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 1jjb_1_A DATA FIRST_RESID 4 DATA SEQUENCE SELLVNTKSG KVMGTRVPVL SSHISAFLGI PFAEPPVGNM RFRRPEPKKP DATA SEQUENCE WSGVWNASTY PNNcQQYVDE QFPGFSGSEM WNPNREMSED cLYLNIWVPS DATA SEQUENCE PRPKSTTVMV WIYGGGFYSG SSTLDVYNGK YLAYTEEVVL VSLSYRVGAF DATA SEQUENCE GFLALHGSQE APGNVGLLDQ RMALQWVHDN IQFFGGDPKT VTIFGESAGG DATA SEQUENCE ASVGMHILSP GSRDLFRRAI LQSGSPNCPW ASVSVAEGRR RAVELGRNLN DATA SEQUENCE cNLNSDEELI HcLREKKPQE LIDVEWNVLP FDSIFRFSFV PVIDGEFFPT DATA SEQUENCE SLESMLNSGN FKKTQILLGV NKDEGSFFLL YGAPGFSKDS ESKISREDFM DATA SEQUENCE SGVKLSVPHA NDLGLDAVTL QYTDWMDDNN GIKNRDGLDD IVGDHNVIcP DATA SEQUENCE LMHFVNKYTK FGNGTYLYFF NHRASNLVWP EWMGVIHGYE IEFVFGLPLV DATA SEQUENCE KELNYTAEEE ALSRRIMHYW ATFAKTGNPN EPHSQESKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN AT 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.647 174.600 0.079 0.000 1.055 4 S CA 0.000 58.231 58.200 0.052 0.000 1.107 4 S CB 0.000 63.229 63.200 0.048 0.000 0.593 5 E N 1.961 122.212 120.200 0.085 0.000 2.347 5 E HA 0.064 4.414 4.350 -0.001 0.000 0.196 5 E C 0.942 177.663 176.600 0.201 0.000 1.008 5 E CA 0.855 57.332 56.400 0.128 0.000 0.852 5 E CB -0.036 29.729 29.700 0.108 0.000 0.783 5 E HN 0.683 nan 8.360 nan 0.000 0.505 6 L N 0.983 122.292 121.223 0.144 0.000 2.607 6 L HA 0.202 4.542 4.340 -0.001 0.000 0.228 6 L C 0.060 177.098 176.870 0.280 0.000 1.123 6 L CA -0.360 54.558 54.840 0.131 0.000 0.890 6 L CB 0.409 42.449 42.059 -0.033 0.000 1.103 6 L HN 0.125 nan 8.230 nan 0.000 0.468 7 L N 0.775 122.145 121.223 0.246 0.000 2.305 7 L HA 0.579 4.918 4.340 -0.001 0.000 0.284 7 L C -0.727 176.227 176.870 0.139 0.000 1.013 7 L CA -0.335 54.634 54.840 0.215 0.000 0.819 7 L CB 1.676 43.806 42.059 0.119 0.000 1.227 7 L HN -0.306 nan 8.230 nan 0.000 0.417 8 V N 4.436 124.403 119.914 0.088 0.000 2.638 8 V HA 0.457 4.576 4.120 -0.001 0.000 0.306 8 V C -0.613 175.375 176.094 -0.176 0.000 1.052 8 V CA -0.767 61.413 62.300 -0.201 0.000 0.885 8 V CB 1.939 33.311 31.823 -0.752 0.000 0.999 8 V HN 0.782 nan 8.190 nan 0.000 0.424 9 N N 3.091 121.635 118.700 -0.260 0.000 2.439 9 N HA 0.468 5.208 4.740 -0.001 0.000 0.249 9 N C -0.072 175.102 175.510 -0.560 0.000 1.003 9 N CA -0.110 52.761 53.050 -0.297 0.000 0.942 9 N CB 1.242 39.563 38.487 -0.277 0.000 1.115 9 N HN 0.911 nan 8.380 nan 0.000 0.505 10 T N 0.170 114.494 114.554 -0.382 0.000 2.923 10 T HA 0.346 4.696 4.350 -0.001 0.000 0.281 10 T C 1.031 175.474 174.700 -0.428 0.000 0.995 10 T CA -0.590 61.258 62.100 -0.420 0.000 0.985 10 T CB 1.085 69.968 68.868 0.025 0.000 1.114 10 T HN 0.382 nan 8.240 nan 0.000 0.548 11 K N 0.250 120.449 120.400 -0.335 0.000 2.442 11 K HA 0.013 4.333 4.320 -0.001 0.000 0.198 11 K C 1.900 178.355 176.600 -0.243 0.000 1.044 11 K CA 0.827 56.966 56.287 -0.246 0.000 0.948 11 K CB -0.067 32.355 32.500 -0.130 0.000 0.762 11 K HN 0.435 nan 8.250 nan 0.000 0.472 12 S N -0.346 115.191 115.700 -0.272 0.000 2.517 12 S HA 0.192 4.662 4.470 -0.001 0.000 0.214 12 S C 0.494 174.406 174.600 -1.146 0.000 0.991 12 S CA 0.245 58.165 58.200 -0.465 0.000 0.906 12 S CB 1.004 64.113 63.200 -0.152 0.000 0.789 12 S HN 0.548 nan 8.310 nan 0.000 0.513 13 G N 1.178 109.474 108.800 -0.840 0.000 2.361 13 G HA2 0.104 4.064 3.960 -0.001 0.000 0.331 13 G HA3 0.104 4.064 3.960 -0.001 0.000 0.331 13 G C -1.841 172.933 174.900 -0.211 0.000 1.324 13 G CA -1.184 43.413 45.100 -0.838 0.000 0.984 13 G HN 0.112 nan 8.290 nan 0.000 0.586 14 K N -0.618 119.839 120.400 0.094 0.000 2.185 14 K HA 0.631 4.951 4.320 -0.001 0.000 0.271 14 K C -0.398 176.536 176.600 0.557 0.000 1.013 14 K CA -0.543 55.895 56.287 0.251 0.000 0.943 14 K CB 1.931 34.541 32.500 0.182 0.000 0.998 14 K HN 0.369 nan 8.250 nan 0.000 0.468 15 V N 2.876 123.059 119.914 0.448 0.000 2.789 15 V HA 0.339 4.459 4.120 -0.001 0.000 0.311 15 V C -1.001 175.383 176.094 0.483 0.000 1.073 15 V CA -0.965 61.672 62.300 0.561 0.000 0.921 15 V CB 1.819 34.028 31.823 0.643 0.000 1.009 15 V HN 0.714 nan 8.190 nan 0.000 0.426 16 M N 3.743 123.598 119.600 0.425 0.000 2.125 16 M HA 0.762 5.242 4.480 -0.001 0.000 0.321 16 M C 0.145 176.549 176.300 0.175 0.000 0.983 16 M CA -0.011 55.456 55.300 0.279 0.000 0.934 16 M CB 0.998 33.688 32.600 0.150 0.000 1.542 16 M HN 0.762 nan 8.290 nan 0.000 0.424 17 G N 1.588 110.355 108.800 -0.055 0.000 2.543 17 G HA2 0.642 4.602 3.960 -0.001 0.000 0.267 17 G HA3 0.642 4.602 3.960 -0.001 0.000 0.267 17 G C -1.061 173.627 174.900 -0.353 0.000 1.406 17 G CA -0.343 44.418 45.100 -0.564 0.000 1.048 17 G HN 0.686 nan 8.290 nan 0.000 0.548 18 T N -1.449 112.862 114.554 -0.405 0.000 2.916 18 T HA 0.492 4.842 4.350 -0.001 0.000 0.305 18 T C -0.741 173.837 174.700 -0.203 0.000 1.119 18 T CA -0.682 61.276 62.100 -0.235 0.000 1.008 18 T CB 1.484 70.242 68.868 -0.184 0.000 1.129 18 T HN 0.513 nan 8.240 nan 0.000 0.480 19 R N 2.528 122.946 120.500 -0.137 0.000 2.340 19 R HA 0.620 4.960 4.340 -0.001 0.000 0.300 19 R C -0.450 175.823 176.300 -0.045 0.000 1.069 19 R CA -0.442 55.603 56.100 -0.091 0.000 0.984 19 R CB 0.530 30.752 30.300 -0.131 0.000 1.003 19 R HN 0.564 nan 8.270 nan 0.000 0.459 20 V N 2.424 122.362 119.914 0.040 0.000 2.735 20 V HA 0.669 4.789 4.120 -0.001 0.000 0.310 20 V C -2.591 173.610 176.094 0.179 0.000 1.061 20 V CA -2.543 59.805 62.300 0.079 0.000 0.913 20 V CB 1.904 33.763 31.823 0.060 0.000 1.005 20 V HN 0.748 nan 8.190 nan 0.000 0.428 21 P HA 0.447 nan 4.420 nan 0.000 0.277 21 P C -0.906 176.296 177.300 -0.163 0.000 1.240 21 P CA -0.189 62.906 63.100 -0.009 0.000 0.798 21 P CB 2.042 33.741 31.700 -0.001 0.000 0.979 22 V N 5.154 124.877 119.914 -0.318 0.000 2.739 22 V HA 0.125 4.245 4.120 -0.001 0.000 0.293 22 V C -0.073 175.762 176.094 -0.431 0.000 1.199 22 V CA -0.712 61.386 62.300 -0.337 0.000 0.931 22 V CB 0.591 32.172 31.823 -0.404 0.000 1.052 22 V HN 0.521 nan 8.190 nan 0.000 0.441 23 L N 6.335 127.446 121.223 -0.187 0.000 3.762 23 L HA -0.220 4.119 4.340 -0.001 0.000 0.460 23 L C 1.042 177.789 176.870 -0.205 0.000 1.255 23 L CA 1.152 55.907 54.840 -0.143 0.000 0.783 23 L CB -1.705 40.317 42.059 -0.063 0.000 1.600 23 L HN 1.826 nan 8.230 nan 0.000 0.862 24 S N -3.578 111.995 115.700 -0.211 0.000 3.382 24 S HA -0.233 4.236 4.470 -0.001 0.000 0.293 24 S C 0.200 174.629 174.600 -0.285 0.000 1.262 24 S CA 1.396 59.477 58.200 -0.199 0.000 0.969 24 S CB -1.252 61.890 63.200 -0.098 0.000 1.136 24 S HN 1.036 nan 8.310 nan 0.000 0.635 25 S N -0.111 115.312 115.700 -0.462 0.000 2.998 25 S HA 0.837 5.307 4.470 -0.001 0.000 0.323 25 S C -1.281 172.892 174.600 -0.712 0.000 1.141 25 S CA -0.366 57.554 58.200 -0.468 0.000 0.873 25 S CB 1.239 64.232 63.200 -0.345 0.000 1.315 25 S HN 0.638 nan 8.310 nan 0.000 0.637 26 H N 0.083 119.087 119.070 -0.109 0.000 3.016 26 H HA 0.665 5.221 4.556 -0.001 0.000 0.362 26 H C -0.711 174.631 175.328 0.024 0.000 1.233 26 H CA -0.242 55.772 56.048 -0.057 0.000 1.124 26 H CB 1.451 31.201 29.762 -0.018 0.000 1.850 26 H HN 0.821 nan 8.280 nan 0.000 0.549 27 I N -2.080 118.604 120.570 0.189 0.000 3.263 27 I HA 0.575 4.745 4.170 -0.001 0.000 0.314 27 I C -0.891 175.325 176.117 0.164 0.000 1.269 27 I CA -0.897 60.525 61.300 0.204 0.000 0.942 27 I CB 2.334 40.486 38.000 0.253 0.000 1.305 27 I HN 0.276 nan 8.210 nan 0.000 0.474 28 S N 1.360 117.168 115.700 0.180 0.000 2.578 28 S HA 0.833 5.303 4.470 -0.001 0.000 0.283 28 S C -0.300 174.319 174.600 0.033 0.000 1.195 28 S CA -0.477 57.763 58.200 0.066 0.000 1.050 28 S CB 1.492 64.786 63.200 0.155 0.000 1.012 28 S HN 0.861 nan 8.310 nan 0.000 0.511 29 A N 2.190 124.856 122.820 -0.257 0.000 2.359 29 A HA 0.764 5.084 4.320 -0.001 0.000 0.303 29 A C -1.349 175.905 177.584 -0.549 0.000 1.066 29 A CA -0.617 51.202 52.037 -0.364 0.000 0.730 29 A CB 0.449 19.254 19.000 -0.325 0.000 1.211 29 A HN 0.663 nan 8.150 nan 0.000 0.439 30 F N 3.087 122.905 119.950 -0.220 0.000 2.359 30 F HA 0.446 4.972 4.527 -0.001 0.000 0.369 30 F C -0.125 175.559 175.800 -0.192 0.000 1.084 30 F CA -0.337 57.616 58.000 -0.079 0.000 1.096 30 F CB 1.149 40.203 39.000 0.091 0.000 1.335 30 F HN 0.368 nan 8.300 nan 0.000 0.457 31 L N 2.033 123.210 121.223 -0.076 0.000 2.325 31 L HA 0.681 5.021 4.340 -0.001 0.000 0.279 31 L C 1.034 177.941 176.870 0.062 0.000 1.054 31 L CA -0.944 53.848 54.840 -0.081 0.000 0.804 31 L CB 1.414 43.339 42.059 -0.224 0.000 1.200 31 L HN 0.806 nan 8.230 nan 0.000 0.436 32 G N 3.018 111.877 108.800 0.097 0.000 2.246 32 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.273 32 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.273 32 G C -0.113 174.892 174.900 0.175 0.000 1.055 32 G CA -0.309 44.850 45.100 0.100 0.000 0.851 32 G HN 0.482 nan 8.290 nan 0.000 0.500 33 I N 2.130 122.720 120.570 0.035 0.000 2.416 33 I HA 0.242 4.411 4.170 -0.001 0.000 0.288 33 I C -1.358 174.559 176.117 -0.333 0.000 1.051 33 I CA -2.112 59.023 61.300 -0.275 0.000 1.375 33 I CB 1.187 39.005 38.000 -0.303 0.000 1.407 33 I HN 0.009 nan 8.210 nan 0.000 0.516 34 P HA 0.101 nan 4.420 nan 0.000 0.279 34 P C -0.401 176.521 177.300 -0.631 0.000 1.239 34 P CA -0.087 62.512 63.100 -0.835 0.000 0.789 34 P CB 0.838 31.958 31.700 -0.967 0.000 0.933 35 F N 0.367 119.981 119.950 -0.560 0.000 2.746 35 F HA 0.733 5.259 4.527 -0.001 0.000 0.320 35 F C -0.060 175.633 175.800 -0.178 0.000 1.097 35 F CA -0.902 56.836 58.000 -0.437 0.000 1.195 35 F CB 0.009 38.727 39.000 -0.470 0.000 1.056 35 F HN 0.354 nan 8.300 nan 0.000 0.562 36 A N 0.101 122.595 122.820 -0.542 0.000 2.594 36 A HA 0.637 4.957 4.320 -0.001 0.000 0.291 36 A C -0.867 176.528 177.584 -0.314 0.000 1.105 36 A CA -0.733 51.124 52.037 -0.301 0.000 0.694 36 A CB 1.164 19.962 19.000 -0.337 0.000 1.291 36 A HN 0.058 nan 8.150 nan 0.000 0.410 37 E N 0.892 121.000 120.200 -0.152 0.000 2.366 37 E HA 0.305 4.654 4.350 -0.001 0.000 0.266 37 E C -2.352 174.155 176.600 -0.155 0.000 1.051 37 E CA -1.455 54.876 56.400 -0.115 0.000 0.884 37 E CB 0.244 29.921 29.700 -0.038 0.000 1.006 37 E HN 0.248 nan 8.360 nan 0.000 0.417 38 P HA 0.012 nan 4.420 nan 0.000 0.263 38 P C -2.203 175.043 177.300 -0.090 0.000 1.195 38 P CA -0.670 62.359 63.100 -0.118 0.000 0.762 38 P CB 0.039 31.705 31.700 -0.056 0.000 0.799 39 P HA 0.024 nan 4.420 nan 0.000 0.218 39 P C -0.278 176.971 177.300 -0.084 0.000 1.793 39 P CA 0.028 63.081 63.100 -0.078 0.000 0.941 39 P CB -0.044 31.612 31.700 -0.072 0.000 1.919 40 V N -2.543 117.328 119.914 -0.072 0.000 3.193 40 V HA 0.883 5.003 4.120 -0.001 0.000 0.320 40 V C 1.068 177.124 176.094 -0.063 0.000 1.112 40 V CA 0.148 62.405 62.300 -0.073 0.000 1.026 40 V CB 0.617 32.406 31.823 -0.057 0.000 1.128 40 V HN 0.533 nan 8.190 nan 0.000 0.452 41 G N 0.963 109.725 108.800 -0.064 0.000 2.622 41 G HA2 -0.408 3.551 3.960 -0.001 0.000 0.307 41 G HA3 -0.408 3.551 3.960 -0.001 0.000 0.307 41 G C 0.949 175.816 174.900 -0.056 0.000 1.226 41 G CA 1.661 46.730 45.100 -0.051 0.000 0.997 41 G HN 2.113 nan 8.290 nan 0.000 0.551 42 N N -0.454 118.231 118.700 -0.026 0.000 2.571 42 N HA 0.208 4.948 4.740 -0.001 0.000 0.189 42 N C 2.112 177.617 175.510 -0.008 0.000 1.154 42 N CA 2.161 55.208 53.050 -0.006 0.000 0.907 42 N CB -0.312 38.185 38.487 0.018 0.000 0.977 42 N HN 0.511 nan 8.380 nan 0.000 0.449 43 M N -0.158 119.422 119.600 -0.032 0.000 2.541 43 M HA 0.138 4.617 4.480 -0.001 0.000 0.252 43 M C 1.100 177.361 176.300 -0.065 0.000 1.125 43 M CA 0.021 55.303 55.300 -0.030 0.000 1.091 43 M CB -0.660 31.921 32.600 -0.032 0.000 1.420 43 M HN 0.377 nan 8.290 nan 0.000 0.486 44 R N 0.451 120.861 120.500 -0.150 0.000 2.585 44 R HA -0.062 4.278 4.340 -0.001 0.000 0.275 44 R C -0.240 175.871 176.300 -0.316 0.000 1.018 44 R CA 0.569 56.457 56.100 -0.353 0.000 1.072 44 R CB 0.175 30.113 30.300 -0.602 0.000 0.953 44 R HN 0.202 nan 8.270 nan 0.000 0.419 45 F N -0.561 119.387 119.950 -0.003 0.000 2.590 45 F HA -0.297 4.229 4.527 -0.001 0.000 0.471 45 F C 0.514 176.294 175.800 -0.034 0.000 0.551 45 F CA 0.965 58.938 58.000 -0.045 0.000 1.228 45 F CB -1.388 37.572 39.000 -0.066 0.000 1.862 45 F HN 0.627 nan 8.300 nan 0.000 0.271 46 R N 1.263 121.834 120.500 0.119 0.000 2.560 46 R HA 0.510 4.849 4.340 -0.001 0.000 0.270 46 R C 0.629 176.958 176.300 0.047 0.000 1.074 46 R CA -0.875 55.270 56.100 0.076 0.000 1.140 46 R CB 0.540 30.871 30.300 0.051 0.000 1.073 46 R HN 0.110 nan 8.270 nan 0.000 0.527 47 R N 2.132 122.660 120.500 0.045 0.000 2.698 47 R HA 0.038 4.378 4.340 -0.001 0.000 0.266 47 R C -1.821 174.503 176.300 0.041 0.000 1.026 47 R CA -0.898 55.228 56.100 0.043 0.000 1.102 47 R CB -0.147 30.184 30.300 0.051 0.000 0.978 47 R HN 0.432 nan 8.270 nan 0.000 0.436 48 P HA -0.025 nan 4.420 nan 0.000 0.270 48 P C -1.064 176.269 177.300 0.054 0.000 1.223 48 P CA 0.039 63.171 63.100 0.052 0.000 0.785 48 P CB 0.741 32.501 31.700 0.100 0.000 0.923 49 E N 2.086 122.308 120.200 0.037 0.000 2.222 49 E HA 0.372 4.722 4.350 -0.001 0.000 0.267 49 E C -2.369 174.262 176.600 0.052 0.000 0.884 49 E CA -3.054 53.371 56.400 0.041 0.000 0.764 49 E CB 1.695 31.409 29.700 0.024 0.000 1.169 49 E HN 0.289 nan 8.360 nan 0.000 0.413 50 P HA -0.021 nan 4.420 nan 0.000 0.268 50 P C -0.833 176.521 177.300 0.089 0.000 1.204 50 P CA -0.194 62.974 63.100 0.113 0.000 0.768 50 P CB 0.635 32.407 31.700 0.120 0.000 0.842 51 K N 2.750 123.211 120.400 0.100 0.000 2.447 51 K HA 0.228 4.548 4.320 -0.001 0.000 0.281 51 K C 0.313 177.000 176.600 0.145 0.000 1.031 51 K CA 0.181 56.522 56.287 0.090 0.000 1.019 51 K CB -0.682 31.869 32.500 0.086 0.000 0.918 51 K HN 0.444 nan 8.250 nan 0.000 0.476 52 K N 5.457 125.938 120.400 0.135 0.000 2.416 52 K HA 0.205 4.524 4.320 -0.001 0.000 0.283 52 K C -2.340 174.371 176.600 0.185 0.000 1.037 52 K CA -1.331 55.034 56.287 0.131 0.000 0.995 52 K CB -0.652 31.918 32.500 0.116 0.000 0.938 52 K HN 0.617 nan 8.250 nan 0.000 0.475 53 P HA 0.099 nan 4.420 nan 0.000 0.265 53 P C -0.688 176.660 177.300 0.080 0.000 1.187 53 P CA 0.144 63.209 63.100 -0.057 0.000 0.766 53 P CB 0.160 31.785 31.700 -0.124 0.000 0.820 54 W N 1.487 122.857 121.300 0.115 0.000 2.706 54 W HA 0.685 5.344 4.660 -0.001 0.000 0.346 54 W C -0.661 175.929 176.519 0.119 0.000 1.071 54 W CA -0.982 56.447 57.345 0.141 0.000 1.206 54 W CB 0.216 29.820 29.460 0.239 0.000 1.413 54 W HN 0.374 nan 8.180 nan 0.000 0.542 55 S N 2.016 117.897 115.700 0.302 0.000 2.687 55 S HA 0.889 5.359 4.470 -0.001 0.000 0.283 55 S C 0.427 175.217 174.600 0.318 0.000 1.170 55 S CA 0.047 58.364 58.200 0.194 0.000 1.008 55 S CB 0.983 64.256 63.200 0.120 0.000 1.026 55 S HN 2.217 nan 8.310 nan 0.000 0.541 56 G N -0.329 108.606 108.800 0.225 0.000 2.660 56 G HA2 -0.053 3.906 3.960 -0.001 0.000 0.215 56 G HA3 -0.053 3.906 3.960 -0.001 0.000 0.215 56 G C -0.984 174.110 174.900 0.324 0.000 1.345 56 G CA -0.407 44.826 45.100 0.222 0.000 0.877 56 G HN 1.623 nan 8.290 nan 0.000 0.549 57 V N 0.668 120.737 119.914 0.257 0.000 2.409 57 V HA 0.525 4.645 4.120 -0.001 0.000 0.291 57 V C 0.188 176.433 176.094 0.252 0.000 1.020 57 V CA -0.561 61.920 62.300 0.302 0.000 0.848 57 V CB 1.798 33.731 31.823 0.184 0.000 0.990 57 V HN 0.746 nan 8.190 nan 0.000 0.430 58 W N 5.628 127.035 121.300 0.179 0.000 2.311 58 W HA 0.218 4.878 4.660 -0.001 0.000 0.310 58 W C 0.211 176.732 176.519 0.002 0.000 1.274 58 W CA -0.338 56.950 57.345 -0.096 0.000 1.215 58 W CB 0.868 30.096 29.460 -0.387 0.000 1.227 58 W HN 0.624 nan 8.180 nan 0.000 0.523 59 N N 4.725 123.244 118.700 -0.302 0.000 2.402 59 N HA 0.193 4.933 4.740 -0.001 0.000 0.252 59 N C -0.603 174.929 175.510 0.037 0.000 1.118 59 N CA 0.227 53.207 53.050 -0.116 0.000 0.945 59 N CB 0.953 39.306 38.487 -0.224 0.000 1.147 59 N HN 0.416 nan 8.380 nan 0.000 0.495 60 A N 2.959 125.910 122.820 0.218 0.000 3.213 60 A HA 0.192 4.511 4.320 -0.001 0.000 0.308 60 A C 1.030 178.630 177.584 0.026 0.000 1.177 60 A CA -0.488 51.690 52.037 0.235 0.000 1.010 60 A CB -0.404 18.827 19.000 0.386 0.000 1.092 60 A HN 0.648 nan 8.150 nan 0.000 0.583 61 S N -0.964 114.710 115.700 -0.043 0.000 2.512 61 S HA 0.152 4.622 4.470 -0.001 0.000 0.216 61 S C 0.759 175.274 174.600 -0.142 0.000 1.006 61 S CA 0.599 58.730 58.200 -0.116 0.000 0.915 61 S CB -0.214 62.923 63.200 -0.105 0.000 0.824 61 S HN 0.832 nan 8.310 nan 0.000 0.497 62 T N -0.688 113.801 114.554 -0.109 0.000 2.893 62 T HA 0.641 4.990 4.350 -0.001 0.000 0.291 62 T C -0.799 173.873 174.700 -0.047 0.000 1.028 62 T CA -0.735 61.299 62.100 -0.110 0.000 0.995 62 T CB 0.796 69.618 68.868 -0.076 0.000 1.051 62 T HN 0.068 nan 8.240 nan 0.000 0.470 63 Y N 3.085 123.354 120.300 -0.051 0.000 2.652 63 Y HA 0.309 4.858 4.550 -0.001 0.000 0.344 63 Y C -1.381 174.456 175.900 -0.105 0.000 1.254 63 Y CA -1.232 56.839 58.100 -0.048 0.000 1.480 63 Y CB 0.146 38.599 38.460 -0.013 0.000 1.345 63 Y HN 0.563 nan 8.280 nan 0.000 0.617 64 P HA 0.140 nan 4.420 nan 0.000 0.284 64 P C -0.764 176.456 177.300 -0.133 0.000 1.292 64 P CA -0.588 62.389 63.100 -0.205 0.000 0.800 64 P CB 1.006 32.465 31.700 -0.401 0.000 1.188 65 N N 0.203 118.797 118.700 -0.176 0.000 2.444 65 N HA 0.120 4.860 4.740 -0.001 0.000 0.255 65 N C 0.022 175.498 175.510 -0.057 0.000 1.255 65 N CA 0.164 53.157 53.050 -0.096 0.000 0.933 65 N CB -0.170 38.269 38.487 -0.080 0.000 1.143 65 N HN 0.409 nan 8.380 nan 0.000 0.453 66 N N -0.726 117.933 118.700 -0.069 0.000 2.492 66 N HA 0.297 5.036 4.740 -0.001 0.000 0.289 66 N C -0.412 175.056 175.510 -0.071 0.000 1.133 66 N CA -0.647 52.358 53.050 -0.075 0.000 0.961 66 N CB 1.015 39.433 38.487 -0.115 0.000 1.186 66 N HN 0.400 nan 8.380 nan 0.000 0.493 67 c N 1.225 119.786 118.600 -0.065 0.000 2.689 67 c HA 0.048 4.617 4.570 -0.001 0.000 0.409 67 c C 0.646 174.655 174.090 -0.135 0.000 1.293 67 c CA -0.567 55.706 56.329 -0.093 0.000 2.136 67 c CB -0.056 42.425 42.510 -0.048 0.000 2.719 67 c HN 0.536 nan 8.230 nan 0.000 0.644 68 Q N 2.557 122.200 119.800 -0.261 0.000 2.274 68 Q HA 0.206 4.546 4.340 -0.001 0.000 0.280 68 Q C -0.020 175.938 176.000 -0.070 0.000 1.047 68 Q CA 0.980 56.616 55.803 -0.278 0.000 0.907 68 Q CB 0.457 28.782 28.738 -0.688 0.000 1.171 68 Q HN 0.887 nan 8.270 nan 0.000 0.381 69 Q N 1.386 121.223 119.800 0.062 0.000 2.687 69 Q HA 0.301 4.641 4.340 -0.001 0.000 0.295 69 Q C -1.323 174.846 176.000 0.281 0.000 0.920 69 Q CA -1.017 54.915 55.803 0.215 0.000 0.766 69 Q CB 0.746 29.571 28.738 0.145 0.000 1.467 69 Q HN 0.476 nan 8.270 nan 0.000 0.415 70 Y N 1.015 121.503 120.300 0.313 0.000 2.511 70 Y HA 0.388 4.937 4.550 -0.001 0.000 0.332 70 Y C -1.078 174.992 175.900 0.283 0.000 1.177 70 Y CA 0.195 58.510 58.100 0.359 0.000 1.422 70 Y CB 0.952 39.757 38.460 0.574 0.000 1.271 70 Y HN 0.429 nan 8.280 nan 0.000 0.550 71 V N 6.788 126.424 119.914 -0.463 0.000 2.384 71 V HA 0.122 4.241 4.120 -0.001 0.000 0.287 71 V C -0.639 175.124 176.094 -0.553 0.000 1.020 71 V CA -1.008 61.097 62.300 -0.324 0.000 0.850 71 V CB 1.411 33.139 31.823 -0.159 0.000 0.987 71 V HN 0.793 nan 8.190 nan 0.000 0.436 72 D N 3.849 124.154 120.400 -0.159 0.000 2.358 72 D HA 0.095 4.734 4.640 -0.001 0.000 0.258 72 D C 0.624 176.958 176.300 0.056 0.000 1.223 72 D CA 0.401 54.432 54.000 0.052 0.000 0.886 72 D CB 0.897 41.884 40.800 0.313 0.000 1.120 72 D HN 0.669 nan 8.370 nan 0.000 0.482 73 E N 2.361 122.567 120.200 0.010 0.000 2.603 73 E HA 0.000 4.350 4.350 -0.001 0.000 0.211 73 E C 1.109 177.680 176.600 -0.047 0.000 0.995 73 E CA -0.255 56.146 56.400 0.002 0.000 0.990 73 E CB 0.574 30.250 29.700 -0.040 0.000 1.036 73 E HN 0.463 nan 8.360 nan 0.000 0.475 74 Q N -0.444 119.297 119.800 -0.098 0.000 2.135 74 Q HA -0.098 4.241 4.340 -0.001 0.000 0.204 74 Q C -0.000 175.518 176.000 -0.803 0.000 0.981 74 Q CA 1.206 56.693 55.803 -0.527 0.000 0.856 74 Q CB 0.147 28.387 28.738 -0.830 0.000 0.902 74 Q HN 0.223 nan 8.270 nan 0.000 0.425 75 F N -0.060 119.962 119.950 0.120 0.000 2.622 75 F HA 0.341 4.868 4.527 -0.001 0.000 0.338 75 F C -2.164 173.717 175.800 0.134 0.000 1.334 75 F CA -2.855 55.200 58.000 0.091 0.000 1.179 75 F CB 0.998 40.053 39.000 0.092 0.000 1.471 75 F HN -0.208 nan 8.300 nan 0.000 0.576 76 P HA 0.125 nan 4.420 nan 0.000 0.258 76 P C 1.030 178.417 177.300 0.146 0.000 1.172 76 P CA 1.508 64.685 63.100 0.129 0.000 0.762 76 P CB 0.521 32.260 31.700 0.065 0.000 0.764 77 G N 3.085 111.961 108.800 0.128 0.000 2.268 77 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.240 77 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.240 77 G C 0.087 175.057 174.900 0.118 0.000 1.010 77 G CA -0.476 44.680 45.100 0.094 0.000 0.618 77 G HN 0.527 nan 8.290 nan 0.000 0.516 78 F N 3.535 123.492 119.950 0.011 0.000 2.541 78 F HA 0.465 4.992 4.527 -0.001 0.000 0.378 78 F C 1.780 177.528 175.800 -0.086 0.000 1.068 78 F CA 0.187 58.142 58.000 -0.075 0.000 1.199 78 F CB 1.099 40.047 39.000 -0.086 0.000 1.091 78 F HN 0.286 nan 8.300 nan 0.000 0.555 79 S N 3.325 118.651 115.700 -0.623 0.000 2.423 79 S HA -0.088 4.381 4.470 -0.001 0.000 0.231 79 S C 2.222 176.454 174.600 -0.614 0.000 1.014 79 S CA 0.788 58.677 58.200 -0.519 0.000 0.965 79 S CB -1.094 61.828 63.200 -0.463 0.000 0.785 79 S HN 0.810 nan 8.310 nan 0.000 0.495 80 G N 1.837 109.832 108.800 -1.342 0.000 2.442 80 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.219 80 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.219 80 G C 1.736 176.889 174.900 0.421 0.000 1.141 80 G CA 1.363 45.942 45.100 -0.868 0.000 0.763 80 G HN 0.806 nan 8.290 nan 0.000 0.554 81 S N -0.287 115.713 115.700 0.500 0.000 2.475 81 S HA 0.140 4.609 4.470 -0.001 0.000 0.224 81 S C 1.802 176.701 174.600 0.498 0.000 1.042 81 S CA 0.666 59.406 58.200 0.900 0.000 0.935 81 S CB -0.005 63.847 63.200 1.087 0.000 0.801 81 S HN 0.465 nan 8.310 nan 0.000 0.509 82 E N 1.974 122.310 120.200 0.227 0.000 2.347 82 E HA -0.025 4.325 4.350 -0.001 0.000 0.196 82 E C 1.921 178.483 176.600 -0.063 0.000 1.008 82 E CA 1.071 57.523 56.400 0.087 0.000 0.852 82 E CB -0.449 29.271 29.700 0.033 0.000 0.783 82 E HN 0.829 nan 8.360 nan 0.000 0.505 83 M N -1.889 117.585 119.600 -0.210 0.000 2.632 83 M HA -0.042 4.438 4.480 -0.001 0.000 0.256 83 M C 0.903 176.817 176.300 -0.644 0.000 1.080 83 M CA 1.309 56.314 55.300 -0.492 0.000 1.084 83 M CB -0.294 31.892 32.600 -0.689 0.000 1.439 83 M HN 0.038 nan 8.290 nan 0.000 0.509 84 W N 0.604 121.858 121.300 -0.077 0.000 2.993 84 W HA 0.295 4.955 4.660 -0.001 0.000 0.290 84 W C 0.450 176.888 176.519 -0.135 0.000 1.203 84 W CA -0.888 56.376 57.345 -0.135 0.000 1.582 84 W CB -0.010 29.397 29.460 -0.088 0.000 1.033 84 W HN 0.074 nan 8.180 nan 0.000 0.594 85 N N 2.852 121.601 118.700 0.082 0.000 2.444 85 N HA 0.090 4.830 4.740 -0.001 0.000 0.255 85 N C -2.266 173.207 175.510 -0.062 0.000 1.255 85 N CA -1.059 52.004 53.050 0.021 0.000 0.933 85 N CB -0.264 38.237 38.487 0.024 0.000 1.143 85 N HN -0.246 nan 8.380 nan 0.000 0.453 86 P HA 0.035 nan 4.420 nan 0.000 0.268 86 P C -0.114 177.124 177.300 -0.103 0.000 1.204 86 P CA -0.080 62.953 63.100 -0.111 0.000 0.768 86 P CB 0.419 32.061 31.700 -0.098 0.000 0.842 87 N N 2.246 120.869 118.700 -0.127 0.000 2.238 87 N HA 0.084 4.824 4.740 -0.001 0.000 0.222 87 N C 0.219 175.680 175.510 -0.082 0.000 1.133 87 N CA -0.138 52.848 53.050 -0.106 0.000 0.854 87 N CB 0.350 38.761 38.487 -0.127 0.000 1.041 87 N HN 0.223 nan 8.380 nan 0.000 0.510 88 R N -0.268 120.180 120.500 -0.086 0.000 2.836 88 R HA 0.316 4.655 4.340 -0.001 0.000 0.269 88 R C -0.724 175.537 176.300 -0.066 0.000 1.010 88 R CA -0.599 55.461 56.100 -0.067 0.000 0.930 88 R CB 1.136 31.392 30.300 -0.074 0.000 1.218 88 R HN 0.014 nan 8.270 nan 0.000 0.473 89 E N 1.224 121.389 120.200 -0.058 0.000 2.415 89 E HA 0.086 4.435 4.350 -0.001 0.000 0.262 89 E C 0.387 176.948 176.600 -0.066 0.000 1.038 89 E CA 0.151 56.517 56.400 -0.057 0.000 0.921 89 E CB 0.556 30.224 29.700 -0.053 0.000 0.950 89 E HN 0.275 nan 8.360 nan 0.000 0.438 90 M N 1.638 121.198 119.600 -0.067 0.000 2.342 90 M HA 0.469 4.948 4.480 -0.001 0.000 0.332 90 M C 0.255 176.501 176.300 -0.090 0.000 1.166 90 M CA -0.046 55.205 55.300 -0.082 0.000 1.086 90 M CB 1.624 34.175 32.600 -0.082 0.000 1.541 90 M HN 0.533 nan 8.290 nan 0.000 0.462 91 S N -0.101 115.532 115.700 -0.112 0.000 2.565 91 S HA 0.195 4.664 4.470 -0.001 0.000 0.274 91 S C -0.133 174.373 174.600 -0.156 0.000 1.144 91 S CA -0.676 57.454 58.200 -0.116 0.000 0.849 91 S CB 1.399 64.558 63.200 -0.068 0.000 1.103 91 S HN 0.834 nan 8.310 nan 0.000 0.455 92 E N 0.801 120.890 120.200 -0.185 0.000 2.347 92 E HA -0.057 4.293 4.350 -0.001 0.000 0.196 92 E C -0.286 176.247 176.600 -0.112 0.000 1.008 92 E CA 0.444 56.715 56.400 -0.215 0.000 0.852 92 E CB 0.120 29.689 29.700 -0.218 0.000 0.783 92 E HN 0.497 nan 8.360 nan 0.000 0.505 93 D N 0.471 120.840 120.400 -0.052 0.000 2.483 93 D HA -0.003 4.637 4.640 -0.001 0.000 0.220 93 D C -0.030 176.355 176.300 0.141 0.000 1.173 93 D CA -0.244 53.771 54.000 0.025 0.000 0.964 93 D CB -0.036 40.800 40.800 0.061 0.000 1.046 93 D HN 0.138 nan 8.370 nan 0.000 0.517 94 c N 2.420 121.074 118.600 0.090 0.000 3.626 94 c HA 0.390 4.959 4.570 -0.001 0.000 0.276 94 c C 0.536 174.703 174.090 0.128 0.000 1.694 94 c CA -0.713 55.730 56.329 0.190 0.000 1.785 94 c CB -1.272 41.271 42.510 0.054 0.000 3.152 94 c HN 0.406 nan 8.230 nan 0.000 0.571 95 L N 2.643 123.690 121.223 -0.293 0.000 2.375 95 L HA 0.450 4.789 4.340 -0.001 0.000 0.276 95 L C -0.904 175.218 176.870 -1.247 0.000 1.162 95 