214 119.950 0.089 0.000 2.619 540 F HA 0.104 4.634 4.527 0.005 0.000 0.293 540 F C 1.778 177.498 175.800 -0.132 0.000 1.119 540 F CA 0.243 58.185 58.000 -0.097 0.000 1.445 540 F CB -0.501 38.279 39.000 -0.367 0.000 1.119 540 F HN 0.258 nan 8.300 nan 0.000 0.573 541 M N 2.451 121.642 119.600 -0.681 0.000 2.082 541 M HA -0.087 4.397 4.480 0.005 0.000 0.258 541 M C 2.447 178.570 176.300 -0.294 0.000 1.071 541 M CA 2.198 57.209 55.300 -0.482 0.000 1.103 541 M CB -1.048 31.123 32.600 -0.715 0.000 1.307 541 M HN 0.295 nan 8.290 nan 0.000 0.409 542 A N 0.463 123.136 122.820 -0.245 0.000 1.865 542 A HA -0.113 4.210 4.320 0.005 0.000 0.217 542 A C -0.270 177.239 177.584 -0.124 0.000 1.191 542 A CA 1.954 53.884 52.037 -0.179 0.000 0.623 542 A CB -2.414 16.513 19.000 -0.122 0.000 0.826 542 A HN 0.527 nan 8.150 nan 0.000 0.444 543 P HA -0.055 nan 4.420 nan 0.000 0.219 543 P C 1.525 178.780 177.300 -0.074 0.000 1.150 543 P CA 1.636 64.697 63.100 -0.065 0.000 0.814 543 P CB -0.170 31.509 31.700 -0.034 0.000 0.787 544 S N 0.131 115.789 115.700 -0.070 0.000 2.368 544 S HA -0.043 4.430 4.470 0.005 0.000 0.224 544 S C 2.030 176.560 174.600 -0.117 0.000 1.029 544 S CA 0.983 59.127 58.200 -0.093 0.000 0.988 544 S CB -0.996 62.174 63.200 -0.051 0.000 0.838 544 S HN 0.127 nan 8.310 nan 0.000 0.462 545 L N 1.033 122.173 121.223 -0.138 0.000 2.093 545 L HA -0.068 4.275 4.340 0.005 0.000 0.208 545 L C 2.782 179.573 176.870 -0.132 0.000 1.085 545 L CA 1.003 55.750 54.840 -0.155 0.000 0.755 545 L CB -0.706 41.231 42.059 -0.204 0.000 0.904 545 L HN 0.311 nan 8.230 nan 0.000 0.435 546 A N 0.143 122.892 122.820 -0.118 0.000 1.883 546 A HA -0.282 4.041 4.320 0.005 0.000 0.217 546 A C 2.265 179.805 177.584 -0.074 0.000 1.186 546 A CA 2.023 54.005 52.037 -0.093 0.000 0.624 546 A CB -0.571 18.380 19.000 -0.082 0.000 0.822 546 A HN 0.482 nan 8.150 nan 0.000 0.444 547 E N -0.107 120.047 120.200 -0.077 0.000 2.058 547 E HA -0.270 4.084 4.350 0.005 0.000 0.194 547 E C 2.115 178.676 176.600 -0.063 0.000 0.997 547 E CA 1.633 57.992 56.400 -0.068 0.000 0.801 547 E CB -0.193 29.459 29.700 -0.079 0.000 0.746 547 E HN 0.608 nan 8.360 nan 0.000 0.450 548 K N 0.403 120.755 120.400 -0.080 0.000 2.020 548 K HA -0.189 4.134 4.320 0.005 0.000 0.212 548 K C 2.294 178.872 176.600 -0.035 0.000 1.050 548 K CA 1.692 57.938 56.287 -0.070 0.000 0.929 548 K CB -0.194 32.251 32.500 -0.092 0.000 0.714 548 K HN 0.216 nan 8.250 nan 0.000 0.443 549 L N 0.274 121.466 121.223 -0.052 0.000 2.093 549 L HA -0.114 4.229 4.340 0.005 0.000 0.208 549 L C 2.679 179.612 176.870 0.105 0.000 1.085 549 L CA 1.076 55.908 54.840 -0.012 0.000 0.755 549 L CB -0.520 41.437 42.059 -0.169 0.000 0.904 549 L HN 0.310 nan 8.230 nan 0.000 0.435 550 A N -0.152 122.691 122.820 0.038 0.000 1.930 550 A HA -0.165 4.159 4.320 0.005 0.000 0.217 550 A C 2.295 179.900 177.584 0.035 0.000 1.175 550 A CA 2.122 54.186 52.037 0.045 0.000 0.627 550 A CB -0.834 18.170 19.000 0.008 0.000 0.815 550 A HN 0.406 nan 8.150 nan 0.000 0.443 551 T N 0.075 114.638 114.554 0.014 0.000 3.007 551 T HA 0.148 4.501 4.350 0.005 0.000 0.270 551 T C 1.672 176.379 174.700 0.012 0.000 1.107 551 T CA 1.040 63.141 62.100 0.001 0.000 1.118 551 T CB -0.157 68.700 68.868 -0.018 0.000 0.889 551 T HN 0.534 nan 8.240 nan 0.000 0.506 552 A N 0.419 123.268 122.820 0.050 0.000 2.307 552 A HA 0.596 4.919 4.320 0.005 0.000 0.218 552 A C 1.892 179.454 177.584 -0.037 0.000 1.228 552 A CA 0.490 52.555 52.037 0.047 0.000 0.857 552 A CB -0.577 18.507 19.000 0.140 0.000 0.897 552 A HN 0.647 nan 8.150 nan 0.000 0.495 553 G N -1.228 107.553 108.800 -0.032 0.000 2.176 553 G HA2 -0.195 3.768 3.960 0.005 0.000 0.232 553 G HA3 -0.195 3.768 3.960 0.005 0.000 0.232 553 G C 0.123 174.934 174.900 -0.148 0.000 0.986 553 G CA 0.165 45.204 45.100 -0.102 0.000 0.643 553 G HN 0.665 nan 8.290 nan 0.000 0.522 554 H N 0.757 119.819 119.070 -0.013 0.000 2.547 554 H HA 0.375 4.934 4.556 0.005 0.000 0.362 554 H C 0.025 175.349 175.328 -0.008 0.000 1.181 554 H CA 0.141 56.182 56.048 -0.012 0.000 1.376 554 H CB 0.808 30.559 29.762 -0.018 0.000 1.488 554 H HN 0.382 nan 8.280 nan 0.000 0.583 555 E N 1.658 121.931 120.200 0.122 0.000 2.046 555 E HA 0.262 4.615 4.350 0.005 0.000 0.279 555 E C -0.762 175.875 176.600 0.061 0.000 0.989 555 E CA -0.475 55.965 56.400 0.066 0.000 0.798 555 E CB 1.209 30.934 29.700 0.042 0.000 1.086 555 E HN 0.179 nan 8.360 nan 0.000 0.399 556 V N 3.101 123.039 119.914 0.040 0.000 2.483 556 V HA 0.371 4.495 4.120 0.005 0.000 0.295 556 V C 0.142 176.233 176.094 -0.005 0.000 1.035 556 V CA -0.559 61.745 62.300 0.006 0.000 0.896 556 V CB 1.834 33.648 31.823 -0.015 0.000 0.986 556 V HN 0.614 nan 8.190 nan 0.000 0.447 557 T N 5.660 120.203 114.554 -0.019 0.000 2.879 557 T HA 0.620 4.973 4.350 0.005 0.000 0.290 557 T C -0.453 174.219 174.700 -0.047 0.000 0.993 557 T CA -0.204 61.882 62.100 -0.025 0.000 0.975 557 T CB 1.155 70.013 68.868 -0.016 0.000 0.981 557 T HN 0.413 nan 8.240 nan 0.000 0.439 558 I N 3.071 123.614 120.570 -0.045 0.000 2.339 558 I HA 0.398 4.571 4.170 0.005 0.000 0.290 558 I C -0.361 175.731 176.117 -0.042 0.000 0.994 558 I CA -1.006 60.263 61.300 -0.052 0.000 1.191 558 I CB 1.576 39.548 38.000 -0.047 0.000 1.343 558 I HN 0.246 nan 8.210 nan 0.000 0.458 559 V N 5.379 125.263 119.914 -0.050 0.000 2.333 559 V HA 0.239 4.362 4.120 0.005 0.000 0.274 559 V C 0.201 176.307 176.094 0.019 0.000 1.028 559 V CA -0.153 62.124 62.300 -0.038 0.000 0.851 559 V CB 1.306 33.078 31.823 -0.083 0.000 1.000 559 V HN 0.761 nan 8.190 nan 0.000 0.456 560 S N 3.401 119.133 115.700 0.054 0.000 2.498 560 S HA 0.571 5.044 4.470 0.005 0.000 0.317 560 S C 1.056 175.711 174.600 0.090 0.000 1.090 560 S CA 0.037 58.284 58.200 0.079 0.000 1.089 560 S CB 1.497 64.722 63.200 0.042 0.000 0.997 560 S HN 0.906 nan 8.310 nan 0.000 0.470 561 G N 2.834 111.693 108.800 0.098 0.000 2.777 561 G HA2 0.260 4.223 3.960 0.005 0.000 0.211 561 G HA3 0.260 4.223 3.960 0.005 0.000 0.211 561 G C 0.434 175.252 174.900 -0.137 0.000 1.149 561 G CA 0.744 45.797 45.100 -0.078 0.000 0.785 561 G HN 0.898 nan 8.290 nan 0.000 0.536 562 V N -4.361 115.530 119.914 -0.039 0.000 3.126 562 V HA 0.501 4.624 4.120 0.005 0.000 0.314 562 V C -0.125 176.039 176.094 0.116 0.000 1.138 562 V CA -1.637 60.677 62.300 0.024 0.000 1.034 562 V CB 1.469 33.308 31.823 0.026 0.000 1.075 562 V HN 0.201 nan 8.190 nan 0.000 0.442 563 H N 1.988 121.105 119.070 0.077 0.000 3.145 563 H HA 0.173 4.732 4.556 0.005 0.000 0.263 563 H C -0.187 175.215 175.328 0.123 0.000 1.057 563 H CA -0.326 55.788 56.048 0.111 0.000 