L CA 0.498 54.921 54.840 -0.696 0.000 0.991 95 L CB -0.514 41.006 42.059 -0.898 0.000 1.315 95 L HN 0.370 nan 8.230 nan 0.000 0.431 96 Y N 2.359 122.491 120.300 -0.280 0.000 2.609 96 Y HA 0.674 5.224 4.550 -0.001 0.000 0.342 96 Y C -0.202 175.836 175.900 0.232 0.000 1.058 96 Y CA -1.305 56.724 58.100 -0.119 0.000 1.055 96 Y CB 1.895 40.306 38.460 -0.082 0.000 1.292 96 Y HN 0.221 nan 8.280 nan 0.000 0.476 97 L N -0.207 121.195 121.223 0.298 0.000 2.350 97 L HA 0.775 5.115 4.340 -0.001 0.000 0.260 97 L C -1.338 175.587 176.870 0.092 0.000 1.015 97 L CA -1.179 53.781 54.840 0.200 0.000 0.821 97 L CB 1.874 43.976 42.059 0.072 0.000 1.370 97 L HN 0.474 nan 8.230 nan 0.000 0.416 98 N N 1.648 120.403 118.700 0.091 0.000 2.269 98 N HA 0.720 5.460 4.740 -0.001 0.000 0.304 98 N C -1.314 174.116 175.510 -0.133 0.000 1.072 98 N CA -0.217 52.793 53.050 -0.068 0.000 0.802 98 N CB 2.742 41.186 38.487 -0.071 0.000 1.348 98 N HN 0.658 nan 8.380 nan 0.000 0.484 99 I N 0.529 120.946 120.570 -0.255 0.000 2.466 99 I HA 0.379 4.548 4.170 -0.001 0.000 0.289 99 I C -0.738 175.316 176.117 -0.106 0.000 1.026 99 I CA -0.711 60.529 61.300 -0.100 0.000 1.078 99 I CB 2.180 40.060 38.000 -0.200 0.000 1.249 99 I HN 0.240 nan 8.210 nan 0.000 0.429 100 W N 6.003 127.442 121.300 0.232 0.000 2.376 100 W HA 0.555 5.214 4.660 -0.001 0.000 0.312 100 W C -0.968 175.696 176.519 0.242 0.000 1.060 100 W CA -0.617 56.863 57.345 0.226 0.000 1.221 100 W CB 2.059 31.625 29.460 0.175 0.000 1.281 100 W HN 0.092 nan 8.180 nan 0.000 0.456 101 V N 5.570 125.755 119.914 0.452 0.000 2.448 101 V HA 0.284 4.403 4.120 -0.001 0.000 0.295 101 V C -1.946 174.344 176.094 0.327 0.000 1.025 101 V CA -2.341 60.192 62.300 0.389 0.000 0.859 101 V CB 1.875 33.978 31.823 0.467 0.000 0.988 101 V HN 0.253 nan 8.190 nan 0.000 0.431 102 P HA 0.105 nan 4.420 nan 0.000 0.269 102 P C -0.578 176.852 177.300 0.217 0.000 1.217 102 P CA 0.242 63.480 63.100 0.231 0.000 0.783 102 P CB 0.519 32.320 31.700 0.168 0.000 0.898 103 S N 1.208 117.033 115.700 0.207 0.000 2.561 103 S HA 0.554 5.024 4.470 -0.001 0.000 0.303 103 S C -2.502 172.188 174.600 0.150 0.000 1.110 103 S CA -1.536 56.770 58.200 0.177 0.000 1.034 103 S CB 0.202 63.509 63.200 0.177 0.000 1.010 103 S HN 0.261 nan 8.310 nan 0.000 0.482 104 P HA 0.157 nan 4.420 nan 0.000 0.270 104 P C -0.498 176.876 177.300 0.124 0.000 1.223 104 P CA -0.541 62.626 63.100 0.113 0.000 0.785 104 P CB 0.388 32.140 31.700 0.087 0.000 0.923 105 R N 2.690 123.271 120.500 0.134 0.000 2.504 105 R HA 0.063 4.402 4.340 -0.001 0.000 0.291 105 R C -1.675 174.693 176.300 0.113 0.000 0.974 105 R CA -0.855 55.334 56.100 0.147 0.000 1.077 105 R CB -0.151 30.238 30.300 0.148 0.000 0.926 105 R HN 0.421 nan 8.270 nan 0.000 0.407 106 P HA 0.062 nan 4.420 nan 0.000 0.274 106 P C -0.587 176.753 177.300 0.067 0.000 1.256 106 P CA -0.317 62.833 63.100 0.084 0.000 0.795 106 P CB 0.815 32.568 31.700 0.089 0.000 1.038 107 K N -0.372 120.054 120.400 0.044 0.000 2.168 107 K HA 0.106 4.425 4.320 -0.001 0.000 0.201 107 K C 0.863 177.467 176.600 0.008 0.000 1.049 107 K CA 0.882 57.184 56.287 0.024 0.000 0.974 107 K CB -0.290 32.219 32.500 0.016 0.000 0.792 107 K HN 0.455 nan 8.250 nan 0.000 0.463 108 S N 0.939 116.645 115.700 0.010 0.000 2.777 108 S HA 0.122 4.592 4.470 -0.001 0.000 0.140 108 S C -1.000 173.603 174.600 0.005 0.000 1.233 108 S CA -0.372 57.824 58.200 -0.006 0.000 1.157 108 S CB 0.217 63.402 63.200 -0.025 0.000 1.600 108 S HN 0.132 nan 8.310 nan 0.000 0.432 109 T N 1.805 116.374 114.554 0.024 0.000 2.936 109 T HA 0.575 4.925 4.350 -0.001 0.000 0.282 109 T C 0.224 174.941 174.700 0.028 0.000 1.003 109 T CA 0.000 62.117 62.100 0.028 0.000 1.005 109 T CB 1.126 70.022 68.868 0.047 0.000 1.097 109 T HN 0.458 nan 8.240 nan 0.000 0.532 110 T N 2.253 116.819 114.554 0.021 0.000 2.933 110 T HA 0.292 4.641 4.350 -0.001 0.000 0.306 110 T C -0.275 174.452 174.700 0.045 0.000 1.045 110 T CA -0.162 61.947 62.100 0.016 0.000 1.143 110 T CB 0.172 69.038 68.868 -0.004 0.000 1.003 110 T HN 0.400 nan 8.240 nan 0.000 0.540 111 V N 4.905 124.851 119.914 0.052 0.000 2.555 111 V HA 0.533 4.653 4.120 -0.001 0.000 0.302 111 V C -0.043 176.114 176.094 0.105 0.000 1.038 111 V CA -0.792 61.563 62.300 0.092 0.000 0.887 111 V CB 1.782 33.661 31.823 0.094 0.000 0.991 111 V HN 0.833 nan 8.190 nan 0.000 0.434 112 M N 4.315 124.009 119.600 0.157 0.000 2.197 112 M HA 0.551 5.031 4.480 -0.001 0.000 0.301 112 M C -1.370 175.187 176.300 0.428 0.000 0.987 112 M CA -0.614 54.808 55.300 0.204 0.000 0.921 112 M CB 2.260 34.870 32.600 0.016 0.000 1.569 112 M HN 0.359 nan 8.290 nan 0.000 0.431 113 V N 3.082 123.282 119.914 0.477 0.000 2.384 113 V HA 0.359 4.478 4.120 -0.001 0.000 0.287 113 V C -0.787 175.592 176.094 0.475 0.000 1.020 113 V CA -0.609 61.943 62.300 0.419 0.000 0.850 113 V CB 1.559 33.502 31.823 0.200 0.000 0.987 113 V HN 0.862 nan 8.190 nan 0.000 0.436 114 W N 6.936 128.319 121.300 0.139 0.000 2.351 114 W HA 0.640 5.299 4.660 -0.001 0.000 0.311 114 W C -1.344 175.071 176.519 -0.173 0.000 1.168 114 W CA -0.786 56.387 57.345 -0.286 0.000 1.200 114 W CB 1.255 30.579 29.460 -0.227 0.000 1.221 114 W HN 0.442 nan 8.180 nan 0.000 0.519 115 I N 9.131 129.060 120.570 -1.067 0.000 2.382 115 I HA 0.067 4.236 4.170 -0.001 0.000 0.285 115 I C -0.239 175.131 176.117 -1.245 0.000 1.007 115 I CA -1.124 59.652 61.300 -0.874 0.000 1.142 115 I CB 0.702 38.365 38.000 -0.561 0.000 1.289 115 I HN 0.296 nan 8.210 nan 0.000 0.453 116 Y N 4.703 124.559 120.300 -0.740 0.000 2.457 116 Y HA 0.648 5.198 4.550 -0.001 0.000 0.341 116 Y C 0.712 176.467 175.900 -0.242 0.000 1.240 116 Y CA -0.855 56.935 58.100 -0.517 0.000 1.437 116 Y CB -0.066 38.341 38.460 -0.089 0.000 1.328 116 Y HN 0.518 nan 8.280 nan 0.000 0.588 117 G N -0.715 108.131 108.800 0.076 0.000 2.583 117 G HA2 0.503 4.463 3.960 -0.001 0.000 0.280 117 G HA3 0.503 4.463 3.960 -0.001 0.000 0.280 117 G C 0.242 175.103 174.900 -0.065 0.000 1.376 117 G CA -0.941 44.127 45.100 -0.054 0.000 1.043 117 G HN 1.712 nan 8.290 nan 0.000 0.538 118 G N -2.833 105.771 108.800 -0.327 0.000 2.332 118 G HA2 0.413 4.372 3.960 -0.001 0.000 0.216 118 G HA3 0.413 4.372 3.960 -0.001 0.000 0.216 118 G C 1.016 175.373 174.900 -0.906 0.000 1.041 118 G CA 0.722 45.484 45.100 -0.562 0.000 0.836 118 G HN 2.303 nan 8.290 nan 0.000 0.530 119 G N -0.432 107.869 108.800 -0.832 0.000 2.233 119 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.270 119 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.270 119 G C 0.932 175.593 174.900 -0.399 0.000 1.011 119 G CA 0.807 45.252 45.100 -1.091 0.000 0.762 119 G HN 1.728 nan 8.290 nan 0.000 0.511 120 F N -3.442 116.416 119.950 -0.153 0.000 2.825 120 F HA -0.315 4.212 4.527 -0.001 0.000 0.358 120 F C 1.477 177.363 175.800 0.144 0.000 0.639 120 F CA 2.158 60.175 58.000 0.030 0.000 1.153 120 F CB -2.053 36.822 39.000 -0.208 0.000 1.610 120 F HN 0.917 nan 8.300 nan 0.000 0.305 121 Y N -0.924 119.432 120.300 0.093 0.000 2.500 121 Y HA 0.659 5.209 4.550 -0.001 0.000 0.246 121 Y C 0.614 176.604 175.900 0.149 0.000 1.146 121 Y CA 0.252 58.428 58.100 0.127 0.000 1.230 121 Y CB 0.027 38.469 38.460 -0.031 0.000 1.214 121 Y HN 0.105 nan 8.280 nan 0.000 0.526 122 S N -0.815 114.628 115.700 -0.428 0.000 2.672 122 S HA 0.876 5.346 4.470 -0.001 0.000 0.271 122 S C -0.281 174.141 174.600 -0.297 0.000 1.171 122 S CA -0.488 57.524 58.200 -0.314 0.000 0.817 122 S CB 1.414 64.340 63.200 -0.457 0.000 1.150 122 S HN 1.312 nan 8.310 nan 0.000 0.478 123 G N -0.275 108.325 108.800 -0.333 0.000 2.453 123 G HA2 0.434 4.394 3.960 -0.001 0.000 0.665 123 G HA3 0.434 4.394 3.960 -0.001 0.000 0.665 123 G C -1.066 173.193 174.900 -1.069 0.000 1.411 123 G CA -0.307 44.424 45.100 -0.616 0.000 0.889 123 G HN 1.373 nan 8.290 nan 0.000 0.651 124 S N -0.830 114.227 115.700 -1.072 0.000 2.541 124 S HA 0.703 5.172 4.470 -0.001 0.000 0.271 124 S C 0.947 175.365 174.600 -0.303 0.000 1.133 124 S CA 0.057 57.838 58.200 -0.699 0.000 0.876 124 S CB 1.840 64.846 63.200 -0.323 0.000 1.105 124 S HN 1.912 nan 8.310 nan 0.000 0.470 125 S N -0.156 115.574 115.700 0.050 0.000 2.528 125 S HA -0.049 4.420 4.470 -0.001 0.000 0.219 125 S C 1.397 176.111 174.600 0.189 0.000 0.985 125 S CA 0.802 59.239 58.200 0.395 0.000 0.914 125 S CB -0.615 62.854 63.200 0.447 0.000 0.776 125 S HN 0.841 nan 8.310 nan 0.000 0.526 126 T N 0.322 114.781 114.554 -0.159 0.000 3.107 126 T HA 0.387 4.736 4.350 -0.001 0.000 0.249 126 T C 0.549 174.986 174.700 -0.439 0.000 1.096 126 T CA -0.498 61.219 62.100 -0.638 0.000 1.012 126 T CB -0.627 67.718 68.868 -0.871 0.000 0.977 126 T HN 0.314 nan 8.240 nan 0.000 0.527 127 L N 2.006 123.044 121.223 -0.307 0.000 2.483 127 L HA 0.129 4.469 4.340 -0.001 0.000 0.276 127 L C 1.363 177.990 176.870 -0.405 0.000 1.213 127 L CA -0.451 54.114 54.840 -0.459 0.000 0.843 127 L CB 0.339 41.899 42.059 -0.831 0.000 1.107 127 L HN 0.085 nan 8.230 nan 0.000 0.487 128 D N 1.163 121.350 120.400 -0.354 0.000 2.149 128 D HA -0.139 4.501 4.640 -0.001 0.000 0.198 128 D C 1.983 178.091 176.300 -0.321 0.000 0.990 128 D CA 1.365 55.222 54.000 -0.239 0.000 0.839 128 D CB -0.026 40.654 40.800 -0.201 0.000 0.948 128 D HN 0.537 nan 8.370 nan 0.000 0.460 129 V N -1.184 118.404 119.914 -0.543 0.000 3.078 129 V HA -0.159 3.960 4.120 -0.001 0.000 0.265 129 V C 1.253 176.929 176.094 -0.696 0.000 1.122 129 V CA 1.059 63.021 62.300 -0.563 0.000 1.141 129 V CB -1.104 30.308 31.823 -0.684 0.000 0.735 129 V HN 0.065 nan 8.190 nan 0.000 0.498 130 Y N -0.100 119.739 120.300 -0.768 0.000 2.485 130 Y HA 0.427 4.976 4.550 -0.001 0.000 0.260 130 Y C 1.137 176.595 175.900 -0.736 0.000 1.173 130 Y CA -1.745 55.581 58.100 -1.289 0.000 1.252 130 Y CB -0.956 37.095 38.460 -0.682 0.000 1.123 130 Y HN 0.266 nan 8.280 nan 0.000 0.524 131 N N 1.537 120.075 118.700 -0.270 0.000 2.414 131 N HA -0.040 4.700 4.740 -0.001 0.000 0.268 131 N C 1.293 176.521 175.510 -0.471 0.000 1.286 131 N CA 0.698 53.581 53.050 -0.278 0.000 0.896 131 N CB 1.127 39.538 38.487 -0.127 0.000 1.093 131 N HN 0.476 nan 8.380 nan 0.000 0.480 132 G N 3.248 111.220 108.800 -1.380 0.000 2.920 132 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.208 132 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.208 132 G C 1.425 175.769 174.900 -0.928 0.000 1.159 132 G CA 0.229 44.759 45.100 -0.951 0.000 0.784 132 G HN 0.745 nan 8.290 nan 0.000 0.535 133 K N -0.408 119.242 120.400 -1.251 0.000 2.097 133 K HA -0.124 4.196 4.320 -0.001 0.000 0.205 133 K C 1.742 178.145 176.600 -0.328 0.000 1.050 133 K CA 1.034 56.925 56.287 -0.659 0.000 0.938 133 K CB -0.517 31.642 32.500 -0.568 0.000 0.718 133 K HN 0.276 nan 8.250 nan 0.000 0.442 134 Y N 1.280 121.510 120.300 -0.117 0.000 2.145 134 Y HA -0.153 4.396 4.550 -0.001 0.000 0.286 134 Y C 2.351 178.260 175.900 0.015 0.000 1.145 134 Y CA 0.856 58.947 58.100 -0.015 0.000 1.148 134 Y CB -0.650 37.774 38.460 -0.059 0.000 0.981 134 Y HN 0.058 nan 8.280 nan 0.000 0.507 135 L N 0.102 121.371 121.223 0.078 0.000 2.072 135 L HA 0.006 4.346 4.340 -0.001 0.000 0.205 135 L C 2.350 179.244 176.870 0.039 0.000 1.079 135 L CA 1.837 56.678 54.840 0.002 0.000 0.752 135 L CB -1.242 40.734 42.059 -0.138 0.000 0.906 135 L HN 0.124 nan 8.230 nan 0.000 0.436 136 A N -1.194 121.663 122.820 0.062 0.000 1.883 136 A HA -0.304 4.016 4.320 -0.001 0.000 0.217 136 A C 2.325 180.002 177.584 0.154 0.000 1.186 136 A CA 2.025 54.146 52.037 0.140 0.000 0.624 136 A CB -1.220 17.924 19.000 0.239 0.000 0.822 136 A HN 0.643 nan 8.150 nan 0.000 0.444 137 Y N 1.008 121.335 120.300 0.046 0.000 2.184 137 Y HA -0.129 4.420 4.550 -0.001 0.000 0.290 137 Y C 2.592 178.520 175.900 0.047 0.000 1.129 137 Y CA 2.278 60.408 58.100 0.051 0.000 1.144 137 Y CB -0.673 37.803 38.460 0.028 0.000 0.995 137 Y HN 0.280 nan 8.280 nan 0.000 0.513 138 T N 0.384 114.892 114.554 -0.076 0.000 2.777 138 T HA -0.112 4.238 4.350 -0.001 0.000 0.266 138 T C 1.332 175.955 174.700 -0.129 0.000 1.040 138 T CA 1.679 63.675 62.100 -0.172 0.000 1.141 138 T CB -0.100 68.773 68.868 0.007 0.000 0.868 138 T HN 0.321 nan 8.240 nan 0.000 0.444 139 E N 0.603 120.782 120.200 -0.035 0.000 2.474 139 E HA 0.095 4.445 4.350 -0.001 0.000 0.195 139 E C 0.056 176.662 176.600 0.010 0.000 1.039 139 E CA 0.043 56.453 56.400 0.017 0.000 0.881 139 E CB 0.135 29.867 29.700 0.052 0.000 0.970 139 E HN 0.589 nan 8.360 nan 0.000 0.486 140 E N 0.196 120.390 120.200 -0.010 0.000 2.271 140 E HA -0.162 4.188 4.350 -0.001 0.000 0.223 140 E C -0.159 176.475 176.600 0.057 0.000 1.223 140 E CA 0.456 56.869 56.400 0.021 0.000 0.704 140 E CB -1.970 27.730 29.700 -0.000 0.000 1.194 140 E HN 0.117 nan 8.360 nan 0.000 