1.477 563 H CB 0.890 30.724 29.762 0.121 0.000 1.529 563 H HN 0.713 nan 8.280 nan 0.000 0.508 564 L N 5.364 126.478 121.223 -0.183 0.000 2.601 564 L HA -0.024 4.319 4.340 0.005 0.000 0.277 564 L C 0.968 177.762 176.870 -0.127 0.000 1.219 564 L CA 1.231 55.997 54.840 -0.123 0.000 0.915 564 L CB -0.099 41.906 42.059 -0.089 0.000 1.160 564 L HN 0.892 nan 8.230 nan 0.000 0.494 565 A N 3.142 125.972 122.820 0.018 0.000 2.799 565 A HA -0.330 3.993 4.320 0.005 0.000 0.287 565 A C 1.633 179.283 177.584 0.111 0.000 1.484 565 A CA 1.237 53.345 52.037 0.118 0.000 0.813 565 A CB -2.496 16.555 19.000 0.085 0.000 1.009 565 A HN 1.033 nan 8.150 nan 0.000 0.545 566 N N -1.074 117.686 118.700 0.101 0.000 2.061 566 N HA -0.209 4.534 4.740 0.005 0.000 0.193 566 N C 1.303 176.805 175.510 -0.013 0.000 1.030 566 N CA 2.518 55.672 53.050 0.174 0.000 0.856 566 N CB -0.375 38.344 38.487 0.387 0.000 1.023 566 N HN 0.752 nan 8.380 nan 0.000 0.424 567 Y N 0.267 120.593 120.300 0.044 0.000 2.403 567 Y HA -0.033 4.521 4.550 0.006 0.000 0.291 567 Y C 1.988 177.874 175.900 -0.023 0.000 1.143 567 Y CA 1.172 59.302 58.100 0.050 0.000 1.257 567 Y CB -0.064 38.329 38.460 -0.112 0.000 0.984 567 Y HN 0.181 nan 8.280 nan 0.000 0.550 568 M N -1.274 118.391 119.600 0.109 0.000 2.549 568 M HA -0.212 4.272 4.480 0.005 0.000 0.260 568 M C 1.642 177.941 176.300 -0.002 0.000 1.076 568 M CA 0.783 56.178 55.300 0.160 0.000 1.090 568 M CB -0.240 32.532 32.600 0.286 0.000 1.418 568 M HN 0.317 nan 8.290 nan 0.000 0.486 569 H N -0.269 118.632 119.070 -0.281 0.000 2.321 569 H HA -0.086 4.473 4.556 0.005 0.000 0.300 569 H C 1.842 176.973 175.328 -0.327 0.000 1.087 569 H CA 1.718 57.501 56.048 -0.441 0.000 1.319 569 H CB -0.449 28.804 29.762 -0.849 0.000 1.379 569 H HN 0.441 nan 8.280 nan 0.000 0.501 570 F N 0.546 120.476 119.950 -0.032 0.000 2.259 570 F HA -0.105 4.425 4.527 0.005 0.000 0.298 570 F C 2.570 178.316 175.800 -0.091 0.000 1.088 570 F CA 1.149 59.066 58.000 -0.137 0.000 1.358 570 F CB -0.331 38.407 39.000 -0.437 0.000 1.040 570 F HN 0.136 nan 8.300 nan 0.000 0.505 571 T N -2.083 112.512 114.554 0.068 0.000 3.129 571 T HA 0.155 4.508 4.350 0.005 0.000 0.251 571 T C 1.008 175.738 174.700 0.049 0.000 1.117 571 T CA 0.210 62.373 62.100 0.105 0.000 1.034 571 T CB -0.466 68.544 68.868 0.237 0.000 0.968 571 T HN 0.365 nan 8.240 nan 0.000 0.526 572 L N -0.849 120.396 121.223 0.037 0.000 4.759 572 L HA -0.229 4.114 4.340 0.005 0.000 0.419 572 L C 1.205 178.128 176.870 0.089 0.000 1.093 572 L CA 1.204 56.036 54.840 -0.013 0.000 1.037 572 L CB -2.193 39.707 42.059 -0.266 0.000 2.095 572 L HN 0.367 nan 8.230 nan 0.000 0.739 573 E N -0.855 119.457 120.200 0.187 0.000 2.400 573 E HA -0.076 4.277 4.350 0.005 0.000 0.195 573 E C 1.625 178.376 176.600 0.251 0.000 1.012 573 E CA 0.576 57.166 56.400 0.317 0.000 0.875 573 E CB 0.053 29.958 29.700 0.341 0.000 0.859 573 E HN 0.582 nan 8.360 nan 0.000 0.498 574 Y N 2.161 122.485 120.300 0.039 0.000 2.040 574 Y HA -0.233 4.320 4.550 0.005 0.000 0.275 574 Y C -0.892 174.982 175.900 -0.043 0.000 1.171 574 Y CA 2.198 60.264 58.100 -0.056 0.000 1.123 574 Y CB -0.987 37.332 38.460 -0.236 0.000 0.963 574 Y HN 0.055 nan 8.280 nan 0.000 0.493 575 P HA -0.185 nan 4.420 nan 0.000 0.213 575 P C 1.117 178.305 177.300 -0.188 0.000 1.170 575 P CA 2.299 65.402 63.100 0.004 0.000 0.902 575 P CB -0.043 31.683 31.700 0.043 0.000 0.789 576 N N -1.410 117.087 118.700 -0.338 0.000 2.309 576 N HA -0.119 4.624 4.740 0.005 0.000 0.182 576 N C 1.610 176.882 175.510 -0.396 0.000 1.018 576 N CA 0.980 53.646 53.050 -0.639 0.000 0.876 576 N CB -0.716 36.831 38.487 -1.567 0.000 0.972 576 N HN 0.109 nan 8.380 nan 0.000 0.434 577 M N 0.168 119.695 119.600 -0.120 0.000 2.099 577 M HA 0.016 4.499 4.480 0.005 0.000 0.262 577 M C 1.699 177.913 176.300 -0.143 0.000 1.067 577 M CA 1.212 56.530 55.300 0.029 0.000 1.124 577 M CB -0.119 32.495 32.600 0.022 0.000 1.353 577 M HN -0.052 nan 8.290 nan 0.000 0.410 578 M N -0.426 118.998 119.600 -0.295 0.000 2.159 578 M HA -0.150 4.333 4.480 0.005 0.000 0.263 578 M C 2.171 178.395 176.300 -0.127 0.000 1.063 578 M CA 1.714 56.851 55.300 -0.271 0.000 1.110 578 M CB -1.239 31.137 32.600 -0.374 0.000 1.374 578 M HN 0.309 nan 8.290 nan 0.000 0.411 579 R N -0.635 119.784 120.500 -0.135 0.000 2.075 579 R HA -0.146 4.197 4.340 0.005 0.000 0.232 579 R C 2.318 178.596 176.300 -0.036 0.000 1.126 579 R CA 1.234 57.284 56.100 -0.083 0.000 0.963 579 R CB -0.364 29.858 30.300 -0.129 0.000 0.858 579 R HN 0.169 nan 8.270 nan 0.000 0.435 580 R N 1.449 121.913 120.500 -0.059 0.000 2.073 580 R HA -0.052 4.291 4.340 0.005 0.000 0.234 580 R C 2.009 178.281 176.300 -0.047 0.000 1.134 580 R CA 1.482 57.563 56.100 -0.031 0.000 0.952 580 R CB -0.683 29.637 30.300 0.033 0.000 0.850 580 R HN 0.183 nan 8.270 nan 0.000 0.433 581 L N -0.099 121.096 121.223 -0.047 0.000 2.131 581 L HA -0.188 4.155 4.340 0.005 0.000 0.210 581 L C 2.661 179.495 176.870 -0.061 0.000 1.092 581 L CA 1.628 56.435 54.840 -0.056 0.000 0.759 581 L CB -0.816 41.207 42.059 -0.060 0.000 0.903 581 L HN 0.448 nan 8.230 nan 0.000 0.435 582 H N 1.433 120.431 119.070 -0.120 0.000 2.326 582 H HA -0.164 4.395 4.556 0.006 0.000 0.301 582 H C 1.941 177.134 175.328 -0.224 0.000 1.081 582 H CA 1.888 57.861 56.048 -0.125 0.000 1.334 582 H CB 0.243 29.949 29.762 -0.093 0.000 1.385 582 H HN 0.553 nan 8.280 nan 0.000 0.504 583 E N 0.546 120.618 120.200 -0.213 0.000 2.338 583 E HA -0.099 4.254 4.350 0.005 0.000 0.197 583 E C 1.926 178.220 176.600 -0.510 0.000 1.007 583 E CA 0.610 56.805 56.400 -0.342 0.000 0.849 583 E CB -0.178 29.441 29.700 -0.134 0.000 0.774 583 E HN 0.444 nan 8.360 nan 0.000 0.506 584 L N 0.487 121.497 121.223 -0.356 0.000 2.592 584 L HA 0.104 4.447 4.340 0.005 0.000 0.227 584 L C -0.056 176.703 176.870 -0.184 0.000 1.127 584 L CA -0.132 54.566 54.840 -0.237 0.000 0.884 584 L CB -0.462 41.535 42.059 -0.103 0.000 1.065 584 L HN 0.215 nan 8.230 nan 0.000 0.457 585 H N -1.536 117.455 119.070 -0.132 0.000 2.826 585 H HA -0.106 4.453 4.556 0.005 0.000 0.306 585 H C -0.106 175.175 175.328 -0.077 0.000 1.235 585 H CA 0.114 56.085 56.048 -0.129 0.000 1.150 585 H CB -2.076 27.625 29.762 -0.102 0.000 1.409 585 H HN 0.044 nan 8.280 nan 0.000 0.420 586 V N 1.047 120.955 119.914 -0.010 0.000 2.432 586 V HA 0.070 4.193 4.120 0.005 0.000 0.271 586 V C 1.060 177.155 176.094 0.002 0.000 1.046 586 V CA -0.050 62.248 62.300 -0.005 0.000 0.945 586 V CB 1.808 33.613 31.823 -0.029 0.000 0.992 586 V HN 0.328 nan 8.190 nan 0.000 0.471 587 E N 4.297 124.502 120.200 0.007 0.000 2.313 587 E HA 0.328 4.682 4.350 0.005 0.000 0.276 587 E C -0.620 175.978 176.600 -0.004 0.000 1.031 587 E CA -0.433 55.972 56.400 0.008 0.000 0.857 587 E CB 0.883 30.586 29.700 0.005 0.000 1.040 587 E HN 0.742 nan 8.360 nan 0.000 0.408 588 E N 3.695 123.898 120.200 0.005 0.000 2.210 588 E HA 0.329 4.683 4.350 0.005 0.000 0.266 588 E C -0.819 175.784 176.600 0.005 0.000 0.883 588 E CA -0.532 55.869 56.400 0.002 0.000 0.761 588 E CB 1.803 31.511 29.700 0.013 0.000 1.156 588 E HN 0.392 nan 8.360 nan 0.000 0.412 589 L N 3.143 124.360 121.223 -0.010 0.000 2.435 589 L HA 0.389 4.732 4.340 0.005 0.000 0.253 589 L C 0.336 177.249 176.870 0.072 0.000 1.087 589 L CA -0.501 54.322 54.840 -0.028 0.000 0.950 589 L CB 0.826 42.789 42.059 -0.160 0.000 1.304 589 L HN 0.633 nan 8.230 nan 0.000 0.453 590 G N -0.177 108.700 108.800 0.130 0.000 2.599 590 G HA2 0.165 4.129 3.960 0.005 0.000 0.264 590 G HA3 0.165 4.129 3.960 0.005 0.000 0.264 590 G C 0.119 175.153 174.900 0.225 0.000 1.200 590 G CA -0.224 44.970 45.100 0.157 0.000 0.896 590 G HN 0.704 nan 8.290 nan 0.000 0.536 591 D N -1.097 119.372 120.400 0.115 0.000 2.911 591 D HA -0.142 4.501 4.640 0.005 0.000 0.227 591 D C -0.002 176.143 176.300 -0.259 0.000 1.164 591 D CA 1.548 55.518 54.000 -0.050 0.000 0.782 591 D CB -1.283 39.545 40.800 0.046 0.000 1.094 591 D HN 0.581 nan 8.370 nan 0.000 0.425 592 H N -1.747 117.247 119.070 -0.128 0.000 2.768 592 H HA 0.672 5.231 4.556 0.005 0.000 0.371 592 H C -0.614 174.603 175.328 -0.186 0.000 1.151 592 H CA -0.611 55.309 56.048 -0.214 0.000 1.165 592 H CB 1.414 31.080 29.762 -0.160 0.000 1.722 592 H HN -0.056 nan 8.280 nan 0.000 0.543 593 F N 0.256 119.835 119.950 -0.617 0.000 2.764 593 F HA 0.564 5.094 4.527 0.005 0.000 0.347 593 F C -0.884 174.557 175.800 -0.599 0.000 1.151 593 F CA -1.347 56.313 58.000 -0.566 0.000 1.021 593 F CB 1.417 40.121 39.000 -0.492 0.000 1.438 593 F HN 0.597 nan 8.300 nan 0.000 0.516 594 C N 1.597 120.253 119.300 -1.073 0.000 2.351 594 C HA 0.585 5.048 4.460 0.005 0.000 0.326 594 C C 0.954 175.851 174.990 -0.155 0.000 1.272 594 C CA 0.358 59.034 59.018 -0.570 0.000 1.650 594 C CB -0.004 27.358 27.740 -0.630 0.000 2.257 594 C HN 0.811 nan 8.230 nan 0.000 0.505 595 S N 4.144 119.890 115.700 0.075 0.000 2.483 595 S HA 0.218 4.691 4.470 0.005 0.000 0.221 595 S C 0.330 174.922 174.600 -0.012 0.000 1.030 595 S CA -0.225 58.054 58.200 0.132 0.000 0.925 595 S CB -0.011 63.292 63.200 0.171 0.000 0.795 595 S HN 0.949 nan 8.310 nan 0.000 0.511 596 R N -0.248 120.199 120.500 -0.089 0.000 2.687 596 R HA 0.643 4.986 4.340 0.005 0.000 0.265 596 R C -2.151 174.140 176.300 -0.015 0.000 1.048 596 R CA -0.873 55.202 56.100 -0.041 0.000 0.884 596 R CB 0.544 30.849 30.300 0.009 0.000 1.258 596 R HN 0.188 nan 8.270 nan 0.000 0.469 597 I N 1.078 121.700 120.570 0.087 0.000 2.569 597 I HA 0.464 4.637 4.170 0.005 0.000 0.296 597 I C -0.251 176.005 176.117 0.232 0.000 1.028 597 I CA -0.828 60.580 61.300 0.181 0.000 1.082 597 I CB 2.362 40.445 38.000 0.138 0.000 1.264 597 I HN 0.616 nan 8.210 nan 0.000 0.429 598 E N 4.935 125.306 120.200 0.286 0.000 2.410 598 E HA 0.446 4.800 4.350 0.005 0.000 0.269 598 E C -2.610 174.057 176.600 0.111 0.000 0.937 598 E CA -2.122 54.386 56.400 0.180 0.000 0.793 598 E CB 2.228 32.019 29.700 0.152 0.000 1.314 598 E HN 0.241 nan 8.360 nan 0.000 0.447 599 P HA 0.065 nan 4.420 nan 0.000 0.267 599 P C 0.234 177.422 177.300 -0.188 0.000 1.209 599 P CA 0.879 63.971 63.100 -0.014 0.000 0.763 599 P CB 0.381 32.073 31.700 -0.015 0.000 0.816 600 G N 2.740 111.278 108.800 -0.435 0.000 2.168 600 G HA2 -0.261 3.702 3.960 0.005 0.000 0.263 600 G HA3 -0.261 3.702 3.960 0.005 0.000 0.263 600 G C 0.040 174.296 174.900 -1.072 0.000 0.977 600 G CA 0.371 44.970 45.100 -0.835 0.000 0.659 600 G HN 0.812 nan 8.290 nan 0.000 0.533 601 R N -1.546 118.439 120.500 -0.858 0.000 2.687 601 R HA 0.717 5.060 4.340 0.005 0.000 0.265 601 R C -0.599 175.891 176.300 0.317 0.000 1.048 601 R CA -0.749 55.218 56.100 -0.221 0.000 0.884 601 R CB 0.745 31.050 30.300 0.009 0.000 1.258 601 R HN 0.798 nan 8.270 nan 0.000 0.469 602 M N -0.360 119.506 119.600 0.444 0.000 2.484 602 M HA 0.515 4.998 4.480 0.005 0.000 0.289 602 M C -1.337 174.884 176.300 -0.132 0.000 1.206 602 M CA -0.851 54.601 55.300 0.254 0.000 0.892 602 M CB 2.735 35.470 32.600 0.224 0.000 1.712 602 M HN 0.751 nan 8.290 nan 0.000 0.462 603 E N 3.708 123.518 120.200 -0.650 0.000 2.146 603 E HA 0.638 4.991 4.350 0.005 0.000 0.282 603 E C -1.288 175.099 176.600 -0.354 0.000 0.989 603 E CA -0.710 55.117 56.400 -0.955 0.000 0.799 603 E CB 1.206 30.049 29.700 -1.427 0.000 1.088 603 E HN 0.736 nan 8.360 nan 0.000 0.397 604 I N 1.510 121.951 120.570 -0.215 0.000 2.910 604 I HA 0.677 4.850 4.170 0.005 0.000 0.310 604 I C -1.171 174.958 176.117 0.021 0.000 1.043 604 I CA -1.159 60.066 61.300 -0.125 0.000 1.053 604 I CB 1.521 39.439 38.000 -0.136 0.000 1.242 604 I HN 0.525 nan 8.210 nan 0.000 0.452 605 Y N 0.521 120.807 120.300 -0.024 0.000 2.597 605 Y HA 0.487 5.040 4.550 0.005 0.000 0.340 605 Y C -1.105 174.687 175.900 -0.179 0.000 1.097 605 Y CA -1.288 56.703 58.100 -0.182 0.000 1.037 605 Y CB 0.701 38.857 38.460 -0.507 0.000 1.305 605 Y HN 0.673 nan 8.280 nan 0.000 0.463 606 N N 2.988 121.568 118.700 -0.199 0.000 2.470 606 N HA 0.105 4.848 4.740 0.005 0.000 0.268 606 N C 1.004 176.376 175.510 -0.230 0.000 1.136 606 N CA -0.049 52.682 53.050 -0.532 0.000 0.961 606 N CB 1.078 39.362 38.487 -0.339 0.000 1.067 606 N HN 1.000 nan 8.380 nan 0.000 0.468 607 I N 0.342 120.652 120.570 -0.433 0.000 2.916 607 I HA -0.008 4.165 4.170 0.005 0.000 0.267 607 I C 0.166 175.955 176.117 -0.546 0.000 1.263 607 I CA 0.643 61.663 61.300 -0.466 0.000 1.471 607 I CB -0.185 37.367 38.000 -0.746 0.000 1.089 607 I HN 0.402 nan 8.210 nan 0.000 0.468 608 W N 1.417 122.697 121.300 -0.032 0.000 2.937 608 W HA 0.493 5.156 4.660 0.006 0.000 0.435 608 W C 1.858 178.363 176.519 -0.022 0.000 0.912 608 W CA -0.480 56.851 57.345 -0.022 0.000 2.209 608 W CB 0.634 30.076 29.460 -0.030 0.000 1.144 608 W HN 0.037 nan 8.180 nan 0.000 0.762 609 G N -0.306 108.565 108.800 0.118 0.000 2.712 609 G HA2 -0.089 3.874 3.960 0.005 0.000 0.212 609 G HA3 -0.089 3.874 3.960 0.005 0.000 0.212 609 G C 0.422 175.358 174.900 0.060 0.000 1.142 609 G CA 0.032 45.170 45.100 0.064 0.000 0.789 609 G HN 0.081 nan 8.290 nan 0.000 0.535 610 D N 0.622 121.067 120.400 0.076 0.000 2.360 610 D HA 0.299 4.943 4.640 0.005 0.000 0.242 610 D C 0.848 177.190 176.300 0.069 0.000 1.184 610 D CA 0.034 54.069 54.000 0.059 0.000 0.930 610 D CB 1.360 42.195 40.800 0.058 0.000 