0.375 141 V N -3.672 116.288 119.914 0.078 0.000 2.960 141 V HA 0.665 4.784 4.120 -0.001 0.000 0.315 141 V C 0.453 176.633 176.094 0.144 0.000 1.087 141 V CA -1.114 61.239 62.300 0.089 0.000 0.982 141 V CB 2.259 34.119 31.823 0.063 0.000 1.039 141 V HN -0.026 nan 8.190 nan 0.000 0.437 142 V N 3.692 123.698 119.914 0.153 0.000 2.408 142 V HA 0.355 4.475 4.120 -0.001 0.000 0.267 142 V C -0.028 176.208 176.094 0.236 0.000 1.047 142 V CA -0.014 62.408 62.300 0.204 0.000 0.937 142 V CB 0.860 32.786 31.823 0.173 0.000 0.999 142 V HN 0.772 nan 8.190 nan 0.000 0.472 143 L N 7.118 128.540 121.223 0.332 0.000 2.272 143 L HA 0.634 4.974 4.340 -0.001 0.000 0.289 143 L C -0.453 176.724 176.870 0.511 0.000 1.032 143 L CA 0.122 55.209 54.840 0.412 0.000 0.810 143 L CB 1.502 43.809 42.059 0.413 0.000 1.205 143 L HN 0.431 nan 8.230 nan 0.000 0.422 144 V N 3.385 123.566 119.914 0.445 0.000 2.555 144 V HA 0.644 4.764 4.120 -0.001 0.000 0.302 144 V C -0.342 176.033 176.094 0.468 0.000 1.038 144 V CA -0.505 62.024 62.300 0.382 0.000 0.887 144 V CB 1.978 33.940 31.823 0.232 0.000 0.991 144 V HN 0.848 nan 8.190 nan 0.000 0.434 145 S N 4.831 120.809 115.700 0.463 0.000 2.605 145 S HA 0.812 5.281 4.470 -0.001 0.000 0.308 145 S C -0.804 173.990 174.600 0.324 0.000 1.113 145 S CA -0.779 57.715 58.200 0.490 0.000 1.049 145 S CB 1.441 65.045 63.200 0.672 0.000 1.001 145 S HN 0.663 nan 8.310 nan 0.000 0.480 146 L N 0.975 122.326 121.223 0.214 0.000 2.544 146 L HA 0.997 5.337 4.340 -0.001 0.000 0.256 146 L C 0.166 177.185 176.870 0.249 0.000 1.097 146 L CA -0.682 54.251 54.840 0.154 0.000 0.812 146 L CB 0.174 42.202 42.059 -0.051 0.000 1.440 146 L HN 0.865 nan 8.230 nan 0.000 0.496 147 S N -1.559 114.344 115.700 0.339 0.000 2.618 147 S HA 0.902 5.371 4.470 -0.001 0.000 0.277 147 S C -1.281 173.565 174.600 0.410 0.000 1.138 147 S CA -0.523 57.903 58.200 0.376 0.000 0.844 147 S CB 1.579 65.037 63.200 0.431 0.000 1.127 147 S HN 1.207 nan 8.310 nan 0.000 0.474 148 Y N -1.796 118.615 120.300 0.185 0.000 2.604 148 Y HA 0.669 5.218 4.550 -0.001 0.000 0.331 148 Y C -0.800 175.222 175.900 0.203 0.000 1.158 148 Y CA -1.385 56.811 58.100 0.159 0.000 1.056 148 Y CB 0.648 39.148 38.460 0.067 0.000 1.330 148 Y HN 0.781 nan 8.280 nan 0.000 0.457 149 R N 1.867 122.496 120.500 0.214 0.000 2.570 149 R HA 0.510 4.849 4.340 -0.001 0.000 0.277 149 R C -0.137 176.316 176.300 0.254 0.000 1.039 149 R CA -0.036 56.149 56.100 0.142 0.000 1.065 149 R CB 0.790 31.145 30.300 0.090 0.000 0.964 149 R HN 0.694 nan 8.270 nan 0.000 0.428 150 V N -0.237 119.854 119.914 0.295 0.000 3.181 150 V HA 0.897 5.017 4.120 -0.001 0.000 0.314 150 V C 0.711 177.128 176.094 0.538 0.000 1.173 150 V CA -0.158 62.443 62.300 0.501 0.000 1.052 150 V CB 1.169 33.188 31.823 0.327 0.000 1.123 150 V HN 0.978 nan 8.190 nan 0.000 0.454 151 G N 0.313 109.475 108.800 0.604 0.000 2.601 151 G HA2 0.044 4.004 3.960 -0.001 0.000 0.261 151 G HA3 0.044 4.004 3.960 -0.001 0.000 0.261 151 G C 0.997 176.099 174.900 0.336 0.000 1.289 151 G CA 0.942 46.349 45.100 0.512 0.000 0.920 151 G HN 2.229 nan 8.290 nan 0.000 0.571 152 A N -1.338 121.373 122.820 -0.182 0.000 1.940 152 A HA 0.158 4.477 4.320 -0.001 0.000 0.219 152 A C 2.248 179.709 177.584 -0.203 0.000 1.176 152 A CA 2.638 54.212 52.037 -0.771 0.000 0.631 152 A CB -0.548 17.770 19.000 -1.137 0.000 0.814 152 A HN 1.025 nan 8.150 nan 0.000 0.446 153 F N 0.017 120.019 119.950 0.087 0.000 2.192 153 F HA -0.093 4.434 4.527 -0.001 0.000 0.301 153 F C 2.419 178.228 175.800 0.016 0.000 1.079 153 F CA 1.343 59.366 58.000 0.037 0.000 1.303 153 F CB -0.599 38.381 39.000 -0.033 0.000 1.024 153 F HN 0.305 nan 8.300 nan 0.000 0.494 154 G N -2.822 106.056 108.800 0.131 0.000 2.944 154 G HA2 0.096 4.056 3.960 -0.001 0.000 0.220 154 G HA3 0.096 4.056 3.960 -0.001 0.000 0.220 154 G C 0.671 175.115 174.900 -0.761 0.000 1.100 154 G CA 0.043 44.974 45.100 -0.282 0.000 0.780 154 G HN 0.320 nan 8.290 nan 0.000 0.539 155 F N -0.276 119.758 119.950 0.140 0.000 2.880 155 F HA 0.431 4.958 4.527 -0.001 0.000 0.328 155 F C 0.264 176.111 175.800 0.077 0.000 1.146 155 F CA -0.993 57.067 58.000 0.101 0.000 1.135 155 F CB 0.503 39.581 39.000 0.130 0.000 1.151 155 F HN -0.083 nan 8.300 nan 0.000 0.523 156 L N 2.267 123.491 121.223 0.001 0.000 2.513 156 L HA 0.497 4.837 4.340 -0.001 0.000 0.272 156 L C 0.169 177.002 176.870 -0.062 0.000 1.187 156 L CA 0.190 54.920 54.840 -0.184 0.000 0.895 156 L CB 0.325 41.984 42.059 -0.667 0.000 1.147 156 L HN 0.158 nan 8.230 nan 0.000 0.483 157 A N 6.994 129.832 122.820 0.030 0.000 2.310 157 A HA 0.618 4.937 4.320 -0.001 0.000 0.304 157 A C -0.728 176.868 177.584 0.020 0.000 1.231 157 A CA -0.479 51.580 52.037 0.037 0.000 0.799 157 A CB 0.509 19.562 19.000 0.088 0.000 1.162 157 A HN 0.729 nan 8.150 nan 0.000 0.486 158 L N 3.559 124.783 121.223 0.002 0.000 2.581 158 L HA 0.221 4.561 4.340 -0.001 0.000 0.241 158 L C 0.013 176.912 176.870 0.049 0.000 1.265 158 L CA -0.768 54.076 54.840 0.006 0.000 0.954 158 L CB 0.220 42.249 42.059 -0.051 0.000 1.269 158 L HN 0.895 nan 8.230 nan 0.000 0.475 159 H N 1.494 120.561 119.070 -0.004 0.000 3.140 159 H HA 0.208 4.764 4.556 -0.001 0.000 0.316 159 H C 1.126 176.457 175.328 0.005 0.000 0.986 159 H CA 1.704 57.756 56.048 0.008 0.000 1.397 159 H CB 0.723 30.494 29.762 0.015 0.000 1.377 159 H HN 0.685 nan 8.280 nan 0.000 0.585 160 G N 2.715 111.237 108.800 -0.462 0.000 2.436 160 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.204 160 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.204 160 G C 0.303 175.108 174.900 -0.159 0.000 1.026 160 G CA 0.146 45.058 45.100 -0.314 0.000 0.658 160 G HN 1.086 nan 8.290 nan 0.000 0.499 161 S N 0.340 115.982 115.700 -0.097 0.000 2.616 161 S HA 0.681 5.151 4.470 -0.001 0.000 0.277 161 S C 0.665 175.245 174.600 -0.033 0.000 1.234 161 S CA -0.039 58.131 58.200 -0.049 0.000 1.028 161 S CB 1.991 65.174 63.200 -0.029 0.000 0.988 161 S HN 0.157 nan 8.310 nan 0.000 0.522 162 Q N 0.365 120.158 119.800 -0.012 0.000 2.282 162 Q HA 0.216 4.555 4.340 -0.001 0.000 0.206 162 Q C 0.729 176.745 176.000 0.027 0.000 0.878 162 Q CA 0.188 55.994 55.803 0.006 0.000 0.944 162 Q CB 0.245 28.986 28.738 0.005 0.000 1.100 162 Q HN 0.736 nan 8.270 nan 0.000 0.509 163 E N 0.291 120.509 120.200 0.030 0.000 2.250 163 E HA 0.126 4.476 4.350 -0.001 0.000 0.192 163 E C 0.154 176.805 176.600 0.084 0.000 0.986 163 E CA 0.385 56.821 56.400 0.060 0.000 0.849 163 E CB 0.692 30.429 29.700 0.062 0.000 0.797 163 E HN 0.119 nan 8.360 nan 0.000 0.482 164 A N 1.637 124.477 122.820 0.033 0.000 3.422 164 A HA 0.273 4.592 4.320 -0.001 0.000 0.271 164 A C -2.092 175.490 177.584 -0.005 0.000 1.104 164 A CA -0.801 51.237 52.037 0.001 0.000 0.899 164 A CB 0.627 19.531 19.000 -0.160 0.000 1.309 164 A HN -0.123 nan 8.150 nan 0.000 0.580 165 P HA 0.127 nan 4.420 nan 0.000 0.223 165 P C 0.918 178.268 177.300 0.083 0.000 1.151 165 P CA 1.855 64.990 63.100 0.058 0.000 0.787 165 P CB 0.227 31.963 31.700 0.060 0.000 0.788 166 G N 0.513 109.343 108.800 0.050 0.000 2.663 166 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.686 166 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.686 166 G C -0.117 174.797 174.900 0.024 0.000 1.288 166 G CA -0.280 44.856 45.100 0.059 0.000 0.836 166 G HN 0.127 nan 8.290 nan 0.000 0.584 167 N N -2.398 116.320 118.700 0.029 0.000 2.778 167 N HA -0.292 4.448 4.740 -0.001 0.000 0.249 167 N C 1.944 177.319 175.510 -0.224 0.000 1.069 167 N CA 2.499 55.496 53.050 -0.088 0.000 0.831 167 N CB -1.651 36.714 38.487 -0.203 0.000 1.142 167 N HN 1.914 nan 8.380 nan 0.000 0.573 168 V N -2.740 117.040 119.914 -0.224 0.000 2.594 168 V HA -0.001 4.118 4.120 -0.001 0.000 0.253 168 V C 2.301 178.264 176.094 -0.218 0.000 1.069 168 V CA 2.264 64.472 62.300 -0.154 0.000 1.082 168 V CB -0.901 30.879 31.823 -0.072 0.000 0.680 168 V HN 0.279 nan 8.190 nan 0.000 0.469 169 G N 0.335 108.797 108.800 -0.562 0.000 2.422 169 G HA2 -0.114 3.846 3.960 -0.001 0.000 0.218 169 G HA3 -0.114 3.846 3.960 -0.001 0.000 0.218 169 G C 1.539 176.386 174.900 -0.089 0.000 1.140 169 G CA 1.038 45.906 45.100 -0.387 0.000 0.775 169 G HN 0.532 nan 8.290 nan 0.000 0.545 170 L N -0.154 120.983 121.223 -0.143 0.000 2.156 170 L HA 0.111 4.451 4.340 -0.001 0.000 0.208 170 L C 2.747 179.668 176.870 0.085 0.000 1.095 170 L CA 0.328 55.094 54.840 -0.124 0.000 0.770 170 L CB -0.206 41.487 42.059 -0.610 0.000 0.914 170 L HN 0.185 nan 8.230 nan 0.000 0.439 171 L N -0.750 120.513 121.223 0.066 0.000 2.217 171 L HA -0.164 4.176 4.340 -0.001 0.000 0.211 171 L C 2.069 179.024 176.870 0.141 0.000 1.107 171 L CA 0.640 55.578 54.840 0.163 0.000 0.783 171 L CB -0.527 41.605 42.059 0.122 0.000 0.919 171 L HN 0.256 nan 8.230 nan 0.000 0.442 172 D N 0.081 120.560 120.400 0.133 0.000 2.097 172 D HA -0.196 4.444 4.640 -0.001 0.000 0.195 172 D C 2.261 178.645 176.300 0.142 0.000 0.989 172 D CA 1.171 55.313 54.000 0.236 0.000 0.827 172 D CB -0.145 40.830 40.800 0.291 0.000 0.966 172 D HN 0.370 nan 8.370 nan 0.000 0.456 173 Q N 0.178 120.018 119.800 0.066 0.000 2.061 173 Q HA -0.152 4.188 4.340 -0.001 0.000 0.204 173 Q C 2.301 178.212 176.000 -0.147 0.000 0.984 173 Q CA 1.117 56.879 55.803 -0.069 0.000 0.846 173 Q CB -0.060 28.664 28.738 -0.024 0.000 0.902 173 Q HN 0.193 nan 8.270 nan 0.000 0.421 174 R N 0.600 121.092 120.500 -0.013 0.000 2.073 174 R HA -0.151 4.188 4.340 -0.001 0.000 0.234 174 R C 2.227 178.492 176.300 -0.058 0.000 1.134 174 R CA 1.575 57.644 56.100 -0.053 0.000 0.952 174 R CB -0.198 30.167 30.300 0.109 0.000 0.850 174 R HN 0.273 nan 8.270 nan 0.000 0.433 175 M N 0.041 119.638 119.600 -0.007 0.000 2.213 175 M HA -0.120 4.359 4.480 -0.001 0.000 0.263 175 M C 2.038 178.262 176.300 -0.127 0.000 1.062 175 M CA 1.944 57.264 55.300 0.034 0.000 1.105 175 M CB -0.006 32.711 32.600 0.196 0.000 1.385 175 M HN 0.323 nan 8.290 nan 0.000 0.417 176 A N 0.202 122.697 122.820 -0.542 0.000 1.930 176 A HA -0.086 4.234 4.320 -0.001 0.000 0.217 176 A C 1.977 179.421 177.584 -0.233 0.000 1.175 176 A CA 1.234 52.767 52.037 -0.841 0.000 0.627 176 A CB -0.864 17.433 19.000 -1.172 0.000 0.815 176 A HN 0.570 nan 8.150 nan 0.000 0.443 177 L N -1.046 120.073 121.223 -0.174 0.000 2.141 177 L HA -0.192 4.147 4.340 -0.001 0.000 0.209 177 L C 2.805 179.704 176.870 0.048 0.000 1.094 177 L CA 1.560 56.367 54.840 -0.054 0.000 0.763 177 L CB -0.393 41.596 42.059 -0.117 0.000 0.908 177 L HN 0.475 nan 8.230 nan 0.000 0.437 178 Q N -0.372 119.451 119.800 0.040 0.000 2.119 178 Q HA -0.243 4.097 4.340 -0.001 0.000 0.201 178 Q C 1.992 178.094 176.000 0.171 0.000 0.972 178 Q CA 1.787 57.638 55.803 0.081 0.000 0.847 178 Q CB -0.402 28.373 28.738 0.063 0.000 0.903 178 Q HN 0.463 nan 8.270 nan 0.000 0.433 179 W N -0.755 120.553 121.300 0.012 0.000 2.358 179 W HA -0.142 4.518 4.660 -0.001 0.000 0.303 179 W C 1.845 178.401 176.519 0.062 0.000 1.208 179 W CA 1.608 58.986 57.345 0.054 0.000 1.274 179 W CB -0.172 29.317 29.460 0.049 0.000 1.138 179 W HN -0.002 nan 8.180 nan 0.000 0.515 180 V N -0.094 120.020 119.914 0.333 0.000 2.295 180 V HA -0.370 3.750 4.120 -0.001 0.000 0.246 180 V C 2.190 178.319 176.094 0.059 0.000 1.049 180 V CA 2.464 64.888 62.300 0.206 0.000 1.024 180 V CB -1.329 30.600 31.823 0.176 0.000 0.648 180 V HN 0.336 nan 8.190 nan 0.000 0.447 181 H N 0.627 119.694 119.070 -0.005 0.000 2.319 181 H HA -0.188 4.367 4.556 -0.001 0.000 0.297 181 H C 1.948 177.209 175.328 -0.112 0.000 1.097 181 H CA 2.286 58.308 56.048 -0.044 0.000 1.285 181 H CB -0.067 29.680 29.762 -0.024 0.000 1.368 181 H HN 0.431 nan 8.280 nan 0.000 0.495 182 D N -0.809 119.550 120.400 -0.067 0.000 2.289 182 D HA -0.049 4.590 4.640 -0.001 0.000 0.207 182 D C 0.989 177.107 176.300 -0.303 0.000 0.966 182 D CA 0.660 54.552 54.000 -0.180 0.000 0.868 182 D CB 0.088 40.825 40.800 -0.105 0.000 0.943 182 D HN 0.524 nan 8.370 nan 0.000 0.514 183 N N -0.130 118.317 118.700 -0.421 0.000 2.193 183 N HA 0.030 4.770 4.740 -0.001 0.000 0.210 183 N C 1.483 176.918 175.510 -0.126 0.000 1.215 183 N CA -0.181 52.652 53.050 -0.362 0.000 0.901 183 N CB 1.017 38.906 38.487 -0.996 0.000 1.060 183 N HN 0.009 nan 8.380 nan 0.000 0.508 184 I N 3.112 123.616 120.570 -0.110 0.000 2.530 184 I HA -0.252 3.918 4.170 -0.001 0.000 0.257 184 I C 2.566 178.687 176.117 0.008 0.000 1.179 184 I CA 1.300 62.640 61.300 0.066 0.000 1.440 184 I CB -0.194 37.822 38.000 0.028 0.000 1.087 184 I HN 0.209 nan 8.210 nan 0.000 0.440 185 Q N -0.690 118.937 119.800 -0.289 0.000 2.170 185 Q HA -0.237 4.102 4.340 -0.001 0.000 0.203 185 Q C 1.842 177.626 176.000 -0.360 0.000 0.976 185 Q CA 1.735 57.302 55.803 -0.394 0.000 0.858 185 Q CB -0.840 27.518 