1.161 610 D HN 0.074 nan 8.370 nan 0.000 0.447 611 G N -0.406 108.424 108.800 0.049 0.000 2.432 611 G HA2 0.110 4.073 3.960 0.005 0.000 0.239 611 G HA3 0.110 4.073 3.960 0.005 0.000 0.239 611 G C 1.119 176.046 174.900 0.046 0.000 1.291 611 G CA -0.208 44.917 45.100 0.043 0.000 0.863 611 G HN 0.384 nan 8.290 nan 0.000 0.560 612 S N 1.034 116.755 115.700 0.036 0.000 2.428 612 S HA 0.008 4.482 4.470 0.005 0.000 0.230 612 S C 0.935 175.548 174.600 0.021 0.000 1.014 612 S CA 0.635 58.850 58.200 0.025 0.000 0.957 612 S CB 0.045 63.249 63.200 0.008 0.000 0.784 612 S HN 0.520 nan 8.310 nan 0.000 0.499 613 K N 1.785 122.198 120.400 0.021 0.000 2.234 613 K HA 0.322 4.645 4.320 0.005 0.000 0.282 613 K C -0.187 176.428 176.600 0.026 0.000 1.039 613 K CA -0.408 55.891 56.287 0.020 0.000 0.928 613 K CB 0.998 33.508 32.500 0.017 0.000 1.039 613 K HN 0.188 nan 8.250 nan 0.000 0.470 614 R N 2.276 122.794 120.500 0.030 0.000 2.294 614 R HA 0.253 4.596 4.340 0.005 0.000 0.319 614 R C -1.124 175.204 176.300 0.046 0.000 0.984 614 R CA -0.128 55.996 56.100 0.040 0.000 0.861 614 R CB 1.055 31.382 30.300 0.044 0.000 1.104 614 R HN 0.537 nan 8.270 nan 0.000 0.451 615 T N 3.990 118.573 114.554 0.049 0.000 2.916 615 T HA 0.127 4.480 4.350 0.005 0.000 0.298 615 T C -1.347 173.400 174.700 0.079 0.000 1.031 615 T CA -0.473 61.663 62.100 0.060 0.000 0.993 615 T CB 0.960 69.846 68.868 0.029 0.000 1.045 615 T HN 0.514 nan 8.240 nan 0.000 0.454 616 Y N 3.415 123.719 120.300 0.007 0.000 2.531 616 Y HA 0.227 4.780 4.550 0.005 0.000 0.347 616 Y C 1.183 177.087 175.900 0.007 0.000 1.024 616 Y CA 0.024 58.128 58.100 0.007 0.000 1.306 616 Y CB 0.188 38.651 38.460 0.006 0.000 1.149 616 Y HN 0.550 nan 8.280 nan 0.000 0.527 617 R N 4.443 124.620 120.500 -0.538 0.000 2.546 617 R HA 0.311 4.654 4.340 0.005 0.000 0.320 617 R C 0.513 176.497 176.300 -0.527 0.000 1.021 617 R CA 0.201 56.062 56.100 -0.399 0.000 1.088 617 R CB 0.426 30.608 30.300 -0.197 0.000 1.278 617 R HN 0.946 nan 8.270 nan 0.000 0.557 618 G N 2.756 110.903 108.800 -1.087 0.000 2.795 618 G HA2 -0.199 3.764 3.960 0.005 0.000 0.664 618 G HA3 -0.199 3.764 3.960 0.005 0.000 0.664 618 G C -2.631 172.085 174.900 -0.307 0.000 1.381 618 G CA -1.114 43.612 45.100 -0.624 0.000 0.853 618 G HN 0.063 nan 8.290 nan 0.000 0.545 619 P HA 0.409 nan 4.420 nan 0.000 0.272 619 P C 1.135 178.408 177.300 -0.045 0.000 1.223 619 P CA 1.593 64.672 63.100 -0.034 0.000 0.784 619 P CB 0.869 32.579 31.700 0.016 0.000 0.923 620 G N 0.303 109.087 108.800 -0.028 0.000 2.225 620 G HA2 -0.205 3.758 3.960 0.005 0.000 0.254 620 G HA3 -0.205 3.758 3.960 0.005 0.000 0.254 620 G C -0.185 174.694 174.900 -0.036 0.000 0.988 620 G CA 0.150 45.235 45.100 -0.025 0.000 0.625 620 G HN 0.728 nan 8.290 nan 0.000 0.527 621 V N 0.817 120.696 119.914 -0.057 0.000 2.656 621 V HA 0.779 4.902 4.120 0.005 0.000 0.307 621 V C 0.675 176.734 176.094 -0.059 0.000 1.051 621 V CA 0.217 62.482 62.300 -0.059 0.000 0.893 621 V CB 1.808 33.585 31.823 -0.076 0.000 0.999 621 V HN 0.939 nan 8.190 nan 0.000 0.426 622 S N 7.148 122.825 115.700 -0.037 0.000 2.562 622 S HA 0.311 4.784 4.470 0.005 0.000 0.281 622 S C -1.353 173.229 174.600 -0.029 0.000 1.333 622 S CA -0.495 57.691 58.200 -0.023 0.000 1.052 622 S CB 1.102 64.294 63.200 -0.012 0.000 0.884 622 S HN 0.791 nan 8.310 nan 0.000 0.506 623 P HA 0.107 nan 4.420 nan 0.000 0.249 623 P C -0.315 176.991 177.300 0.010 0.000 1.241 623 P CA 0.306 63.403 63.100 -0.004 0.000 0.781 623 P CB 0.120 31.841 31.700 0.035 0.000 1.088 624 R N -0.206 120.300 120.500 0.010 0.000 2.837 624 R HA 0.360 4.704 4.340 0.005 0.000 0.271 624 R C -0.479 175.829 176.300 0.012 0.000 0.993 624 R CA -0.983 55.128 56.100 0.018 0.000 0.931 624 R CB 1.014 31.332 30.300 0.031 0.000 1.206 624 R HN -0.116 nan 8.270 nan 0.000 0.474 625 D N 1.242 121.651 120.400 0.016 0.000 2.423 625 D HA 0.101 4.744 4.640 0.005 0.000 0.238 625 D C 0.157 176.468 176.300 0.019 0.000 1.142 625 D CA 0.339 54.349 54.000 0.016 0.000 0.884 625 D CB 0.721 41.533 40.800 0.020 0.000 1.199 625 D HN 0.560 nan 8.370 nan 0.000 0.438 626 A N 2.301 125.132 122.820 0.017 0.000 2.507 626 A HA -0.010 4.314 4.320 0.005 0.000 0.235 626 A C 0.671 178.276 177.584 0.034 0.000 1.070 626 A CA -0.178 51.872 52.037 0.022 0.000 0.768 626 A CB 0.081 19.095 19.000 0.024 0.000 1.011 626 A HN 0.496 nan 8.150 nan 0.000 0.502 627 N N 0.704 119.424 118.700 0.033 0.000 2.430 627 N HA 0.168 4.911 4.740 0.005 0.000 0.265 627 N C 0.570 176.127 175.510 0.078 0.000 1.100 627 N CA 0.695 53.753 53.050 0.014 0.000 0.961 627 N CB 0.725 39.171 38.487 -0.069 0.000 1.075 627 N HN 0.651 nan 8.380 nan 0.000 0.478 628 T N -1.121 113.470 114.554 0.061 0.000 3.228 628 T HA 0.058 4.411 4.350 0.005 0.000 0.278 628 T C 1.085 175.839 174.700 0.089 0.000 1.014 628 T CA -0.224 61.958 62.100 0.136 0.000 0.904 628 T CB -0.549 68.379 68.868 0.100 0.000 1.110 628 T HN 0.339 nan 8.240 nan 0.000 0.541 629 S N 0.478 116.150 115.700 -0.047 0.000 2.603 629 S HA 0.043 4.516 4.470 0.005 0.000 0.220 629 S C 0.610 175.190 174.600 -0.035 0.000 0.967 629 S CA -0.598 57.583 58.200 -0.032 0.000 0.920 629 S CB -0.865 62.313 63.200 -0.037 0.000 0.773 629 S HN 0.664 nan 8.310 nan 0.000 0.529 630 H N 3.280 122.402 119.070 0.086 0.000 3.001 630 H HA 0.288 4.847 4.556 0.006 0.000 0.334 630 H C 0.779 176.122 175.328 0.026 0.000 1.034 630 H CA 0.599 56.676 56.048 0.048 0.000 1.420 630 H CB 0.280 30.036 29.762 -0.009 0.000 1.405 630 H HN 0.586 nan 8.280 nan 0.000 0.593 631 R N 1.634 122.172 120.500 0.063 0.000 2.663 631 R HA 0.289 4.632 4.340 0.005 0.000 0.267 631 R C -1.956 174.318 176.300 -0.044 0.000 1.038 631 R CA -0.996 55.150 56.100 0.076 0.000 0.886 631 R CB 1.023 31.383 30.300 0.101 0.000 1.249 631 R HN 0.304 nan 8.270 nan 0.000 0.463 632 W N 3.044 124.382 121.300 0.063 0.000 2.438 632 W HA 0.598 5.261 4.660 0.005 0.000 0.324 632 W C 0.291 176.825 176.519 0.025 0.000 1.119 632 W CA -0.577 56.794 57.345 0.044 0.000 1.221 632 W CB 1.246 30.720 29.460 0.023 0.000 1.253 632 W HN 0.588 nan 8.180 nan 0.000 0.555 633 I N -1.041 119.669 120.570 0.234 0.000 2.730 633 I HA 0.590 4.763 4.170 0.005 0.000 0.298 633 I C -0.416 175.804 176.117 0.172 0.000 1.089 633 I CA -1.261 60.132 61.300 0.155 0.000 1.041 633 I CB 2.134 40.186 38.000 0.086 0.000 1.235 633 I HN 0.346 nan 8.210 nan 0.000 0.423 634 E N 3.800 124.059 120.200 0.097 0.000 2.280 634 E HA 0.673 5.026 4.350 0.005 0.000 0.264 634 E C -1.440 175.217 176.600 0.095 0.000 1.064 634 E CA -0.587 55.809 56.400 -0.007 0.000 0.900 634 E CB 1.945 31.615 29.700 -0.049 0.000 1.123 634 E HN 0.572 nan 8.360 nan 0.000 0.418 635 F N -1.554 118.412 119.950 0.028 0.000 2.693 635 F HA 0.369 4.900 4.527 0.005 0.000 0.309 635 F C -0.370 175.439 175.800 0.014 0.000 1.129 635 F CA -0.988 57.020 58.000 0.014 0.000 0.948 635 F CB 0.791 39.793 39.000 0.003 0.000 1.315 635 F HN 0.192 nan 8.300 nan 0.000 0.447 636 D N 0.546 121.135 120.400 0.315 0.000 2.259 636 D HA 0.166 4.809 4.640 0.005 0.000 0.216 636 D C -0.119 176.383 176.300 0.336 0.000 0.961 636 D CA 1.113 55.242 54.000 0.215 0.000 0.878 636 D CB 0.569 41.450 40.800 0.135 0.000 1.009 636 D HN 0.396 nan 8.370 nan 0.000 0.490 637 S N 0.006 115.893 115.700 0.312 0.000 2.547 637 S HA 0.481 4.954 4.470 0.005 0.000 0.281 637 S C -1.224 173.266 174.600 -0.183 0.000 1.118 637 S CA -0.706 57.564 58.200 0.117 0.000 0.947 637 S CB 2.549 65.756 63.200 0.012 0.000 1.053 637 S HN 0.055 nan 8.310 nan 0.000 0.482 638 L N 3.904 124.849 121.223 -0.463 0.000 2.305 638 L HA 0.695 5.038 4.340 0.005 0.000 0.284 638 L C -1.230 175.423 176.870 -0.361 0.000 1.013 638 L CA -0.434 53.982 54.840 -0.706 0.000 0.819 638 L CB 1.215 42.554 42.059 -1.201 0.000 1.227 638 L HN 0.453 nan 8.230 nan 0.000 0.417 639 V N 6.724 126.462 119.914 -0.293 0.000 2.370 639 V HA 0.358 4.481 4.120 0.005 0.000 0.279 639 V C 0.151 176.122 176.094 -0.204 0.000 1.029 639 V CA -0.490 61.676 62.300 -0.223 0.000 0.870 639 V CB 1.255 32.947 31.823 -0.219 0.000 0.984 639 V HN 0.598 nan 8.190 nan 0.000 0.451 640 L N 5.814 126.942 121.223 -0.159 0.000 2.260 640 L HA 0.449 4.792 4.340 0.005 0.000 0.289 640 L C -0.185 176.627 176.870 -0.096 0.000 1.057 640 L CA -0.289 54.491 54.840 -0.100 0.000 0.811 640 L CB 1.292 43.329 42.059 -0.037 0.000 1.184 640 L HN 0.423 nan 8.230 nan 0.000 0.429 641 V N 1.729 121.590 119.914 -0.088 0.000 2.454 641 V HA 0.057 4.180 4.120 0.005 0.000 0.255 641 V C 1.065 177.236 176.094 0.128 0.000 1.009 641 V CA 0.043 62.264 62.300 -0.132 0.000 1.149 641 V CB 0.512 32.150 31.823 -0.308 0.000 1.418 641 V HN 0.925 nan 8.190 nan 0.000 0.567 642 T N -2.197 112.503 114.554 0.243 0.000 3.057 642 T HA 0.542 4.895 4.350 0.005 0.000 0.254 642 T C 0.860 175.717 174.700 0.262 0.000 1.094 642 T CA 0.666 62.920 62.100 0.257 0.000 1.088 642 T CB 0.873 69.883 68.868 0.236 0.000 0.934 642 T HN 1.068 nan 8.240 nan 0.000 0.497 643 G N 0.131 109.144 108.800 0.355 0.000 2.356 643 G HA2 0.423 4.386 3.960 0.005 0.000 0.300 643 G HA3 0.423 4.386 3.960 0.005 0.000 0.300 643 G C -1.867 172.936 174.900 -0.162 0.000 1.331 643 G CA -1.232 43.926 45.100 0.096 0.000 0.905 643 G HN 0.359 nan 8.290 nan 0.000 0.587 644 R N -0.301 119.968 120.500 -0.386 0.000 2.892 644 R HA 0.697 5.041 4.340 0.005 0.000 0.265 644 R C -0.720 175.437 176.300 -0.238 0.000 1.025 644 R CA -1.015 54.763 56.100 -0.537 0.000 0.982 644 R CB 2.009 31.778 30.300 -0.885 0.000 1.185 644 R HN 0.866 nan 8.270 nan 0.000 0.484 645 H N -1.719 117.225 119.070 -0.210 0.000 2.851 645 H HA 0.376 4.935 4.556 0.005 0.000 0.372 645 H C -1.187 174.070 175.328 -0.117 0.000 1.158 645 H CA -0.829 55.147 56.048 -0.120 0.000 1.159 645 H CB 1.515 31.242 29.762 -0.059 0.000 1.757 645 H HN 0.345 nan 8.280 nan 0.000 0.546 646 S N 1.560 117.264 115.700 0.006 0.000 2.549 646 S HA -0.032 4.442 4.470 0.005 0.000 0.283 646 S C 0.492 175.133 174.600 0.069 0.000 1.320 646 S CA -0.248 57.936 58.200 -0.026 0.000 1.058 646 S CB 0.518 63.707 63.200 -0.017 0.000 0.882 646 S HN 0.629 nan 8.310 nan 0.000 0.498 647 E N 1.820 122.030 120.200 0.017 0.000 1.936 647 E HA 0.216 4.569 4.350 0.005 0.000 0.267 647 E C -0.010 176.636 176.600 0.076 0.000 1.076 647 E CA -0.759 55.684 56.400 0.072 0.000 0.870 647 E CB -0.678 29.040 29.700 0.030 0.000 1.093 647 E HN 0.656 nan 8.360 nan 0.000 0.411 648 C N 1.871 121.239 119.300 0.113 0.000 2.859 648 C HA 0.413 4.876 4.460 0.005 0.000 0.256 648 C C 1.370 176.486 174.990 0.210 0.000 1.660 648 C CA -0.279 58.836 59.018 0.163 0.000 1.755 648 C CB -0.948 26.883 27.740 0.153 0.000 3.127 648 C HN 0.515 nan 8.230 nan 0.000 0.494 649 T N 1.433 116.074 114.554 0.145 0.000 2.708 649 T HA -0.160 4.193 4.350 0.005 0.000 0.266 649 T C 1.871 176.641 174.700 0.116 0.000 1.037 649 T CA 1.703 63.872 62.100 0.115 0.000 1.146 649 T CB -0.206 68.712 68.868 0.082 0.000 0.865 649 T HN 0.626 nan 8.240 nan 0.000 0.435 650 L N 0.194 121.489 121.223 0.120 0.000 1.990 650 L HA -0.152 4.192 4.340 0.005 0.000 0.213 650 L C 2.534 179.484 176.870 0.133 0.000 1.072 650 L CA 1.853 56.754 54.840 0.102 0.000 0.755 650 L CB -0.427 41.688 42.059 0.094 0.000 0.889 650 L HN 0.577 nan 8.230 nan 0.000 0.432 651 W N 1.172 122.488 121.300 0.026 0.000 2.335 651 W HA -0.276 4.387 4.660 0.006 0.000 0.311 651 W C 2.178 178.741 176.519 0.074 0.000 1.213 651 W CA 1.772 59.143 57.345 0.043 0.000 1.274 651 W CB -0.487 28.997 29.460 0.040 0.000 1.148 651 W HN 0.327 nan 8.180 nan 0.000 0.498 652 N N 0.790 119.527 118.700 0.060 0.000 2.166 652 N HA -0.192 4.551 4.740 0.005 0.000 0.186 652 N C 1.586 177.035 175.510 -0.102 0.000 1.019 652 N CA 1.995 55.015 53.050 -0.051 0.000 0.856 652 N CB -0.730 37.806 38.487 0.082 0.000 0.993 652 N HN 0.452 nan 8.380 nan 0.000 0.426 653 E N 0.666 120.841 120.200 -0.041 0.000 2.047 653 E HA -0.054 4.299 4.350 0.005 0.000 0.191 653 E C 2.143 178.720 176.600 -0.039 0.000 0.987 653 E CA 0.535 56.917 56.400 -0.029 0.000 0.799 653 E CB -0.114 29.588 29.700 0.004 0.000 0.752 653 E HN 0.257 nan 8.360 nan 0.000 0.449 654 L N 0.985 122.179 121.223 -0.048 0.000 2.042 654 L HA -0.215 4.128 4.340 0.005 0.000 0.210 654 L C 2.550 179.487 176.870 0.112 0.000 1.076 654 L CA 0.967 55.831 54.840 0.041 0.000 0.749 654 L CB -0.338 41.681 42.059 -0.067 0.000 0.893 654 L HN 0.027 nan 8.230 nan 0.000 0.432 655 K N 0.068 120.333 120.400 -0.225 0.000 2.057 655 K HA -0.087 4.236 4.320 0.005 0.000 0.206 655 K C 2.170 178.617 176.600 -0.255 0.000 1.050 655 K CA 1.428 57.519 56.287 -0.328 0.000 0.935 655 K CB -0.355 31.794 32.500 -0.586 0.000 0.715 655 K HN 0.274 nan 8.250 nan 0.000 0.439 656 A N 1.295 124.012 122.820 -0.171 0.000 1.940 656 A HA -0.153 4.170 4.320 0.005 0.000 0.219 656 A C 1.580 179.083 177.584 -0.136 0.000 1.176 656 A CA 1.270 53.229 52.037 -0.130 0.000 0.631 656 A CB -0.287 18.667 19.000 -0.078 0.000 0.814 656 A HN 0.281 nan 8.150 nan 0.000 0.446 657 R N -0.322 120.124 120.500 -0.091 0.000 2.978 657 R HA 0.172 4.515 4.340 0.005 0.000 0.298 657 R C 1.058 177.253 176.300 -0.175 0.000 1.296 657 R CA 0.205 56.264 56.100 -0.068 0.000 1.181 657 R CB -0.021 30.296 30.300 0.028 0.000 1.348 657 R HN 0.726 nan 8.270 nan 0.000 0.585 658 E N 1.120 121.015 120.200 -0.509 0.000 2.153 658 E HA -0.180 4.173 4.350 0.005 0.000 0.194 658 E C 1.383 177.450 176.600 -0.887 0.000 0.988 658 E CA 1.620 57.217 56.400 -1.338 0.000 0.811 658 E CB 0.228 29.157 29.700 -1.285 0.000 0.746 658 E HN 0.366 nan 8.360 nan 0.000 0.466 659 S N 0.386 115.832 115.700 -0.424 0.000 2.419 659 S HA -0.172 4.301 4.470 0.005 0.000 0.233 659 S C 1.507 176.037 174.600 -0.116 0.000 1.016 659 S CA 1.192 59.252 58.200 -0.232 0.000 0.974 659 S CB -0.251 62.859 63.200 -0.151 0.000 0.786 659 S HN 0.339 nan 8.310 nan 0.000 0.492 660 E N -0.144 120.021 120.200 -0.058 0.000 2.481 660 E HA -0.007 4.346 4.350 0.005 0.000 0.195 660 E C 1.162 177.884 176.600 0.203 0.000 1.047 660 E CA 0.229 56.670 56.400 0.068 0.000 0.867 660 E CB -0.116 29.636 29.700 0.086 0.000 0.858 660 E HN 0.606 nan 8.360 nan 0.000 0.513 661 W N 1.560 122.828 121.300 -0.054 0.000 2.333 661 W HA -0.132 4.531 4.660 0.005 0.000 0.316 661 W C 2.602 179.100 176.519 -0.036 0.000 1.215 661 W CA 0.925 58.238 57.345 -0.053 0.000 1.278 661 W CB -1.346 28.073 29.460 -0.069 0.000 1.154 661 W HN 0.092 nan 8.180 nan 0.000 0.486 662 A N 0.693 123.635 122.820 0.204 0.000 1.884 662 A HA -0.307 4.016 4.320 0.005 0.000 0.219 662 A C 1.866 179.496 177.584 0.076 0.000 1.197 662 A CA 2.483 54.586 52.037 0.109 0.000 0.637 662 A CB -1.111 17.924 19.000 0.059 0.000 0.827 662 A HN 0.476 nan 8.150 nan 0.000 0.450 663 E N -0.009 120.229 120.200 0.063 0.000 2.147 663 E HA -0.198 4.155 4.350 0.005 0.000 0.199 663 E C 0.882 177.506 176.600 0.041 0.000 1.005 663 E CA 1.258 57.684 56.400 0.042 0.000 0.810 663 E CB -0.349 29.372 29.700 0.036 0.000 0.736 663 E HN 0.634 nan 8.360 nan 0.000 0.460 664 N N 1.036 119.770 118.700 0.056 0.000 2.314 664 N HA -0.035 4.708 4.740 0.005 0.000 0.200 664 N C -0.651 174.874 175.510 0.024 0.000 1.135 664 N CA 0.281 53.352 53.050 0.034 0.000 0.835 664 N CB 0.491 38.997 38.487 0.032 0.000 0.989 664 N HN 0.089 nan 8.380 nan 0.000 0.478 665 D N 0.746 121.167 120.400 0.036 0.000 2.837 665 D HA -0.180 4.463 4.640 0.005 0.000 0.230 665 D C -0.178 176.134 176.300 0.019 0.000 1.152 665 D CA 0.706 54.723 54.000 0.029 0.000 0.736 665 D CB -1.385 39.424 40.800 0.016 0.000 1.084 665 D HN 0.433 nan 8.370 nan 0.000 0.429 666 I N 0.679 121.263 120.570 0.023 0.000 2.301 666 I HA 0.062 4.236 4.170 0.005 0.000 0.292 666 I C 1.628 177.755 176.117 0.017 0.000 1.046 666 I CA -0.342 60.935 61.300 -0.039 0.000 1.282 666 I CB 1.081 38.986 38.000 -0.159 0.000 1.409 666 I HN -0.234 nan 8.210 nan 0.000 0.484 667 K N 4.071 124.474 120.400 0.006 0.000 2.217 667 K HA 0.161 4.484 4.320 0.005 0.000 0.202 667 K C 0.780 177.420 176.600 0.066 0.000 1.051 667 K CA 0.234 56.557 56.287 0.060 0.000 0.952 667 K CB 0.188 32.730 32.500 0.071 0.000 0.736 667 K HN 0.828 nan 8.250 nan 0.000 0.453 668 G N 0.141 108.880 108.800 -0.101 0.000 2.596 668 G HA2 0.443 4.406 3.960 0.005 0.000 0.296 668 G HA3 0.443 4.406 3.960 0.005 0.000 0.296 668 G C -1.743 172.673 174.900 -0.807 0.000 1.513 668 G CA -0.874 44.055 45.100 -0.284 0.000 0.851 668 G HN -0.012 nan 8.290 nan 0.000 0.548 669 I N 1.004 120.990 120.570 -0.973 0.000 2.466 669 I HA 0.444 4.617 4.170 0.005 0.000 0.289 669 I C -1.167 174.623 176.117 -0.545 0.000 1.026 669 I CA -0.868 59.926 61.300 -0.843 0.000 1.078 669 I CB 2.073 39.533 38.000 -0.901 0.000 1.249 669 I HN 0.416 nan 8.210 nan 0.000 0.429 670 Y N 5.574 125.962 120.300 0.145 0.000 2.485 670 Y HA 0.589 5.142 4.550 0.005 0.000 0.345 670 Y C -0.486 175.356 175.900 -0.095 0.000 0.998 670 Y CA -1.247 56.901 58.100 0.081 0.000 1.059 670 Y CB 1.589 40.047 38.460 -0.002 0.000 1.234 670 Y HN 0.334 nan 8.280 nan 0.000 0.461 671 L N 5.504 126.567 121.223 -0.266 0.000 2.296 671 L HA 0.714 5.058 4.340 0.005 0.000 0.286 671 L C -0.540 176.180 176.870 -0.250 0.000 1.023 671 L CA -0.659 53.873 54.840 -0.513 0.000 0.812 671 L CB 0.393 41.683 42.059 -1.282 0.000 1.223 671 L HN 0.662 nan 8.230 nan 0.000 0.421 672 I N 1.792 122.270 120.570 -0.154 0.000 3.239 672 I HA 1.007 5.180 4.170 0.005 0.000 0.314 672 I C 0.678 176.759 176.117 -0.059 0.000 1.126 672 I CA -0.377 60.874 61.300 -0.082 0.000 0.973 672 I CB 1.606 39.583 38.000 -0.040 0.000 1.252 672 I HN 0.841 nan 8.210 nan 0.000 0.463 673 G N 2.095 110.886 108.800 -0.013 0.000 2.564 673 G HA2 -0.271 3.692 3.960 0.005 0.000 0.273 673 G HA3 -0.271 3.692 3.960 0.005 0.000 0.273 673 G C 0.229 175.114 174.900 -0.025 0.000 1.242 673 G CA 0.694 45.799 45.100 0.008 0.000 0.951 673 G HN 0.861 nan 8.290 nan 0.000 0.564 674 D N 0.556 120.936 120.400 -0.033 0.000 2.263 674 D HA 0.054 4.697 4.640 0.005 0.000 0.208 674 D C 2.653 178.894 176.300 -0.097 0.000 0.971 674 D CA 1.766 55.715 54.000 -0.085 0.000 0.867 674 D CB -0.581 40.138 40.800 -0.136 0.000 0.929 674 D HN 0.806 nan 8.370 nan 0.000 0.492 675 A N 0.702 123.473 122.820 -0.083 0.000 2.015 675 A HA -0.168 4.155 4.320 0.005 0.000 0.219 675 A C 2.094 179.598 177.584 -0.133 0.000 1.163 675 A CA 1.250 53.233 52.037 -0.089 0.000 0.646 675 A CB -0.285 18.669 19.000 -0.076 0.000 0.806 675 A HN 0.225 nan 8.150 nan 0.000 0.448 676 E N -0.724 119.388 120.200 -0.146 0.000 2.060 676 E HA 0.292 4.645 4.350 0.005 0.000 0.189 676 E C 0.289 176.829 176.600 -0.099 0.000 0.974 676 E CA 0.794 57.093 56.400 -0.168 0.000 0.808 676 E CB 0.108 29.717 29.700 -0.151 0.000 0.768 676 E HN 0.507 nan 8.360 nan 0.000 0.453 677 A N 0.848 123.621 122.820 -0.078 0.000 2.547 677 A HA 0.422 4.745 4.320 0.005 0.000 0.298 677 A C -2.862 174.674 177.584 -0.079 0.000 1.062 677 A CA -1.212 50.785 52.037 -0.066 0.000 0.748 677 A CB 1.175 20.148 19.000 -0.044 0.000 1.288 677 A HN -0.074 nan 8.150 nan 0.000 0.396 678 P HA 0.259 nan 4.420 nan 0.000 0.264 678 P C -0.341 176.896 177.300 -0.105 0.000 1.193 678 P CA 0.537 63.542 63.100 -0.158 0.000 0.763 678 P CB 0.380 31.941 31.700 -0.232 0.000 0.810 679 R N 1.937 122.390 120.500 -0.079 0.000 2.885 679 R HA 0.556 4.899 4.340 0.005 0.000 0.260 679 R C -0.754 175.554 176.300 0.014 0.000 1.107 679 R CA -1.270 54.816 56.100 -0.024 0.000 0.978 679 R CB 0.432 30.739 30.300 0.013 0.000 1.227 679 R HN 0.171 nan 8.270 nan 0.000 0.473 680 L N 1.292 122.541 121.223 0.043 0.000 2.417 680 L HA 0.183 4.526 4.340 0.005 0.000 0.268 680 L C 1.780 178.719 176.870 0.114 0.000 1.158 680 L CA 0.472 55.376 54.840 0.107 0.000 0.819 680 L CB 0.416 42.516 42.059 0.068 0.000 1.112 680 L HN 0.593 nan 8.230 nan 0.000 0.458 681 I N 1.630 122.286 120.570 0.145 0.000 2.248 681 I HA -0.367 3.806 4.170 0.005 0.000 0.248 681 I C 2.295 178.447 176.117 0.058 0.000 1.107 681 I CA 1.608 62.956 61.300 0.081 0.000 1.373 681 I CB -0.346 37.636 38.000 -0.029 0.000 