28.738 -0.633 0.000 0.907 185 Q HN 0.420 nan 8.270 nan 0.000 0.433 186 F N -0.288 119.618 119.950 -0.074 0.000 2.604 186 F HA 0.102 4.629 4.527 -0.001 0.000 0.298 186 F C 0.907 176.506 175.800 -0.336 0.000 1.131 186 F CA 0.308 58.172 58.000 -0.226 0.000 1.457 186 F CB -0.081 38.707 39.000 -0.353 0.000 1.095 186 F HN 0.005 nan 8.300 nan 0.000 0.574 187 F N -0.559 119.399 119.950 0.013 0.000 2.664 187 F HA 0.415 4.942 4.527 -0.001 0.000 0.303 187 F C 1.770 177.583 175.800 0.022 0.000 1.092 187 F CA 0.295 58.283 58.000 -0.020 0.000 1.305 187 F CB 0.024 38.985 39.000 -0.065 0.000 1.054 187 F HN 0.034 nan 8.300 nan 0.000 0.565 188 G N 0.230 109.108 108.800 0.129 0.000 2.157 188 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.239 188 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.239 188 G C 0.577 175.522 174.900 0.075 0.000 0.982 188 G CA -0.251 44.902 45.100 0.088 0.000 0.650 188 G HN 0.716 nan 8.290 nan 0.000 0.527 189 G N -0.446 108.403 108.800 0.081 0.000 2.425 189 G HA2 0.509 4.468 3.960 -0.001 0.000 0.302 189 G HA3 0.509 4.468 3.960 -0.001 0.000 0.302 189 G C -0.808 174.083 174.900 -0.015 0.000 1.159 189 G CA 0.275 45.407 45.100 0.052 0.000 0.865 189 G HN 0.285 nan 8.290 nan 0.000 0.515 190 D N 1.491 121.881 120.400 -0.016 0.000 2.359 190 D HA 0.286 4.926 4.640 -0.001 0.000 0.230 190 D C -0.982 175.285 176.300 -0.055 0.000 1.118 190 D CA -2.409 51.560 54.000 -0.051 0.000 0.844 190 D CB 1.920 42.699 40.800 -0.035 0.000 1.059 190 D HN 0.078 nan 8.370 nan 0.000 0.493 191 P HA -0.143 nan 4.420 nan 0.000 0.225 191 P C 0.491 177.755 177.300 -0.059 0.000 1.148 191 P CA 0.852 63.879 63.100 -0.123 0.000 0.779 191 P CB 0.051 31.568 31.700 -0.305 0.000 0.780 192 K N -1.098 119.268 120.400 -0.057 0.000 2.404 192 K HA 0.164 4.483 4.320 -0.001 0.000 0.194 192 K C 0.015 176.606 176.600 -0.015 0.000 1.023 192 K CA 0.242 56.513 56.287 -0.026 0.000 1.094 192 K CB -0.255 32.220 32.500 -0.041 0.000 0.841 192 K HN -0.158 nan 8.250 nan 0.000 0.523 193 T N 1.569 116.118 114.554 -0.009 0.000 3.630 193 T HA 0.228 4.577 4.350 -0.001 0.000 0.238 193 T C -0.886 173.827 174.700 0.022 0.000 1.195 193 T CA -0.507 61.588 62.100 -0.009 0.000 1.433 193 T CB 0.755 69.607 68.868 -0.028 0.000 0.940 193 T HN -0.081 nan 8.240 nan 0.000 0.641 194 V N 1.932 121.886 119.914 0.066 0.000 2.394 194 V HA 0.493 4.613 4.120 -0.001 0.000 0.282 194 V C 0.370 176.560 176.094 0.159 0.000 1.031 194 V CA -0.441 61.928 62.300 0.115 0.000 0.881 194 V CB 1.649 33.563 31.823 0.153 0.000 0.982 194 V HN 0.479 nan 8.190 nan 0.000 0.451 195 T N 6.421 121.057 114.554 0.136 0.000 2.779 195 T HA 0.589 4.939 4.350 -0.001 0.000 0.280 195 T C -0.171 174.648 174.700 0.198 0.000 0.987 195 T CA -0.170 62.023 62.100 0.155 0.000 0.966 195 T CB 0.781 69.692 68.868 0.072 0.000 0.933 195 T HN 0.617 nan 8.240 nan 0.000 0.442 196 I N 1.940 122.598 120.570 0.147 0.000 2.359 196 I HA 0.850 5.019 4.170 -0.001 0.000 0.294 196 I C -0.835 175.443 176.117 0.268 0.000 0.987 196 I CA -0.974 60.397 61.300 0.118 0.000 1.225 196 I CB 0.808 38.656 38.000 -0.252 0.000 1.366 196 I HN 0.458 nan 8.210 nan 0.000 0.466 197 F N 3.380 123.363 119.950 0.055 0.000 2.599 197 F HA 1.026 5.553 4.527 -0.001 0.000 0.311 197 F C -0.361 175.419 175.800 -0.034 0.000 1.076 197 F CA -1.454 56.613 58.000 0.112 0.000 0.937 197 F CB 1.397 40.582 39.000 0.308 0.000 1.282 197 F HN 0.814 nan 8.300 nan 0.000 0.460 198 G N 0.867 109.546 108.800 -0.202 0.000 2.601 198 G HA2 0.484 4.443 3.960 -0.001 0.000 0.291 198 G HA3 0.484 4.443 3.960 -0.001 0.000 0.291 198 G C -2.525 172.181 174.900 -0.325 0.000 1.456 198 G CA -0.797 43.802 45.100 -0.835 0.000 0.804 198 G HN 0.859 nan 8.290 nan 0.000 0.499 199 E N 0.379 120.357 120.200 -0.370 0.000 2.212 199 E HA 0.645 4.995 4.350 -0.001 0.000 0.268 199 E C 0.697 177.263 176.600 -0.055 0.000 0.902 199 E CA 0.299 56.709 56.400 0.016 0.000 0.779 199 E CB 2.071 31.945 29.700 0.290 0.000 1.172 199 E HN 0.834 nan 8.360 nan 0.000 0.409 200 S N 2.696 118.420 115.700 0.041 0.000 4.114 200 S HA -0.390 4.079 4.470 -0.001 0.000 0.618 200 S C 1.460 176.141 174.600 0.135 0.000 1.937 200 S CA 2.069 60.353 58.200 0.140 0.000 4.228 200 S CB -1.605 61.606 63.200 0.019 0.000 0.216 200 S HN 0.974 nan 8.310 nan 0.000 0.528 201 A N 0.911 123.710 122.820 -0.035 0.000 2.024 201 A HA 0.111 4.431 4.320 -0.001 0.000 0.220 201 A C 2.399 179.760 177.584 -0.370 0.000 1.164 201 A CA 2.478 54.309 52.037 -0.344 0.000 0.643 201 A CB -1.490 16.912 19.000 -0.996 0.000 0.806 201 A HN 1.564 nan 8.150 nan 0.000 0.451 202 G N -0.873 107.760 108.800 -0.279 0.000 2.421 202 G HA2 0.118 4.078 3.960 -0.001 0.000 0.217 202 G HA3 0.118 4.078 3.960 -0.001 0.000 0.217 202 G C 1.417 176.153 174.900 -0.273 0.000 1.143 202 G CA 1.102 45.990 45.100 -0.353 0.000 0.784 202 G HN 0.653 nan 8.290 nan 0.000 0.541 203 G N 0.963 109.666 108.800 -0.162 0.000 2.403 203 G HA2 0.142 4.102 3.960 -0.001 0.000 0.216 203 G HA3 0.142 4.102 3.960 -0.001 0.000 0.216 203 G C 2.008 176.825 174.900 -0.139 0.000 1.154 203 G CA 1.329 46.366 45.100 -0.106 0.000 0.784 203 G HN 0.549 nan 8.290 nan 0.000 0.538 204 A N 0.974 123.733 122.820 -0.100 0.000 1.902 204 A HA 0.006 4.325 4.320 -0.001 0.000 0.217 204 A C 2.689 180.211 177.584 -0.103 0.000 1.181 204 A CA 2.246 54.197 52.037 -0.142 0.000 0.623 204 A CB -0.669 18.272 19.000 -0.098 0.000 0.818 204 A HN 0.292 nan 8.150 nan 0.000 0.443 205 S N -0.432 115.229 115.700 -0.065 0.000 2.359 205 S HA -0.155 4.315 4.470 -0.001 0.000 0.224 205 S C 1.915 176.429 174.600 -0.143 0.000 1.035 205 S CA 1.470 59.604 58.200 -0.109 0.000 1.018 205 S CB -0.558 62.543 63.200 -0.165 0.000 0.876 205 S HN 0.347 nan 8.310 nan 0.000 0.448 206 V N 1.611 121.452 119.914 -0.120 0.000 2.287 206 V HA -0.203 3.916 4.120 -0.001 0.000 0.248 206 V C 2.613 178.647 176.094 -0.100 0.000 1.053 206 V CA 2.068 64.303 62.300 -0.108 0.000 1.027 206 V CB -1.472 30.271 31.823 -0.133 0.000 0.646 206 V HN 0.610 nan 8.190 nan 0.000 0.447 207 G N -1.030 107.659 108.800 -0.185 0.000 2.432 207 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.219 207 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.219 207 G C 1.572 176.445 174.900 -0.044 0.000 1.135 207 G CA 0.982 45.934 45.100 -0.247 0.000 0.767 207 G HN 0.470 nan 8.290 nan 0.000 0.550 208 M N -0.243 119.349 119.600 -0.012 0.000 2.254 208 M HA 0.037 4.517 4.480 -0.001 0.000 0.265 208 M C 2.184 178.597 176.300 0.188 0.000 1.066 208 M CA 0.791 56.214 55.300 0.204 0.000 1.123 208 M CB -0.231 32.503 32.600 0.223 0.000 1.388 208 M HN 0.167 nan 8.290 nan 0.000 0.425 209 H N -0.099 119.084 119.070 0.188 0.000 2.470 209 H HA 0.093 4.649 4.556 -0.001 0.000 0.289 209 H C 2.073 177.597 175.328 0.326 0.000 1.033 209 H CA 1.111 57.267 56.048 0.179 0.000 1.331 209 H CB -0.061 29.706 29.762 0.008 0.000 1.414 209 H HN 0.409 nan 8.280 nan 0.000 0.545 210 I N 0.359 121.188 120.570 0.432 0.000 2.439 210 I HA -0.212 3.957 4.170 -0.001 0.000 0.251 210 I C 2.111 178.467 176.117 0.399 0.000 1.139 210 I CA 0.760 62.366 61.300 0.510 0.000 1.438 210 I CB 0.022 38.266 38.000 0.406 0.000 1.085 210 I HN 0.121 nan 8.210 nan 0.000 0.427 211 L N -0.671 120.751 121.223 0.332 0.000 2.102 211 L HA -0.026 4.313 4.340 -0.001 0.000 0.202 211 L C 1.546 178.532 176.870 0.192 0.000 1.076 211 L CA 0.272 55.309 54.840 0.327 0.000 0.761 211 L CB -0.347 41.934 42.059 0.371 0.000 0.921 211 L HN 0.055 nan 8.230 nan 0.000 0.444 212 S N 0.450 116.181 115.700 0.052 0.000 2.509 212 S HA 0.058 4.528 4.470 -0.001 0.000 0.287 212 S C -1.477 173.008 174.600 -0.192 0.000 1.248 212 S CA -1.252 56.782 58.200 -0.278 0.000 1.089 212 S CB 0.755 63.364 63.200 -0.985 0.000 0.900 212 S HN -0.063 nan 8.310 nan 0.000 0.496 213 P HA -0.070 nan 4.420 nan 0.000 0.216 213 P C 1.398 178.612 177.300 -0.143 0.000 1.150 213 P CA 1.204 64.236 63.100 -0.113 0.000 0.843 213 P CB -0.093 31.548 31.700 -0.099 0.000 0.787 214 G N -1.732 106.933 108.800 -0.226 0.000 2.679 214 G HA2 -0.110 3.850 3.960 -0.001 0.000 0.212 214 G HA3 -0.110 3.850 3.960 -0.001 0.000 0.212 214 G C 1.364 176.173 174.900 -0.152 0.000 1.137 214 G CA 0.524 45.506 45.100 -0.197 0.000 0.787 214 G HN 0.232 nan 8.290 nan 0.000 0.534 215 S N -0.523 115.106 115.700 -0.119 0.000 2.564 215 S HA 0.116 4.585 4.470 -0.001 0.000 0.231 215 S C 2.202 176.875 174.600 0.122 0.000 1.067 215 S CA -0.404 57.823 58.200 0.045 0.000 0.908 215 S CB 0.199 63.540 63.200 0.234 0.000 0.809 215 S HN 0.333 nan 8.310 nan 0.000 0.491 216 R N 1.994 122.521 120.500 0.045 0.000 2.159 216 R HA -0.174 4.166 4.340 -0.001 0.000 0.252 216 R C 0.957 177.052 176.300 -0.341 0.000 1.144 216 R CA 1.915 57.940 56.100 -0.126 0.000 0.961 216 R CB -0.633 29.616 30.300 -0.085 0.000 0.877 216 R HN 0.313 nan 8.270 nan 0.000 0.444 217 D N 0.410 120.689 120.400 -0.202 0.000 2.371 217 D HA -0.050 4.590 4.640 -0.001 0.000 0.221 217 D C 1.461 177.641 176.300 -0.200 0.000 0.986 217 D CA 0.771 54.646 54.000 -0.208 0.000 0.899 217 D CB 0.002 40.703 40.800 -0.166 0.000 0.902 217 D HN 0.274 nan 8.370 nan 0.000 0.530 218 L N -0.300 120.849 121.223 -0.122 0.000 2.591 218 L HA 0.145 4.484 4.340 -0.001 0.000 0.228 218 L C -0.015 176.976 176.870 0.202 0.000 1.133 218 L CA -0.063 54.777 54.840 0.000 0.000 0.880 218 L CB -0.338 41.741 42.059 0.034 0.000 1.033 218 L HN -0.046 nan 8.230 nan 0.000 0.450 219 F N -4.395 115.559 119.950 0.006 0.000 2.686 219 F HA 0.585 5.112 4.527 -0.001 0.000 0.311 219 F C 0.410 176.232 175.800 0.037 0.000 1.128 219 F CA -1.362 56.657 58.000 0.032 0.000 0.946 219 F CB 1.147 40.164 39.000 0.029 0.000 1.336 219 F HN -0.415 nan 8.300 nan 0.000 0.457 220 R N 0.766 121.347 120.500 0.134 0.000 2.062 220 R HA 0.469 4.808 4.340 -0.001 0.000 0.218 220 R C 0.006 176.364 176.300 0.096 0.000 1.161 220 R CA 1.083 57.197 56.100 0.023 0.000 0.994 220 R CB 0.213 30.523 30.300 0.017 0.000 0.888 220 R HN 0.803 nan 8.270 nan 0.000 0.442 221 R N -1.453 119.191 120.500 0.239 0.000 2.905 221 R HA 0.762 5.102 4.340 -0.001 0.000 0.260 221 R C -1.504 175.040 176.300 0.407 0.000 1.086 221 R CA -0.696 55.556 56.100 0.254 0.000 0.978 221 R CB 2.237 32.505 30.300 -0.052 0.000 1.215 221 R HN 0.236 nan 8.270 nan 0.000 0.480 222 A N 1.213 124.270 122.820 0.395 0.000 2.515 222 A HA 0.708 5.028 4.320 -0.001 0.000 0.298 222 A C -1.228 176.470 177.584 0.190 0.000 1.059 222 A CA -0.620 51.569 52.037 0.252 0.000 0.698 222 A CB 1.292 20.390 19.000 0.164 0.000 1.289 222 A HN 0.559 nan 8.150 nan 0.000 0.404 223 I N 1.551 122.190 120.570 0.114 0.000 2.466 223 I HA 0.396 4.565 4.170 -0.001 0.000 0.289 223 I C -1.490 174.677 176.117 0.084 0.000 1.026 223 I CA -0.629 60.669 61.300 -0.003 0.000 1.078 223 I CB 1.938 39.912 38.000 -0.042 0.000 1.249 223 I HN 0.428 nan 8.210 nan 0.000 0.429 224 L N 6.559 127.805 121.223 0.038 0.000 2.349 224 L HA 0.448 4.787 4.340 -0.001 0.000 0.278 224 L C -0.525 176.438 176.870 0.156 0.000 0.996 224 L CA -0.259 54.610 54.840 0.049 0.000 0.825 224 L CB 1.598 43.619 42.059 -0.064 0.000 1.243 224 L HN 0.487 nan 8.230 nan 0.000 0.412 225 Q N 1.895 121.834 119.800 0.232 0.000 2.348 225 Q HA 0.487 4.826 4.340 -0.001 0.000 0.265 225 Q C -0.048 176.087 176.000 0.225 0.000 0.998 225 Q CA -0.624 55.386 55.803 0.344 0.000 0.831 225 Q CB 1.592 30.635 28.738 0.507 0.000 1.251 225 Q HN 0.630 nan 8.270 nan 0.000 0.456 226 S N 1.036 116.858 115.700 0.205 0.000 3.631 226 S HA -0.156 4.313 4.470 -0.001 0.000 0.366 226 S C 0.018 174.773 174.600 0.259 0.000 0.993 226 S CA 0.600 58.938 58.200 0.231 0.000 1.167 226 S CB -1.154 62.205 63.200 0.264 0.000 0.909 226 S HN 1.003 nan 8.310 nan 0.000 0.478 227 G N -0.399 108.490 108.800 0.148 0.000 2.473 227 G HA2 0.596 4.556 3.960 -0.001 0.000 0.298 227 G HA3 0.596 4.556 3.960 -0.001 0.000 0.298 227 G C -1.011 173.839 174.900 -0.083 0.000 1.575 227 G CA 0.114 45.294 45.100 0.133 0.000 0.846 227 G HN 1.181 nan 8.290 nan 0.000 0.585 228 S N 0.945 116.519 115.700 -0.211 0.000 2.556 228 S HA 0.789 5.259 4.470 -0.001 0.000 0.271 228 S C -2.037 172.281 174.600 -0.471 0.000 1.135 228 S CA -0.961 56.970 58.200 -0.448 0.000 0.858 228 S CB 3.011 65.944 63.200 -0.445 0.000 1.114 228 S HN 0.472 nan 8.310 nan 0.000 0.468 229 P HA -0.159 nan 4.420 nan 0.000 0.218 229 P C 0.654 177.717 177.300 -0.394 0.000 1.148 229 P CA 1.440 64.307 63.100 -0.389 0.000 0.822 229 P CB -0.302 31.215 31.700 -0.304 0.000 0.784 230 N N -0.767 117.729 118.700 -0.339 0.000 2.383 230 N HA -0.022 4.717 4.740 -0.001 0.000 0.192 230 N C 0.052 175.332 175.510 -0.383 0.000 1.141 230 N CA -0.168 52.716 53.050 -0.275 0.000 0.851 230 N CB -1.327 37.118 38.487 -0.071 0.000 0.976 230 N HN 0.041 nan 8.380 nan 0.000 0.465 231 C N 2.995 121.953 119.300 -0.571 0.000 2.634 231 C HA 0.081 4.540 4.460 -0.001 0.000 0.417 231 C C -0.147 174.360 174.990 -0.806 0.000 1.334 231 C CA -0.921 57.621 59.018 -0.793 0.000 1.829 231 C CB 1.046 27.998 27.740 -1.313 0.000 2.665 231 C HN 0.369 nan 8.230 nan 0.000 0.614 232 P HA -0.122 nan 4.420 nan 0.000 0.221 232 P C 1.180 178.280 177.300 -0.332 0.000 1.145 232 P CA 1.850 64.673 63.100 -0.461 0.000 0.795 232 P CB -0.076 31.347 31.700 -0.462 0.000 0.775 233 W N -1.355 119.812 121.300 -0.222 0.000 3.114 233 W HA 0.544 5.204 4.660 -0.000 0.000 0.279 233 W C 1.244 177.806 176.519 0.070 0.000 1.277 233 W CA 0.350 57.646 57.345 -0.082 0.000 1.630 233 W CB -1.068 28.378 29.460 -0.024 0.000 1.087 233 W HN -0.123 nan 8.180 nan 0.000 0.637 234 A N 1.475 123.927 122.820 -0.614 0.000 2.167 234 A HA 0.160 4.480 4.320 -0.001 0.000 0.214 234 A C 1.016 178.396 177.584 -0.339 0.000 1.151 234 A CA 1.220 53.004 52.037 -0.423 0.000 0.735 234 A CB -0.570 17.943 19.000 -0.813 0.000 0.802 234 A HN 0.249 nan 8.150 nan 0.000 0.467 235 S N -2.030 113.478 115.700 -0.320 0.000 2.587 235 S HA 0.629 5.099 4.470 -0.001 0.000 0.269 235 S C -0.816 173.646 174.600 -0.230 0.000 1.154 235 S CA -0.095 57.913 58.200 -0.320 0.000 0.824 235 S CB 1.239 64.188 63.200 -0.418 0.000 1.118 235 S HN 1.379 nan 8.310 nan 0.000 0.462 236 V N -1.095 118.703 119.914 -0.194 0.000 3.181 236 V HA 0.949 5.068 4.120 -0.001 0.000 0.308 236 V C 0.117 176.133 176.094 -0.130 0.000 1.214 236 V CA -0.426 61.786 62.300 -0.146 0.000 1.053 236 V CB 1.144 32.897 31.823 -0.117 0.000 1.069 236 V HN 1.559 nan 8.190 nan 0.000 0.441 237 S N 0.578 116.214 115.700 -0.108 0.000 2.624 237 S HA 0.378 4.848 4.470 -0.001 0.000 0.263 237 S C 1.285 175.835 174.600 -0.083 0.000 1.287 237 S CA 0.019 58.161 58.200 -0.096 0.000 0.990 237 S CB 1.245 64.398 63.200 -0.078 0.000 0.950 237 S HN 2.142 nan 8.310 nan 0.000 0.561 238 V N -1.472 118.384 119.914 -0.097 0.000 2.626 238 V HA 0.038 4.158 4.120 -0.001 0.000 0.252 238 V C 2.438 178.515 176.094 -0.027 0.000 1.067 238 V CA 1.567 63.819 62.300 -0.081 0.000 1.081 238 V CB -1.961 29.750 31.823 -0.188 0.000 0.686 238 V HN 0.985 nan 8.190 nan 0.000 0.468 239 A N 0.707 123.506 122.820 -0.034 0.000 1.873 239 A HA -0.156 4.164 4.320 -0.001 0.000 0.215 239 A C 2.213 179.777 177.584 -0.033 0.000 1.186 239 A CA 1.829 53.853 52.037 -0.021 0.000 0.616 239 A CB -0.605 18.381 19.000 -0.023 0.000 0.823 239 A HN 0.614 nan 8.150 nan 0.000 0.442 240 E N 0.223 120.392 120.200 -0.051 0.000 2.106 240 E HA -0.025 4.324 4.350 -0.001 0.000 0.192 240 E C 1.954 178.516 176.600 -0.063 0.000 0.984 240 E CA 1.532 57.889 56.400 -0.071 0.000 0.806 240 E CB -0.830 28.816 29.700 -0.089 0.000 0.750 240 E HN 0.378 nan 8.360 nan 0.000 0.458 241 G N 0.711 109.487 108.800 -0.041 0.000 2.418 241 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.217 241 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.217 241 G C 1.770 176.681 174.900 0.019 0.000 1.158 241 G CA 0.886 45.984 45.100 -0.003 0.000 0.771 241 G HN 0.334 nan 8.290 nan 0.000 0.545 242 R N 0.284 120.790 120.500 0.010 0.000 2.075 242 R HA 0.018 4.358 4.340 -0.001 0.000 0.232 242 R C 2.558 178.856 176.300 -0.003 0.000 1.126 242 R CA 1.344 57.450 56.100 0.010 0.000 0.963 242 R CB -0.369 29.941 30.300 0.017 0.000 0.858 242 R HN 0.319 nan 8.270 nan 0.000 0.435 243 R N 0.465 120.953 120.500 -0.020 0.000 2.091 243 R HA -0.139 4.200 4.340 -0.001 0.000 0.238 243 R C 2.223 178.504 176.300 -0.033 0.000 1.136 243 R CA 1.862 57.943 56.100 -0.033 0.000 0.959 243 R CB -0.101 30.165 30.300 -0.056 0.000 0.856 243 R HN 0.278 nan 8.270 nan 0.000 0.437 244 R N -0.280 120.195 120.500 -0.041 0.000 2.092 244 R HA -0.050 4.290 4.340 -0.001 0.000 0.231 244 R C 2.342 178.692 176.300 0.084 0.000 1.119 244 R CA 1.207 57.281 56.100 -0.044 0.000 0.970 244 R CB -0.290 29.910 30.300 -0.166 0.000 0.864 244 R HN 0.254 nan 8.270 nan 0.000 0.440 245 A N 0.818 123.706 122.820 0.113 0.000 1.902 245 A HA -0.100 4.220 4.320 -0.001 0.000 0.217 245 A C 2.350 179.942 177.584 0.013 0.000 1.181 245 A CA 1.288 53.375 52.037 0.083 0.000 0.623 245 A CB -0.456 18.536 19.000 -0.014 0.000 0.818 245 A HN 0.104 nan 8.150 nan 0.000 0.443 246 V N 0.006 119.922 119.914 0.003 0.000 2.358 246 V HA -0.207 3.913 4.120 -0.001 0.000 0.246 246 V C 2.569 178.666 176.094 0.005 0.000 1.047 246 V CA 2.299 64.595 62.300 -0.005 0.000 1.035 246 V CB -0.673 31.145 31.823 -0.008 0.000 0.658 246 V HN 0.680 nan 8.190 nan 0.000 0.452 247 E N 0.326 120.531 120.200 0.009 0.000 2.153 247 E HA -0.209 4.141 4.350 -0.001 0.000 0.194 247 E C 1.890 178.510 176.600 0.033 0.000 0.988 247 E CA 1.090 57.496 56.400 0.009 0.000 0.811 247 E CB -0.370 29.323 29.700 -0.012 0.000 0.746 247 E HN 0.451 nan 8.360 nan 0.000 0.466 248 L N -0.332 120.930 121.223 0.064 0.000 2.027 248 L HA 0.059 4.398 4.340 -0.001 0.000 0.206 248 L C 2.189 179.080 176.870 0.035 0.000 1.074 248 L CA 2.320 57.211 54.840 0.084 0.000 0.745 248 L CB -1.029 41.109 42.059 0.131 0.000 0.898 248 L HN 0.230 nan 8.230 nan 0.000 0.433 249 G N -0.948 107.858 108.800 0.011 0.000 2.422 249 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.218 249 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.218 249 G C 1.809 176.720 174.900 0.018 0.000 1.146 249 G CA 0.771 45.874 45.100 0.005 0.000 0.769 249 G HN 0.414 nan 8.290 nan 0.000 0.547 250 R N 0.393 120.904 120.500 0.018 0.000 2.120 250 R HA -0.009 4.331 4.340 -0.001 0.000 0.234 250 R C 2.088 178.404 176.300 0.027 0.000 1.123 250 R CA 1.171 57.283 56.100 0.019 0.000 0.975 250 R CB -0.276 30.032 30.300 0.014 0.000 0.866 250 R HN 0.294 nan 8.270 nan 0.000 0.446 251 N N 0.199 118.919 118.700 0.033 0.000 2.459 251 N HA -0.074 4.665 4.740 -0.001 0.000 0.181 251 N C 0.741 176.277 175.510 0.044 0.000 1.046 251 N CA 0.766 53.842 53.050 0.042 0.000 0.904 251 N CB 0.265 38.785 38.487 0.055 0.000 0.964 251 N HN 0.284 nan 8.380 nan 0.000 0.444 252 L N 0.704 121.950 121.223 0.039 0.000 2.910 252 L HA 0.216 4.555 4.340 -0.001 0.000 0.252 252 L C -0.307 176.584 176.870 0.035 0.000 1.195 252 L CA -0.156 54.708 54.840 0.039 0.000 1.003 252 L CB 0.028 42.110 42.059 0.037 0.000 1.328 252 L HN -0.005 nan 8.230 nan 0.000 0.540 253 N N -0.844 117.875 118.700 0.032 0.000 2.740 253 N HA -0.175 4.565 4.740 -0.001 0.000 0.248 253 N C -0.104 175.425 175.510 0.032 0.000 1.062 253 N CA 0.510 53.578 53.050 0.030 0.000 0.704 253 N CB -2.099 36.406 38.487 0.031 0.000 0.968 253 N HN 0.283 nan 8.380 nan 0.000 0.547 254 c N 0.914 119.532 118.600 0.031 0.000 2.443 254 c HA 0.263 4.833 4.570 -0.001 0.000 0.369 254 c C 1.390 175.499 174.090 0.032 0.000 1.241 254 c CA -0.913 55.437 56.329 0.035 0.000 2.413 254 c CB 1.017 43.545 42.510 0.030 0.000 2.451 254 c HN 0.396 nan 8.230 nan 0.000 0.595 255 N N 1.686 120.410 118.700 0.039 0.000 2.442 255 N HA 0.145 4.885 4.740 -0.001 0.000 0.265 255 N C -0.066 175.457 175.510 0.023 0.000 1.138 255 N CA 0.149 53.217 53.050 0.030 0.000 0.956 255 N CB 0.470 38.976 38.487 0.032 0.000 1.067 255 N HN 0.614 nan 8.380 nan 0.000 0.474 256 L N 3.113 124.344 121.223 0.014 0.000 2.818 256 L HA 0.210 4.550 4.340 -0.001 0.000 0.243 256 L C 1.413 178.286 176.870 0.005 0.000 1.185 256 L CA -0.135 54.710 54.840 0.008 0.000 0.988 256 L CB -0.302 41.761 42.059 0.006 0.000 1.292 256 L HN 0.523 nan 8.230 nan 0.000 0.519 257 N N 0.379 119.083 118.700 0.006 0.000 2.223 257 N HA -0.097 4.643 4.740 -0.001 0.000 0.185 257 N C 0.562 176.072 175.510 0.000 0.000 1.016 257 N CA 1.093 54.145 53.050 0.002 0.000 0.863 257 N CB 0.232 38.720 38.487 0.001 0.000 0.983 257 N HN 0.392 nan 8.380 nan 0.000 0.429 258 S N -1.390 114.311 115.700 0.001 0.000 2.588 258 S HA 0.240 4.710 4.470 -0.001 0.000 0.269 258 S C -0.373 174.227 174.600 -0.000 0.000 1.157 258 S CA -0.939 57.261 58.200 -0.001 0.000 0.824 258 S CB 1.723 64.921 63.200 -0.002 0.000 1.126 258 S HN -0.180 nan 8.310 nan 0.000 0.464 259 D N 1.159 121.556 120.400 -0.005 0.000 2.149 259 D HA -0.078 4.561 4.640 -0.001 0.000 0.198 259 D C 1.512 177.815 176.300 0.005 0.000 0.990 259 D CA 1.867 55.861 54.000 -0.011 0.000 0.839 259 D CB -0.232 40.558 40.800 -0.017 0.000 0.948 259 D HN 0.700 nan 8.370 nan 0.000 0.460 260 E N 0.877 121.085 120.200 0.013 0.000 2.058 260 E HA -0.151 4.199 4.350 -0.001 0.000 0.194 260 E C 2.038 178.673 176.600 0.058 0.000 0.997 260 E CA 0.867 57.286 56.400 0.032 0.000 0.801 260 E CB -0.182 29.526 29.700 0.014 0.000 0.746 260 E HN 0.283 nan 8.360 nan 0.000 0.450 261 E N 0.210 120.431 120.200 0.035 0.000 2.051 261 E HA -0.152 4.198 4.350 -0.001 0.000 0.192 261 E C 2.135 178.785 176.600 0.085 0.000 0.991 261 E CA 0.623 57.053 56.400 0.051 0.000 0.799 261 E CB -0.399 29.314 29.700 0.022 0.000 0.748 261 E HN 0.162 nan 8.360 nan 0.000 0.449 262 L N 1.370 122.618 121.223 0.042 0.000 1.989 262 L HA -0.153 4.186 4.340 -0.001 0.000 0.211 262 L C 2.285 179.167 176.870 0.021 0.000 1.071 262 L CA 1.555 56.407 54.840 0.019 0.000 0.749 262 L CB -0.747 41.301 42.059 -0.019 0.000 0.890 262 L HN 0.070 nan 8.230 nan 0.000 0.431 263 I N -0.838 119.743 120.570 0.018 0.000 2.208 263 I HA -0.345 3.824 4.170 -0.001 0.000 0.245 263 I C 2.628 178.820 176.117 0.125 0.000 1.097 263 I CA 1.638 62.960 61.300 0.036 0.000 1.363 263 I CB -0.748 37.278 38.000 0.043 0.000 1.051 263 I HN 0.509 nan 8.210 nan 0.000 0.413 264 H N 0.530 119.632 119.070 0.054 0.000 2.387 264 H HA -0.250 4.305 4.556 -0.001 0.000 0.299 264 H C 2.417 177.782 175.328 0.061 0.000 1.090 264 H CA 2.171 58.254 56.048 0.058 0.000 1.332 264 H CB -0.167 29.616 29.762 0.036 0.000 1.386 264 H HN 0.497 nan 8.280 nan 0.000 0.516 265 c N 0.775 119.422 118.600 0.078 0.000 2.453 265 c HA -0.039 4.531 4.570 -0.001 0.000 0.277 265 c C 3.047 177.136 174.090 -0.001 0.000 1.262 265 c CA 0.591 56.940 56.329 0.034 0.000 1.718 265 c CB -1.366 41.196 42.510 0.086 0.000 2.031 265 c HN 0.575 nan 8.230 nan 0.000 0.480 266 L N 0.280 121.533 121.223 0.050 0.000 2.191 266 L HA -0.092 4.247 4.340 -0.001 0.000 0.212 266 L C 2.909 179.865 176.870 0.143 0.000 1.103 266 L CA 1.355 56.264 54.840 0.115 0.000 0.769 266 L CB -0.635 41.507 42.059 0.139 0.000 0.908 266 L HN 0.367 nan 8.230 nan 0.000 0.438 267 R N -0.512 120.036 120.500 0.080 0.000 2.193 267 R HA -0.068 4.271 4.340 -0.001 0.000 0.213 267 R C 1.787 178.032 176.300 -0.092 0.000 1.055 267 R CA 0.508 56.590 56.100 -0.030 0.000 0.995 267 R CB 0.104 30.375 30.300 -0.049 0.000 0.893 267 R HN 0.261 nan 8.270 nan 0.000 0.459 268 E N 0.549 120.674 120.200 -0.125 0.000 2.442 268 E HA 0.011 4.361 4.350 -0.001 0.000 0.195 268 E C 0.018 176.600 176.600 -0.030 0.000 1.030 268 E CA 0.522 56.862 56.400 -0.099 0.000 0.869 268 E CB 0.274 29.896 29.700 -0.130 0.000 0.857 268 E HN 0.058 nan 8.360 nan 0.000 0.505 269 K N 1.570 121.968 120.400 -0.004 0.000 2.295 269 K HA 0.175 4.495 4.320 -0.001 0.000 0.270 269 K C 0.454 177.083 176.600 0.048 0.000 1.011 269 K CA -0.074 56.230 56.287 0.028 0.000 0.953 269 K CB 0.903 33.429 32.500 0.042 0.000 0.956 269 K HN -0.092 nan 8.250 nan 0.000 0.477 270 K N 2.327 122.762 120.400 0.059 0.000 2.202 270 K HA 0.068 4.387 4.320 -0.001 0.000 0.264 270 K C -1.593 175.091 176.600 0.141 0.000 1.010 270 K CA -1.615 54.715 56.287 0.072 0.000 0.940 270 K CB 0.252 32.784 32.500 0.054 0.000 0.983 270 K HN 0.166 nan 8.250 nan 0.000 0.475 271 P HA -0.252 nan 4.420 nan 0.000 0.215 271 P C 1.116 178.610 177.300 0.323 0.000 1.163 271 P CA 1.336 64.643 63.100 0.345 0.000 0.894 271 P CB 0.240 31.957 31.700 0.027 0.000 0.791 272 Q N -0.045 119.860 119.800 0.176 0.000 2.291 272 Q HA -0.189 4.151 4.340 -0.001 0.000 0.206 272 Q C 1.826 177.921 176.000 0.158 0.000 0.976 272 Q CA 1.595 57.494 55.803 0.161 0.000 0.875 272 Q CB -0.782 28.018 28.738 0.102 0.000 0.927 272 Q HN 0.366 nan 8.270 nan 0.000 0.450 273 E N -1.069 119.214 120.200 0.138 0.000 2.107 273 E HA -0.138 4.211 4.350 -0.001 0.000 0.191 273 E C 1.505 178.173 176.600 0.114 0.000 0.982 273 E CA 0.745 57.212 56.400 0.111 0.000 0.809 273 E CB 0.050 29.800 29.700 0.084 0.000 0.756 273 E HN 0.235 nan 8.360 nan 0.000 0.459 274 L N 0.644 121.937 121.223 0.117 0.000 2.072 274 L HA -0.116 4.224 4.340 -0.001 0.000 0.205 274 L C 2.155 179.097 176.870 0.119 0.000 1.079 274 L CA 1.388 56.261 54.840 0.054 0.000 0.752 274 L CB -0.366 41.628 42.059 -0.108 0.000 0.906 274 L HN 0.147 nan 8.230 nan 0.000 0.436 275 I N -0.587 120.112 120.570 0.214 0.000 2.361 275 I HA -0.265 3.904 4.170 -0.001 0.000 0.251 275 I C 1.764 178.057 176.117 0.293 0.000 1.133 275 I CA 0.938 62.408 61.300 0.285 0.000 1.413 275 I CB -0.388 37.821 38.000 0.348 0.000 1.073 275 I HN 0.240 nan 8.210 nan 0.000 0.424 276 D N 0.392 120.934 120.400 0.236 0.000 2.263 276 D HA -0.103 