1.055 681 I HN 0.884 nan 8.210 nan 0.000 0.418 682 A N 0.411 123.267 122.820 0.059 0.000 1.902 682 A HA -0.235 4.089 4.320 0.005 0.000 0.217 682 A C 1.986 179.655 177.584 0.140 0.000 1.181 682 A CA 2.094 54.184 52.037 0.088 0.000 0.623 682 A CB -0.499 18.534 19.000 0.054 0.000 0.818 682 A HN 0.371 nan 8.150 nan 0.000 0.443 683 D N -0.281 120.188 120.400 0.114 0.000 2.234 683 D HA 0.082 4.725 4.640 0.005 0.000 0.205 683 D C 2.196 178.633 176.300 0.227 0.000 0.962 683 D CA 1.156 55.249 54.000 0.155 0.000 0.855 683 D CB -0.272 40.567 40.800 0.065 0.000 0.951 683 D HN 0.422 nan 8.370 nan 0.000 0.500 684 A N 0.597 123.513 122.820 0.161 0.000 1.902 684 A HA -0.147 4.176 4.320 0.005 0.000 0.217 684 A C 2.359 180.050 177.584 0.177 0.000 1.181 684 A CA 1.820 53.944 52.037 0.144 0.000 0.623 684 A CB -0.857 18.218 19.000 0.124 0.000 0.818 684 A HN 0.158 nan 8.150 nan 0.000 0.443 685 T N -0.760 113.921 114.554 0.212 0.000 2.788 685 T HA -0.130 4.223 4.350 0.005 0.000 0.268 685 T C 1.590 176.447 174.700 0.263 0.000 1.044 685 T CA 1.564 63.816 62.100 0.252 0.000 1.139 685 T CB -0.397 68.672 68.868 0.334 0.000 0.867 685 T HN 0.521 nan 8.240 nan 0.000 0.454 686 F N 2.634 122.670 119.950 0.143 0.000 2.134 686 F HA -0.187 4.344 4.527 0.006 0.000 0.299 686 F C 2.604 178.517 175.800 0.188 0.000 1.097 686 F CA 1.849 59.953 58.000 0.174 0.000 1.264 686 F CB -0.882 38.201 39.000 0.138 0.000 1.001 686 F HN 0.225 nan 8.300 nan 0.000 0.479 687 T N -1.936 112.701 114.554 0.139 0.000 2.720 687 T HA -0.114 4.239 4.350 0.005 0.000 0.268 687 T C 2.292 176.934 174.700 -0.097 0.000 1.037 687 T CA 1.248 63.335 62.100 -0.022 0.000 1.144 687 T CB -1.675 67.242 68.868 0.081 0.000 0.864 687 T HN 0.352 nan 8.240 nan 0.000 0.444 688 G N 0.349 109.136 108.800 -0.021 0.000 2.418 688 G HA2 -0.239 3.724 3.960 0.005 0.000 0.217 688 G HA3 -0.239 3.724 3.960 0.005 0.000 0.217 688 G C 1.384 176.216 174.900 -0.113 0.000 1.158 688 G CA 0.974 46.048 45.100 -0.044 0.000 0.771 688 G HN 0.714 nan 8.290 nan 0.000 0.545 689 H N 0.048 119.004 119.070 -0.190 0.000 2.353 689 H HA 0.051 4.610 4.556 0.005 0.000 0.300 689 H C 2.597 177.626 175.328 -0.497 0.000 1.090 689 H CA 1.737 57.607 56.048 -0.296 0.000 1.327 689 H CB 0.012 29.635 29.762 -0.232 0.000 1.383 689 H HN 0.269 nan 8.280 nan 0.000 0.508 690 R N 0.323 120.602 120.500 -0.368 0.000 2.066 690 R HA -0.107 4.237 4.340 0.005 0.000 0.232 690 R C 2.298 178.458 176.300 -0.233 0.000 1.131 690 R CA 1.615 57.533 56.100 -0.303 0.000 0.955 690 R CB -0.265 29.847 30.300 -0.313 0.000 0.851 690 R HN 0.405 nan 8.270 nan 0.000 0.432 691 V N -1.430 118.349 119.914 -0.225 0.000 2.594 691 V HA -0.058 4.065 4.120 0.005 0.000 0.253 691 V C 2.284 178.219 176.094 -0.265 0.000 1.069 691 V CA 1.628 63.790 62.300 -0.230 0.000 1.082 691 V CB -1.027 30.679 31.823 -0.196 0.000 0.680 691 V HN 0.350 nan 8.190 nan 0.000 0.469 692 A N 0.660 123.301 122.820 -0.297 0.000 1.873 692 A HA -0.083 4.240 4.320 0.005 0.000 0.215 692 A C 2.405 179.792 177.584 -0.328 0.000 1.186 692 A CA 1.527 53.363 52.037 -0.335 0.000 0.616 692 A CB -0.521 18.257 19.000 -0.370 0.000 0.823 692 A HN 0.457 nan 8.150 nan 0.000 0.442 693 R N 0.058 120.324 120.500 -0.390 0.000 2.115 693 R HA -0.059 4.284 4.340 0.005 0.000 0.230 693 R C 0.572 176.793 176.300 -0.133 0.000 1.111 693 R CA 1.363 57.271 56.100 -0.320 0.000 0.976 693 R CB -0.306 29.644 30.300 -0.584 0.000 0.870 693 R HN 0.688 nan 8.270 nan 0.000 0.445 694 E N 0.092 120.218 120.200 -0.124 0.000 2.569 694 E HA 0.048 4.401 4.350 0.005 0.000 0.205 694 E C 0.899 177.416 176.600 -0.138 0.000 1.006 694 E CA -0.311 56.049 56.400 -0.067 0.000 0.985 694 E CB 0.173 29.866 29.700 -0.013 0.000 1.060 694 E HN 0.025 nan 8.360 nan 0.000 0.460 695 I N 1.585 122.044 120.570 -0.185 0.000 2.530 695 I HA -0.233 3.940 4.170 0.005 0.000 0.257 695 I C 1.580 177.632 176.117 -0.108 0.000 1.179 695 I CA 1.499 62.665 61.300 -0.223 0.000 1.440 695 I CB 0.258 38.061 38.000 -0.328 0.000 1.087 695 I HN 0.002 nan 8.210 nan 0.000 0.440 696 E N 0.565 120.747 120.200 -0.031 0.000 2.479 696 E HA 0.057 4.410 4.350 0.005 0.000 0.193 696 E C 0.556 177.169 176.600 0.022 0.000 1.049 696 E CA 0.062 56.482 56.400 0.033 0.000 0.870 696 E CB -0.094 29.656 29.700 0.082 0.000 0.944 696 E HN 0.524 nan 8.360 nan 0.000 0.492 697 E N 0.359 120.553 120.200 -0.010 0.000 2.391 697 E HA 0.189 4.542 4.350 0.005 0.000 0.255 697 E C 1.174 177.780 176.600 0.010 0.000 1.187 697 E CA 0.124 56.525 56.400 0.002 0.000 0.941 697 E CB 0.620 30.315 29.700 -0.008 0.000 1.010 697 E HN -0.029 nan 8.360 nan 0.000 0.458 698 A N 1.581 124.415 122.820 0.024 0.000 1.917 698 A HA -0.206 4.117 4.320 0.005 0.000 0.219 698 A C 1.086 178.702 177.584 0.053 0.000 1.182 698 A CA 1.838 53.901 52.037 0.042 0.000 0.633 698 A CB -0.160 18.864 19.000 0.040 0.000 0.819 698 A HN 0.460 nan 8.150 nan 0.000 0.448 699 N N -1.706 117.009 118.700 0.026 0.000 2.675 699 N HA 0.325 5.069 4.740 0.005 0.000 0.254 699 N C -2.729 172.742 175.510 -0.066 0.000 1.224 699 N CA -1.810 51.261 53.050 0.034 0.000 0.777 699 N CB 1.134 39.663 38.487 0.071 0.000 1.256 699 N HN -0.165 nan 8.380 nan 0.000 0.531 700 P HA -0.130 nan 4.420 nan 0.000 0.226 700 P C 1.054 178.166 177.300 -0.314 0.000 1.146 700 P CA 0.883 63.726 63.100 -0.428 0.000 0.773 700 P CB 0.493 31.622 31.700 -0.951 0.000 0.772 701 Q N -0.624 119.093 119.800 -0.138 0.000 2.167 701 Q HA -0.049 4.294 4.340 0.005 0.000 0.202 701 Q C 0.503 176.511 176.000 0.013 0.000 0.970 701 Q CA 1.203 57.014 55.803 0.014 0.000 0.855 701 Q CB -0.086 28.753 28.738 0.167 0.000 0.911 701 Q HN 0.100 nan 8.270 nan 0.000 0.438 702 I N 0.840 121.421 120.570 0.018 0.000 2.441 702 I HA 0.457 4.630 4.170 0.005 0.000 0.295 702 I C -0.267 175.872 176.117 0.036 0.000 0.994 702 I CA -1.316 60.007 61.300 0.037 0.000 1.144 702 I CB 0.794 38.820 38.000 0.044 0.000 1.314 702 I HN 0.074 nan 8.210 nan 0.000 0.445 703 A N 7.074 129.937 122.820 0.072 0.000 2.445 703 A HA 0.428 4.751 4.320 0.005 0.000 0.242 703 A C 0.358 177.984 177.584 0.069 0.000 1.075 703 A CA -0.299 51.798 52.037 0.100 0.000 0.777 703 A CB 0.062 19.170 19.000 0.180 0.000 1.013 703 A HN 0.711 nan 8.150 nan 0.000 0.493 704 I N -0.199 120.414 120.570 0.072 0.000 2.764 704 I HA 0.500 4.674 4.170 0.005 0.000 0.294 704 I C -2.306 173.817 176.117 0.011 0.000 1.045 704 I CA -2.101 59.221 61.300 0.036 0.000 1.340 704 I CB -0.017 38.010 38.000 0.045 0.000 1.436 704 I HN 0.322 nan 8.210 nan 0.000 0.567 705 P HA 0.100 nan 4.420 nan 0.000 0.268 705 P C -1.441 175.782 177.300 -0.128 0.000 1.208 705 P CA 0.373 63.364 63.100 -0.182 0.000 0.777 705 P CB 0.115 31.716 31.700 -0.164 0.000 0.875 706 Y N -1.711 118.551 120.300 -0.064 0.000 2.549 706 Y HA 0.560 5.113 4.550 0.005 0.000 0.339 706 Y C 0.132 175.978 175.900 -0.089 0.000 1.053 706 Y CA -1.647 56.386 58.100 -0.111 0.000 1.105 706 Y CB 1.197 39.566 38.460 -0.153 0.000 1.258 706 Y HN 0.065 nan 8.280 nan 0.000 0.478 707 K N 2.758 123.224 120.400 0.109 0.000 2.451 707 K HA 0.188 4.511 4.320 0.005 0.000 0.280 707 K C -0.606 176.134 176.600 0.232 0.000 1.020 707 K CA -0.009 56.320 56.287 0.070 0.000 1.008 707 K CB 0.456 32.903 32.500 -0.087 0.000 0.917 707 K HN 0.678 nan 8.250 nan 0.000 0.478 708 R N 2.423 123.023 120.500 0.167 0.000 2.346 708 R HA 0.127 4.470 4.340 0.005 0.000 0.311 708 R C -0.334 176.068 176.300 0.169 0.000 0.983 708 R CA -0.456 55.758 56.100 0.191 0.000 0.880 708 R CB 1.187 31.547 30.300 0.100 0.000 1.100 708 R HN 0.541 nan 8.270 nan 0.000 0.453 709 E N 2.457 122.756 120.200 0.165 0.000 2.206 709 E HA 0.139 4.493 4.350 0.005 0.000 0.244 709 E C -0.760 175.887 176.600 0.078 0.000 1.055 709 E CA -0.117 56.355 56.400 0.119 0.000 0.970 709 E CB 1.233 30.991 29.700 0.097 0.000 1.256 709 E HN 0.414 nan 8.360 nan 0.000 0.456 710 T N 1.557 116.154 114.554 0.072 0.000 2.893 710 T HA 0.315 4.669 4.350 0.005 0.000 0.291 710 T C 0.226 174.959 174.700 0.055 0.000 1.028 710 T CA -0.618 61.515 62.100 0.056 0.000 0.995 710 T CB 1.811 70.711 68.868 0.054 0.000 1.051 710 T HN 0.334 nan 8.240 nan 0.000 0.470 711 I N 2.344 122.947 120.570 0.055 0.000 2.872 711 I HA 0.358 4.531 4.170 0.005 0.000 0.291 711 I C 0.203 176.362 176.117 0.070 0.000 1.216 711 I CA -0.063 61.275 61.300 0.064 0.000 1.424 711 I CB 0.333 38.382 38.000 0.081 0.000 1.351 711 I HN 0.721 nan 8.210 nan 0.000 0.592 712 A N 8.723 131.572 122.820 0.048 0.000 2.258 712 A HA 0.181 4.504 4.320 0.005 0.000 0.316 712 A C -0.445 177.156 177.584 0.030 0.000 1.279 712 A CA -0.629 51.433 52.037 0.041 0.000 0.876 712 A CB 0.287 19.285 19.000 -0.004 0.000 1.170 712 A HN 0.900 nan 8.150 nan 0.000 0.520 713 W N 3.180 124.417 121.300 -0.104 0.000 2.385 713 W HA 0.301 4.964 4.660 0.005 0.000 0.336 713 W C 0.776 177.079 176.519 -0.361 0.000 1.351 713 W CA 1.937 59.188 57.345 -0.157 0.000 1.295 713 W CB 0.340 29.754 29.460 -0.076 0.000 1.239 713 W HN 1.388 nan 8.180 nan 0.000 0.565 714 G N 3.403 111.280 108.800 -1.539 0.000 2.231 714 G HA2 -0.232 3.732 3.960 0.005 0.000 0.206 714 G HA3 -0.232 3.732 3.960 0.005 0.000 0.206 714 G C -0.108 173.976 174.900 -1.359 0.000 0.996 714 G CA 0.075 43.881 45.100 -2.157 0.000 0.645 714 G HN 0.544 nan 8.290 nan 0.000 0.498 715 T N 4.092 118.226 114.554 -0.700 0.000 2.809 715 T HA 0.602 4.955 4.350 0.005 0.000 0.296 715 T C -2.393 172.211 174.700 -0.159 0.000 1.015 715 T CA -0.788 61.120 62.100 -0.320 0.000 0.954 715 T CB 2.766 71.527 68.868 -0.179 0.000 0.950 715 T HN 0.262 nan 8.240 nan 0.000 0.450 716 P HA 0.162 nan 4.420 nan 0.000 0.279 716 P C 0.646 177.978 177.300 0.054 0.000 1.239 716 P CA -0.450 62.681 63.100 0.051 0.000 0.789 716 P CB 1.125 32.874 31.700 0.082 0.000 0.933 717 H N 2.750 121.828 119.070 0.014 0.000 2.389 717 H HA -0.022 4.537 4.556 0.005 0.000 0.299 717 H C 0.334 175.668 175.328 0.010 0.000 1.081 717 H CA 0.741 56.793 56.048 0.007 0.000 1.345 717 H CB 0.231 30.002 29.762 0.015 0.000 1.393 717 H HN 0.242 nan 8.280 nan 0.000 0.520 718 M N 2.713 122.325 119.600 0.020 0.000 2.184 718 M HA 0.240 4.723 4.480 0.005 0.000 0.351 718 M C -2.461 173.811 176.300 -0.046 0.000 1.395 718 M CA -2.060 53.225 55.300 -0.025 0.000 1.117 718 M CB 1.072 33.706 32.600 0.057 0.000 1.708 718 M HN -0.131 nan 8.290 nan 0.000 0.468 719 P HA 0.233 nan 4.420 nan 0.000 0.263 719 P C 0.475 177.761 177.300 -0.024 0.000 1.195 719 P CA 0.821 63.890 63.100 -0.053 0.000 0.762 719 P CB 0.448 32.113 31.700 -0.057 0.000 0.799 720 G N 2.218 111.009 108.800 -0.014 0.000 2.162 720 G HA2 -0.167 3.796 3.960 0.005 0.000 0.260 720 G HA3 -0.167 3.796 3.960 0.005 0.000 0.260 720 G C 0.604 175.505 174.900 0.001 0.000 0.976 720 G CA -0.153 44.943 45.100 -0.006 0.000 0.655 720 G HN 0.874 nan 8.290 nan 0.000 0.533 721 G N -0.711 108.095 108.800 0.010 0.000 2.580 721 G HA2 0.473 4.437 3.960 0.005 0.000 0.278 721 G HA3 0.473 4.437 3.960 0.005 0.000 0.278 721 G C -0.174 174.734 174.900 0.012 0.000 1.212 721 G CA -0.028 45.080 45.100 0.014 0.000 0.939 721 G HN 0.415 nan 8.290 nan 0.000 0.513 722 N N -0.169 118.517 118.700 -0.023 0.000 2.422 722 N HA 0.227 4.971 4.740 0.005 0.000 0.266 722 N C 0.744 176.189 175.510 -0.108 0.000 1.007 722 N CA -1.083 51.904 53.050 -0.104 0.000 0.941 722 N CB 1.052 39.450 38.487 -0.149 0.000 1.115 722 N HN 0.365 nan 8.380 nan 0.000 0.492 723 F N 2.004 121.861 119.950 -0.155 0.000 2.615 723 F HA 0.393 4.923 4.527 0.005 0.000 0.297 723 F C 0.546 176.224 175.800 -0.203 0.000 1.124 723 F CA -0.225 57.643 58.000 -0.220 0.000 1.451 723 F CB -0.106 38.643 39.000 -0.418 0.000 1.103 723 F HN 0.109 nan 8.300 nan 0.000 0.569 724 K N 1.650 121.515 120.400 -0.892 0.000 2.276 724 K HA 0.271 4.594 4.320 0.005 0.000 0.259 724 K C 0.026 176.523 176.600 -0.172 0.000 1.001 724 K CA -0.479 55.505 56.287 -0.504 0.000 0.927 724 K CB 0.923 33.080 32.500 -0.572 0.000 0.969 724 K HN 0.139 nan 8.250 nan 0.000 0.490 725 I N 2.562 123.090 120.570 -0.070 0.000 2.587 725 I HA -0.063 4.110 4.170 0.005 0.000 0.284 725 I C 0.039 175.977 176.117 -0.299 0.000 1.134 725 I CA 0.765 61.952 61.300 -0.188 0.000 1.410 725 I CB 0.114 37.990 38.000 -0.207 0.000 1.392 725 I HN 0.444 nan 8.210 nan 0.000 0.545 726 E N 6.584 126.583 120.200 -0.335 0.000 2.279 726 E HA 0.315 4.668 4.350 0.005 0.000 0.252 726 E C -1.511 174.940 176.600 -0.248 0.000 0.894 726 E CA -0.700 55.553 56.400 -0.244 0.000 0.785 726 E CB 1.424 31.046 29.700 -0.131 0.000 1.237 726 E HN 0.331 nan 8.360 nan 0.000 0.418 727 Y N 1.568 121.869 120.300 0.001 0.000 2.304 727 Y HA 0.169 4.722 4.550 0.005 0.000 0.328 727 Y C 0.691 176.590 175.900 -0.002 0.000 1.123 727 Y CA -0.603 57.498 58.100 0.002 0.000 1.218 727 Y CB 0.834 39.296 38.460 0.002 0.000 1.207 727 Y HN 0.155 nan 8.280 nan 0.000 0.495 728 K N 4.154 124.655 120.400 0.168 0.000 2.220 728 K HA 0.380 4.704 4.320 0.005 0.000 0.283 728 K C -0.544 176.102 176.600 0.076 0.000 1.098 728 K CA -0.270 56.069 56.287 0.088 0.000 0.928 728 K CB 0.016 32.552 32.500 0.060 0.000 1.214 728 K HN 0.522 nan 8.250 nan 0.000 0.442 729 V N 0.000 119.952 119.914 0.064 0.000 2.409 729 V HA 0.000 4.123 4.120 0.005 0.000 0.244 729 V CA 0.000 62.324 62.300 0.039 0.000 1.235 729 V CB 0.000 31.847 31.823 0.041 0.000 1.184 729 V HN 0.000 nan 8.190 nan 0.000 0.556