4.537 4.640 -0.001 0.000 0.208 276 D C 1.821 178.253 176.300 0.220 0.000 0.971 276 D CA 1.333 55.469 54.000 0.227 0.000 0.867 276 D CB 0.147 41.044 40.800 0.162 0.000 0.929 276 D HN 0.391 nan 8.370 nan 0.000 0.492 277 V N -2.818 117.208 119.914 0.186 0.000 3.346 277 V HA 0.217 4.337 4.120 -0.001 0.000 0.309 277 V C 1.702 177.887 176.094 0.152 0.000 1.457 277 V CA -0.188 62.209 62.300 0.161 0.000 1.069 277 V CB 0.412 32.304 31.823 0.115 0.000 0.944 277 V HN -0.101 nan 8.190 nan 0.000 0.449 278 E N 0.916 121.202 120.200 0.144 0.000 2.114 278 E HA -0.260 4.090 4.350 -0.001 0.000 0.199 278 E C 1.465 177.971 176.600 -0.156 0.000 1.008 278 E CA 2.652 59.076 56.400 0.040 0.000 0.810 278 E CB -0.162 29.492 29.700 -0.076 0.000 0.739 278 E HN 0.832 nan 8.360 nan 0.000 0.456 279 W N 0.708 122.011 121.300 0.005 0.000 2.937 279 W HA 0.059 4.719 4.660 -0.001 0.000 0.245 279 W C 1.555 178.041 176.519 -0.055 0.000 1.306 279 W CA -0.147 57.154 57.345 -0.072 0.000 1.470 279 W CB 0.047 29.434 29.460 -0.122 0.000 1.132 279 W HN 0.075 nan 8.180 nan 0.000 0.675 280 N N 0.194 118.979 118.700 0.141 0.000 2.494 280 N HA -0.091 4.648 4.740 -0.001 0.000 0.182 280 N C 1.791 177.311 175.510 0.017 0.000 1.076 280 N CA 1.369 54.469 53.050 0.084 0.000 0.908 280 N CB -0.477 38.060 38.487 0.083 0.000 0.967 280 N HN 0.260 nan 8.380 nan 0.000 0.449 281 V N -1.845 118.048 119.914 -0.036 0.000 3.541 281 V HA 0.210 4.329 4.120 -0.001 0.000 0.267 281 V C 0.839 176.841 176.094 -0.152 0.000 1.213 281 V CA -0.013 62.228 62.300 -0.097 0.000 1.149 281 V CB -0.718 31.023 31.823 -0.136 0.000 0.822 281 V HN 0.002 nan 8.190 nan 0.000 0.462 282 L N 2.479 123.627 121.223 -0.125 0.000 2.490 282 L HA 0.174 4.514 4.340 -0.001 0.000 0.274 282 L C -0.221 176.544 176.870 -0.174 0.000 1.201 282 L CA -0.768 53.990 54.840 -0.137 0.000 0.869 282 L CB 0.639 42.676 42.059 -0.037 0.000 1.123 282 L HN 0.183 nan 8.230 nan 0.000 0.484 283 P HA -0.050 nan 4.420 nan 0.000 0.222 283 P C -0.147 176.803 177.300 -0.584 0.000 1.153 283 P CA 1.140 63.911 63.100 -0.548 0.000 0.798 283 P CB 0.301 31.486 31.700 -0.858 0.000 0.796 284 F N -0.446 119.503 119.950 -0.002 0.000 2.631 284 F HA 0.406 4.932 4.527 -0.001 0.000 0.328 284 F C 0.385 176.191 175.800 0.010 0.000 1.067 284 F CA -1.770 56.235 58.000 0.009 0.000 0.969 284 F CB 0.075 39.086 39.000 0.020 0.000 1.332 284 F HN -0.359 nan 8.300 nan 0.000 0.490 285 D N 1.093 121.638 120.400 0.242 0.000 2.336 285 D HA 0.426 5.065 4.640 -0.001 0.000 0.249 285 D C -0.637 175.734 176.300 0.119 0.000 1.213 285 D CA 0.346 54.423 54.000 0.127 0.000 0.870 285 D CB 0.337 41.190 40.800 0.089 0.000 1.076 285 D HN 0.619 nan 8.370 nan 0.000 0.483 286 S N 2.718 118.476 115.700 0.098 0.000 2.688 286 S HA 0.758 5.228 4.470 -0.001 0.000 0.275 286 S C -0.396 174.229 174.600 0.042 0.000 1.175 286 S CA -0.989 57.258 58.200 0.078 0.000 0.818 286 S CB 0.765 64.038 63.200 0.122 0.000 1.157 286 S HN 0.469 nan 8.310 nan 0.000 0.482 287 I N -3.483 117.109 120.570 0.036 0.000 2.828 287 I HA 0.790 4.960 4.170 -0.001 0.000 0.302 287 I C -0.550 175.573 176.117 0.010 0.000 1.101 287 I CA -1.124 60.193 61.300 0.029 0.000 1.031 287 I CB 1.524 39.566 38.000 0.070 0.000 1.231 287 I HN 0.761 nan 8.210 nan 0.000 0.427 288 F N 1.999 121.776 119.950 -0.289 0.000 3.080 288 F HA -0.168 4.358 4.527 -0.001 0.000 0.292 288 F C -0.432 174.875 175.800 -0.822 0.000 0.891 288 F CA 0.578 58.154 58.000 -0.707 0.000 1.086 288 F CB -0.621 37.934 39.000 -0.742 0.000 1.095 288 F HN 0.626 nan 8.300 nan 0.000 0.633 289 R N 0.528 120.609 120.500 -0.699 0.000 2.574 289 R HA 0.604 4.944 4.340 -0.001 0.000 0.288 289 R C -1.007 174.875 176.300 -0.696 0.000 1.004 289 R CA -0.540 55.239 56.100 -0.535 0.000 0.895 289 R CB 1.233 31.457 30.300 -0.125 0.000 1.191 289 R HN -0.012 nan 8.270 nan 0.000 0.444 290 F N -0.561 119.468 119.950 0.132 0.000 2.546 290 F HA 0.378 4.905 4.527 -0.001 0.000 0.320 290 F C 1.623 177.304 175.800 -0.199 0.000 1.076 290 F CA -0.814 57.163 58.000 -0.037 0.000 0.928 290 F CB 1.720 40.802 39.000 0.136 0.000 1.189 290 F HN 0.352 nan 8.300 nan 0.000 0.465 291 S N 0.703 116.218 115.700 -0.308 0.000 2.351 291 S HA -0.086 4.384 4.470 -0.001 0.000 0.220 291 S C 0.121 174.240 174.600 -0.801 0.000 1.035 291 S CA 1.307 59.112 58.200 -0.658 0.000 1.031 291 S CB -0.277 62.344 63.200 -0.965 0.000 0.928 291 S HN 0.345 nan 8.310 nan 0.000 0.433 292 F N 1.756 121.709 119.950 0.005 0.000 2.347 292 F HA 0.552 5.078 4.527 -0.001 0.000 0.366 292 F C 0.089 175.898 175.800 0.016 0.000 1.107 292 F CA -1.014 57.026 58.000 0.066 0.000 1.058 292 F CB 0.968 40.049 39.000 0.135 0.000 1.236 292 F HN -0.064 nan 8.300 nan 0.000 0.456 293 V N 0.841 120.727 119.914 -0.047 0.000 3.158 293 V HA 0.764 4.884 4.120 -0.001 0.000 0.311 293 V C -2.898 172.901 176.094 -0.491 0.000 1.181 293 V CA -3.364 58.609 62.300 -0.545 0.000 1.054 293 V CB 2.006 33.656 31.823 -0.288 0.000 1.085 293 V HN 0.251 nan 8.190 nan 0.000 0.446 294 P HA 0.246 nan 4.420 nan 0.000 0.266 294 P C -0.592 176.616 177.300 -0.153 0.000 1.193 294 P CA 0.292 63.205 63.100 -0.312 0.000 0.770 294 P CB 0.464 31.912 31.700 -0.420 0.000 0.836 295 V N 1.120 121.036 119.914 0.004 0.000 2.628 295 V HA 0.432 4.551 4.120 -0.001 0.000 0.306 295 V C 0.018 176.147 176.094 0.057 0.000 1.045 295 V CA -0.875 61.416 62.300 -0.015 0.000 0.905 295 V CB 1.712 33.541 31.823 0.009 0.000 0.997 295 V HN 0.217 nan 8.190 nan 0.000 0.436 296 I N 4.954 125.492 120.570 -0.053 0.000 2.357 296 I HA 0.177 4.347 4.170 -0.001 0.000 0.300 296 I C 0.928 177.044 176.117 -0.000 0.000 1.159 296 I CA 0.198 61.493 61.300 -0.009 0.000 1.339 296 I CB -0.161 37.764 38.000 -0.126 0.000 1.458 296 I HN 0.968 nan 8.210 nan 0.000 0.577 297 D N 3.480 123.940 120.400 0.101 0.000 2.346 297 D HA 0.035 4.675 4.640 -0.001 0.000 0.206 297 D C 1.387 177.689 176.300 0.003 0.000 1.001 297 D CA 0.790 54.759 54.000 -0.051 0.000 0.871 297 D CB 0.378 41.237 40.800 0.098 0.000 0.943 297 D HN 0.645 nan 8.370 nan 0.000 0.518 298 G N 0.316 109.178 108.800 0.103 0.000 2.141 298 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.242 298 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.242 298 G C 0.606 175.574 174.900 0.113 0.000 0.982 298 G CA 0.586 45.746 45.100 0.099 0.000 0.662 298 G HN 0.472 nan 8.290 nan 0.000 0.527 299 E N -1.765 118.516 120.200 0.134 0.000 3.312 299 E HA 0.356 4.705 4.350 -0.001 0.000 0.178 299 E C 1.661 178.284 176.600 0.040 0.000 1.204 299 E CA -0.256 56.200 56.400 0.094 0.000 1.335 299 E CB -0.040 29.735 29.700 0.125 0.000 1.680 299 E HN 0.178 nan 8.360 nan 0.000 0.503 300 F N 1.081 120.962 119.950 -0.115 0.000 2.126 300 F HA -0.024 4.502 4.527 -0.001 0.000 0.299 300 F C 0.186 175.699 175.800 -0.479 0.000 1.096 300 F CA 1.203 58.998 58.000 -0.342 0.000 1.255 300 F CB 0.293 38.991 39.000 -0.503 0.000 0.997 300 F HN -0.116 nan 8.300 nan 0.000 0.479 301 F N 1.606 121.699 119.950 0.239 0.000 2.403 301 F HA 0.346 4.872 4.527 -0.001 0.000 0.355 301 F C -1.420 174.419 175.800 0.065 0.000 1.119 301 F CA -2.957 55.123 58.000 0.135 0.000 1.007 301 F CB 0.634 39.710 39.000 0.128 0.000 1.194 301 F HN -0.236 nan 8.300 nan 0.000 0.443 302 P HA -0.095 nan 4.420 nan 0.000 0.216 302 P C 0.403 177.762 177.300 0.097 0.000 1.150 302 P CA 1.525 64.685 63.100 0.099 0.000 0.837 302 P CB 0.334 32.066 31.700 0.054 0.000 0.786 303 T N -4.652 109.968 114.554 0.111 0.000 2.696 303 T HA 0.424 4.773 4.350 -0.001 0.000 0.291 303 T C -0.238 174.499 174.700 0.062 0.000 1.095 303 T CA -0.534 61.607 62.100 0.070 0.000 1.026 303 T CB 1.006 69.902 68.868 0.046 0.000 1.390 303 T HN 0.092 nan 8.240 nan 0.000 0.513 304 S N 0.109 115.821 115.700 0.020 0.000 2.559 304 S HA 0.118 4.588 4.470 -0.001 0.000 0.282 304 S C 1.496 176.093 174.600 -0.005 0.000 1.336 304 S CA -0.628 57.561 58.200 -0.019 0.000 1.037 304 S CB -0.403 62.785 63.200 -0.020 0.000 0.853 304 S HN 0.665 nan 8.310 nan 0.000 0.523 305 L N 0.449 121.633 121.223 -0.066 0.000 2.083 305 L HA -0.093 4.247 4.340 -0.001 0.000 0.209 305 L C 2.914 179.816 176.870 0.052 0.000 1.083 305 L CA 1.800 56.621 54.840 -0.032 0.000 0.752 305 L CB -0.778 41.198 42.059 -0.139 0.000 0.899 305 L HN 0.783 nan 8.230 nan 0.000 0.433 306 E N 0.855 121.082 120.200 0.045 0.000 2.051 306 E HA -0.201 4.148 4.350 -0.001 0.000 0.192 306 E C 2.298 178.960 176.600 0.104 0.000 0.991 306 E CA 1.856 58.317 56.400 0.102 0.000 0.799 306 E CB -0.149 29.597 29.700 0.077 0.000 0.748 306 E HN 0.457 nan 8.360 nan 0.000 0.449 307 S N -0.540 115.202 115.700 0.071 0.000 2.402 307 S HA -0.142 4.327 4.470 -0.001 0.000 0.229 307 S C 2.135 176.779 174.600 0.074 0.000 1.021 307 S CA 1.243 59.482 58.200 0.064 0.000 0.974 307 S CB -0.340 62.884 63.200 0.040 0.000 0.800 307 S HN 0.249 nan 8.310 nan 0.000 0.484 308 M N 0.828 120.488 119.600 0.100 0.000 2.132 308 M HA 0.090 4.570 4.480 -0.001 0.000 0.263 308 M C 2.167 178.605 176.300 0.230 0.000 1.065 308 M CA 1.302 56.685 55.300 0.138 0.000 1.122 308 M CB -0.551 32.160 32.600 0.185 0.000 1.365 308 M HN 0.312 nan 8.290 nan 0.000 0.411 309 L N -0.111 121.260 121.223 0.247 0.000 2.093 309 L HA -0.211 4.129 4.340 -0.001 0.000 0.208 309 L C 2.155 179.202 176.870 0.296 0.000 1.085 309 L CA 0.813 55.843 54.840 0.315 0.000 0.755 309 L CB -0.732 41.418 42.059 0.152 0.000 0.904 309 L HN 0.373 nan 8.230 nan 0.000 0.435 310 N N -0.330 118.479 118.700 0.182 0.000 2.216 310 N HA -0.115 4.625 4.740 -0.001 0.000 0.183 310 N C 1.958 177.549 175.510 0.135 0.000 1.017 310 N CA 1.649 54.803 53.050 0.172 0.000 0.861 310 N CB -0.018 38.544 38.487 0.125 0.000 0.986 310 N HN 0.326 nan 8.380 nan 0.000 0.428 311 S N -0.869 114.830 115.700 -0.002 0.000 2.558 311 S HA 0.215 4.685 4.470 -0.001 0.000 0.217 311 S C 1.324 175.579 174.600 -0.575 0.000 0.975 311 S CA 0.484 58.599 58.200 -0.141 0.000 0.912 311 S CB 0.194 63.330 63.200 -0.108 0.000 0.776 311 S HN 0.371 nan 8.310 nan 0.000 0.526 312 G N 1.900 110.174 108.800 -0.876 0.000 2.160 312 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.244 312 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.244 312 G C -0.064 173.949 174.900 -1.478 0.000 1.022 312 G CA 0.035 43.913 45.100 -2.036 0.000 0.741 312 G HN 0.576 nan 8.290 nan 0.000 0.508 313 N N 0.643 118.933 118.700 -0.684 0.000 2.895 313 N HA 0.516 5.256 4.740 -0.001 0.000 0.277 313 N C -0.155 175.304 175.510 -0.085 0.000 1.185 313 N CA -0.016 52.833 53.050 -0.335 0.000 1.106 313 N CB -0.867 37.557 38.487 -0.104 0.000 1.422 313 N HN 0.751 nan 8.380 nan 0.000 0.521 314 F N -1.049 118.846 119.950 -0.092 0.000 2.799 314 F HA 0.365 4.891 4.527 -0.000 0.000 0.316 314 F C -0.430 175.388 175.800 0.030 0.000 1.155 314 F CA -1.404 56.612 58.000 0.027 0.000 0.916 314 F CB 0.554 39.639 39.000 0.142 0.000 1.294 314 F HN -0.147 nan 8.300 nan 0.000 0.447 315 K N 1.858 122.502 120.400 0.407 0.000 2.451 315 K HA 0.214 4.533 4.320 -0.001 0.000 0.280 315 K C -1.039 175.807 176.600 0.409 0.000 1.020 315 K CA -0.145 56.297 56.287 0.258 0.000 1.008 315 K CB 0.528 33.121 32.500 0.156 0.000 0.917 315 K HN 0.766 nan 8.250 nan 0.000 0.478 316 K N 2.929 123.450 120.400 0.201 0.000 2.293 316 K HA 0.216 4.535 4.320 -0.001 0.000 0.267 316 K C -0.347 176.372 176.600 0.198 0.000 1.010 316 K CA -0.471 55.938 56.287 0.203 0.000 0.875 316 K CB 1.914 34.440 32.500 0.044 0.000 1.106 316 K HN 0.671 nan 8.250 nan 0.000 0.450 317 T N 1.266 116.016 114.554 0.327 0.000 2.647 317 T HA 0.183 4.533 4.350 -0.001 0.000 0.302 317 T C -1.527 173.368 174.700 0.324 0.000 1.389 317 T CA -0.605 61.638 62.100 0.239 0.000 1.037 317 T CB 0.869 69.845 68.868 0.179 0.000 1.755 317 T HN 0.421 nan 8.240 nan 0.000 0.467 318 Q N 0.969 120.926 119.800 0.262 0.000 2.214 318 Q HA 0.779 5.119 4.340 -0.001 0.000 0.251 318 Q C -0.346 175.949 176.000 0.491 0.000 0.936 318 Q CA -0.503 55.516 55.803 0.359 0.000 0.894 318 Q CB 1.352 30.271 28.738 0.301 0.000 1.252 318 Q HN 0.692 nan 8.270 nan 0.000 0.448 319 I N -1.633 119.187 120.570 0.416 0.000 2.802 319 I HA 0.668 4.837 4.170 -0.001 0.000 0.298 319 I C -1.625 174.355 176.117 -0.229 0.000 1.176 319 I CA -1.326 60.067 61.300 0.155 0.000 1.025 319 I CB 1.838 39.763 38.000 -0.125 0.000 1.243 319 I HN 0.547 nan 8.210 nan 0.000 0.424 320 L N 7.098 127.943 121.223 -0.630 0.000 2.376 320 L HA 0.790 5.129 4.340 -0.001 0.000 0.275 320 L C -1.294 175.359 176.870 -0.361 0.000 0.987 320 L CA -0.514 53.858 54.840 -0.781 0.000 0.828 320 L CB 1.602 42.674 42.059 -1.645 0.000 1.249 320 L HN 0.833 nan 8.230 nan 0.000 0.409 321 L N 2.414 123.564 121.223 -0.123 0.000 2.600 321 L HA 1.115 5.455 4.340 -0.001 0.000 0.257 321 L C -0.765 175.951 176.870 -0.257 0.000 1.048 321 L CA -0.457 54.360 54.840 -0.039 0.000 0.869 321 L CB 1.956 43.972 42.059 -0.072 0.000 1.482 321 L HN 0.652 nan 8.230 nan 0.000 0.408 322 G N -0.142 108.312 108.800 -0.578 0.000 2.430 322 G HA2 0.594 4.553 3.960 -0.001 0.000 0.300 322 G HA3 0.594 4.553 3.960 -0.001 0.000 0.300 322 G C -1.525 173.039 174.900 -0.561 0.000 1.330 322 G CA 0.012 44.378 45.100 -1.222 0.000 0.813 322 G HN 1.474 nan 8.290 nan 0.000 0.487 323 V N -2.591 117.132 119.914 -0.319 0.000 3.181 323 V HA 0.851 4.970 4.120 -0.001 0.000 0.308 323 V C -1.004 175.162 176.094 0.121 0.000 1.214 323 V CA -1.417 60.909 62.300 0.044 0.000 1.053 323 V CB 1.866 33.742 31.823 0.088 0.000 1.069 323 V HN 0.699 nan 8.190 nan 0.000 0.441 324 N N 0.671 119.464 118.700 0.156 0.000 2.477 324 N HA 0.436 5.175 4.740 -0.001 0.000 0.284 324 N C 0.552 176.002 175.510 -0.099 0.000 1.182 324 N CA -0.542 52.577 53.050 0.114 0.000 0.949 324 N CB 1.690 40.353 38.487 0.294 0.000 1.204 324 N HN 0.918 nan 8.380 nan 0.000 0.526 325 K N -0.091 120.170 120.400 -0.231 0.000 2.057 325 K HA -0.052 4.268 4.320 -0.001 0.000 0.207 325 K C -0.619 176.066 176.600 0.141 0.000 1.049 325 K CA 1.245 57.479 56.287 -0.089 0.000 0.931 325 K CB 0.214 32.696 32.500 -0.030 0.000 0.714 325 K HN 0.499 nan 8.250 nan 0.000 0.440 326 D N 1.162 121.643 120.400 0.135 0.000 2.795 326 D HA 0.035 4.675 4.640 -0.001 0.000 0.335 326 D C 0.139 176.551 176.300 0.187 0.000 1.262 326 D CA -0.081 54.012 54.000 0.156 0.000 0.885 326 D CB 1.243 42.109 40.800 0.110 0.000 1.047 326 D HN 0.161 nan 8.370 nan 0.000 0.500 327 E N 0.560 120.897 120.200 0.229 0.000 2.118 327 E HA -0.130 4.219 4.350 -0.001 0.000 0.195 327 E C 2.000 178.778 176.600 0.297 0.000 0.992 327 E CA 0.758 57.337 56.400 0.299 0.000 0.804 327 E CB 0.084 29.939 29.700 0.260 0.000 0.741 327 E HN 0.425 nan 8.360 nan 0.000 0.458 328 G N 1.371 110.313 108.800 0.237 0.000 2.511 328 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.217 328 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.217 328 G C 1.745 176.794 174.900 0.249 0.000 1.133 328 G CA 0.965 46.227 45.100 0.270 0.000 0.792 328 G HN 0.376 nan 8.290 nan 0.000 0.539 329 S N 0.732 116.520 115.700 0.147 0.000 2.380 329 S HA -0.213 4.256 4.470 -0.001 0.000 0.229 329 S C 2.074 176.638 174.600 -0.060 0.000 1.043 329 S CA 1.276 59.500 58.200 0.041 0.000 1.038 329 S CB -0.617 62.492 63.200 -0.151 0.000 0.872 329 S HN 0.139 nan 8.310 nan 0.000 0.456 330 F N 2.017 121.808 119.950 -0.266 0.000 2.095 330 F HA 0.038 4.565 4.527 -0.001 0.000 0.298 330 F C 1.915 177.403 175.800 -0.521 0.000 1.104 330 F CA 0.640 58.313 58.000 -0.546 0.000 1.232 330 F CB -0.864 37.602 39.000 -0.889 0.000 0.987 330 F HN 0.193 nan 8.300 nan 0.000 0.475 331 F N -0.867 119.074 119.950 -0.015 0.000 2.407 331 F HA -0.085 4.441 4.527 -0.001 0.000 0.299 331 F C 2.145 177.913 175.800 -0.054 0.000 1.097 331 F CA 0.651 58.586 58.000 -0.108 0.000 1.422 331 F CB -0.889 37.958 39.000 -0.255 0.000 1.067 331 F HN -0.094 nan 8.300 nan 0.000 0.539 332 L N -0.921 120.305 121.223 0.005 0.000 2.162 332 L HA -0.093 4.246 4.340 -0.001 0.000 0.205 332 L C 2.372 179.144 176.870 -0.163 0.000 1.086 332 L CA 0.319 54.956 54.840 -0.338 0.000 0.778 332 L CB -0.516 40.953 42.059 -0.983 0.000 0.928 332 L HN 0.143 nan 8.230 nan 0.000 0.446 333 L N -0.874 120.440 121.223 0.151 0.000 2.012 333 L HA -0.247 4.093 4.340 -0.001 0.000 0.210 333 L C 2.311 179.376 176.870 0.325 0.000 1.073 333 L CA 2.063 57.152 54.840 0.415 0.000 0.748 333 L CB -0.670 41.652 42.059 0.439 0.000 0.891 333 L HN 0.110 nan 8.230 nan 0.000 0.431 334 Y N -0.569 119.805 120.300 0.123 0.000 2.457 334 Y HA 0.177 4.727 4.550 -0.001 0.000 0.292 334 Y C 2.237 178.144 175.900 0.012 0.000 1.125 334 Y CA 1.016 59.159 58.100 0.072 0.000 1.254 334 Y CB -0.158 38.296 38.460 -0.010 0.000 1.012 334 Y HN 0.317 nan 8.280 nan 0.000 0.555 335 G N -1.893 106.995 108.800 0.148 0.000 3.581 335 G HA2 0.448 4.407 3.960 -0.001 0.000 0.248 335 G HA3 0.448 4.407 3.960 -0.001 0.000 0.248 335 G C -0.237 174.708 174.900 0.075 0.000 1.037 335 G CA 0.341 45.486 45.100 0.075 0.000 0.902 335 G HN 0.260 nan 8.290 nan 0.000 0.512 336 A N 1.809 124.690 122.820 0.102 0.000 2.304 336 A HA 0.801 5.120 4.320 -0.001 0.000 0.323 336 A C -2.491 175.263 177.584 0.283 0.000 1.195 336 A CA -1.589 50.546 52.037 0.163 0.000 0.826 336 A CB 1.236 20.308 19.000 0.120 0.000 1.184 336 A HN 0.059 nan 8.150 nan 0.000 0.496 337 P HA 0.257 nan 4.420 nan 0.000 0.268 337 P C 0.859 178.218 177.300 0.099 0.000 1.204 337 P CA 1.454 64.629 63.100 0.125 0.000 0.768 337 P CB 1.143 32.884 31.700 0.068 0.000 0.842 338 G N 2.142 110.947 108.800 0.010 0.000 2.259 338 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.217 338 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.217 338 G C -0.246 174.461 174.900 -0.321 0.000 1.001 338 G CA -0.522 44.469 45.100 -0.183 0.000 0.627 338 G HN 0.430 nan 8.290 nan 0.000 0.501 339 F N 2.353 122.243 119.950 -0.101 0.000 2.404 339 F HA 0.724 5.251 4.527 -0.001 0.000 0.345 339 F C 0.702 176.504 175.800 0.004 0.000 1.110 339 F CA -0.231 57.672 58.000 -0.161 0.000 1.130 339 F CB 2.073 41.027 39.000 -0.076 0.000 1.129 339 F HN 0.051 nan 8.300 nan 0.000 0.500 340 S N 1.765 117.580 115.700 0.192 0.000 2.564 340 S HA 0.284 4.753 4.470 -0.001 0.000 0.274 340 S C 0.626 175.459 174.600 0.388 0.000 1.124 340 S CA -1.128 57.219 58.200 0.245 0.000 0.869 340 S CB 2.293 65.559 63.200 0.110 0.000 1.105 340 S HN 0.704 nan 8.310 nan 0.000 0.472 341 K N 0.562 121.132 120.400 0.284 0.000 2.097 341 K HA -0.064 4.256 4.320 -0.001 0.000 0.205 341 K C -0.146 176.524 176.600 0.116 0.000 1.050 341 K CA 1.374 57.747 56.287 0.144 0.000 0.938 341 K CB 0.017 32.320 32.500 -0.329 0.000 0.718 341 K HN 0.481 nan 8.250 nan 0.000 0.442 342 D N 0.479 120.925 120.400 0.077 0.000 2.388 342 D HA 0.020 4.660 4.640 -0.001 0.000 0.221 342 D C -0.031 176.316 176.300 0.078 0.000 1.133 342 D CA 0.107 54.135 54.000 0.047 0.000 0.831 342 D CB 0.749 41.543 40.800 -0.010 0.000 0.962 342 D HN 0.167 nan 8.370 nan 0.000 0.502 343 S N -1.106 114.666 115.700 0.119 0.000 2.671 343 S HA 0.350 4.819 4.470 -0.001 0.000 0.299 343 S C 0.731 175.364 174.600 0.054 0.000 1.116 343 S CA -0.736 57.492 58.200 0.047 0.000 0.912 343 S CB 2.432 65.615 63.200 -0.028 0.000 1.130 343 S HN -0.141 nan 8.310 nan 0.000 0.501 344 E N 0.656 120.843 120.200 -0.022 0.000 2.478 344 E HA 0.065 4.415 4.350 -0.001 0.000 0.198 344 E C -0.364 176.006 176.600 -0.384 0.000 1.046 344 E CA 0.390 56.762 56.400 -0.047 0.000 0.870 344 E CB -0.218 29.471 29.700 -0.018 0.000 0.818 344 E HN 0.708 nan 8.360 nan 0.000 0.527 345 S N 1.162 116.577 115.700 -0.474 0.000 3.631 345 S HA -0.177 4.293 4.470 -0.001 0.000 0.366 345 S C -0.280 173.948 174.600 -0.621 0.000 0.993 345 S CA 0.647 58.419 58.200 -0.714 0.000 1.167 345 S CB -1.176 61.215 63.200 -1.348 0.000 0.909 345 S HN 0.285 nan 8.310 nan 0.000 0.478 346 K N 1.012 121.189 120.400 -0.371 0.000 2.383 346 K HA 0.226 4.545 4.320 -0.001 0.000 0.286 346 K C 0.345 176.755 176.600 -0.316 0.000 1.051 346 K CA -0.105 56.017 56.287 -0.275 0.000 0.974 346 K CB 0.354 32.753 32.500 -0.168 0.000 0.968 346 K HN 0.224 nan 8.250 nan 0.000 0.475 347 I N 3.049 123.431 120.570 -0.313 0.000 2.353 347 I HA 0.024 4.193 4.170 -0.001 0.000 0.293 347 I C 1.187 177.223 176.117 -0.134 0.000 0.992 347 I CA -0.149 60.984 61.300 -0.278 0.000 1.268 347 I CB 0.971 38.799 38.000 -0.286 0.000 1.387 347 I HN 0.683 nan 8.210 nan 0.000 0.478 348 S N 6.494 122.132 115.700 -0.104 0.000 2.626 348 S HA 0.208 4.678 4.470 -0.001 0.000 0.257 348 S C 1.187 175.786 174.600 -0.002 0.000 1.288 348 S CA -0.284 57.882 58.200 -0.057 0.000 0.980 348 S CB 1.219 64.393 63.200 -0.044 0.000 0.975 348 S HN 0.602 nan 8.310 nan 0.000 0.577 349 R N 0.615 121.116 120.500 0.001 0.000 2.090 349 R HA 0.037 4.377 4.340 -0.001 0.000 0.228 349 R C 1.984 178.354 176.300 0.117 0.000 1.110 349 R CA 1.733 57.858 56.100 0.041 0.000 0.973 349 R CB -1.020 29.290 30.300 0.017 0.000 0.869 349 R HN 0.816 nan 8.270 nan 0.000 0.440 350 E N 0.303 120.546 120.200 0.072 0.000 2.077 350 E HA -0.129 4.221 4.350 -0.001 0.000 0.193 350 E C 1.511 178.158 176.600 0.078 0.000 0.989 350 E CA 1.556 57.998 56.400 0.071 0.000 0.800 350 E CB -0.205 29.518 29.700 0.038 0.000 0.746 350 E HN 0.320 nan 8.360 nan 0.000 0.452 351 D N -0.482 119.955 120.400 0.062 0.000 2.183 351 D HA -0.104 4.535 4.640 -0.001 0.000 0.203 351 D C 1.597 177.959 176.300 0.104 0.000 0.969 351 D CA 0.426 54.458 54.000 0.054 0.000 0.842 351 D CB -0.220 40.572 40.800 -0.013 0.000 0.957 351 D HN 0.115 nan 8.370 nan 0.000 0.484 352 F N 1.291 121.240 119.950 -0.001 0.000 2.075 352 F HA -0.163 4.363 4.527 -0.001 0.000 0.297 352 F C 2.313 178.141 175.800 0.046 0.000 1.113 352 F CA 1.408 59.423 58.000 0.026 0.000 1.218 352 F CB -0.241 38.754 39.000 -0.009 0.000 0.984 352 F HN -0.172 nan 8.300 nan 0.000 0.472 353 M N -0.627 119.057 119.600 0.140 0.000 2.213 353 M HA -0.202 4.278 4.480 -0.001 0.000 0.263 353 M C 2.229 178.512 176.300 -0.028 0.000 1.062 353 M CA 1.596 56.921 55.300 0.042 0.000 1.105 353 M CB -0.602 32.079 32.600 0.135 0.000 1.385 353 M HN 0.096 nan 8.290 nan 0.000 0.417 354 S N 0.557 116.259 115.700 0.004 0.000 2.383 354 S HA -0.070 4.400 4.470 -0.001 0.000 0.227 354 S C 2.022 176.607 174.600 -0.024 0.000 1.026 354 S CA 1.374 59.576 58.200 0.003 0.000 0.981 354 S CB -0.679 62.539 63.200 0.030 0.000 0.818 354 S HN 0.687 nan 8.310 nan 0.000 0.472 355 G N 0.995 109.767 108.800 -0.046 0.000 2.418 355 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.217 355 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.217 355 G C 1.549 176.360 174.900 -0.148 0.000 1.158 355 G CA 0.955 46.018 45.100 -0.062 0.000 0.771 355 G HN 0.447 nan 8.290 nan 0.000 0.545 356 V N 1.248 121.005 119.914 -0.262 0.000 2.427 356 V HA 0.004 4.124 4.120 -0.001 0.000 0.248 356 V C 3.114 179.140 176.094 -0.114 0.000 1.051 356 V CA 3.176 65.345 62.300 -0.219 0.000 1.048 356 V CB -0.618 31.049 31.823 -0.261 0.000 0.666 356 V HN 0.510 nan 8.190 nan 0.000 0.456 357 K N -0.395 119.951 120.400 -0.090 0.000 2.097 357 K HA -0.095 4.224 4.320 -0.001 0.000 0.206 357 K C 1.971 178.530 176.600 -0.067 0.000 1.049 357 K CA 1.919 58.161 56.287 -0.075 0.000 0.933 357 K CB -0.964 31.507 32.500 -0.048 0.000 0.717 357 K HN 0.484 nan 8.250 nan 0.000 0.442 358 L N 1.190 122.387 121.223 -0.042 0.000 2.109 358 L HA 0.008 4.348 4.340 -0.001 0.000 0.207 358 L C 2.543 179.408 176.870 -0.008 0.000 1.086 358 L CA 1.875 56.707 54.840 -0.012 0.000 0.760 358 L CB -0.346 41.715 42.059 0.004 0.000 0.910 358 L HN 0.391 nan 8.230 nan 0.000 0.437 359 S N -1.663 114.018 115.700 -0.033 0.000 2.436 359 S HA 0.040 4.510 4.470 -0.001 0.000 0.228 359 S C 0.958 175.536 174.600 -0.037 0.000 1.014 359 S CA 0.487 58.674 58.200 -0.022 0.000 0.950 359 S CB 0.204 63.370 63.200 -0.057 0.000 0.784 359 S HN 0.154 nan 8.310 nan 0.000 0.504 360 V N 3.235 123.093 119.914 -0.093 0.000 2.454 360 V HA 0.205 4.324 4.120 -0.001 0.000 0.255 360 V C -1.769 174.178 176.094 -0.244 0.000 1.009 360 V CA -1.323 60.858 62.300 -0.197 0.000 1.149 360 V CB 0.787 32.473 31.823 -0.227 0.000 1.418 360 V HN 0.196 nan 8.190 nan 0.000 0.567 361 P HA -0.192 nan 4.420 nan 0.000 0.221 361 P C 1.008 177.908 177.300 -0.666 0.000 1.145 361 P CA 1.528 64.469 63.100 -0.265 0.000 0.795 361 P CB 0.043 31.721 31.700 -0.035 0.000 0.775 362 H N -1.285 117.493 119.070 -0.487 0.000 2.539 362 H HA 0.525 5.081 4.556 -0.001 0.000 0.269 362 H C 0.369 175.528 175.328 -0.281 0.000 0.980 362 H CA -0.334 55.430 56.048 -0.474 0.000 1.152 362 H CB -0.382 29.293 29.762 -0.144 0.000 1.407 362 H HN -0.021 nan 8.280 nan 0.000 0.564 363 A N 2.002 124.468 122.820 -0.590 0.000 2.303 363 A HA 0.363 4.683 4.320 -0.001 0.000 0.317 363 A C 0.190 177.629 177.584 -0.241 0.000 1.149 363 A CA -0.648 51.150 52.037 -0.398 0.000 0.822 363 A CB 0.764 19.529 19.000 -0.392 0.000 1.131 363 A HN 0.606 nan 8.150 nan 0.000 0.493 364 N N 0.968 119.571 118.700 -0.162 0.000 2.366 364 N HA 0.179 4.919 4.740 -0.001 0.000 0.277 364 N C -0.121 175.340 175.510 -0.082 0.000 1.275 364 N CA -0.181 52.806 53.050 -0.105 0.000 0.964 364 N CB 0.058 38.501 38.487 -0.074 0.000 1.167 364 N HN 0.470 nan 8.380 nan 0.000 0.568 365 D N -1.060 119.311 120.400 -0.049 0.000 2.144 365 D HA -0.107 4.532 4.640 -0.001 0.000 0.199 365 D C 1.638 177.932 176.300 -0.010 0.000 0.984 365 D CA 0.722 54.707 54.000 -0.025 0.000 0.834 365 D CB -0.231 40.562 40.800 -0.012 0.000 0.955 365 D HN 0.433 nan 8.370 nan 0.000 0.465 366 L N 0.396 121.609 121.223 -0.015 0.000 2.046 366 L HA 0.039 4.378 4.340 -0.001 0.000 0.208 366 L C 2.142 179.020 176.870 0.012 0.000 1.077 366 L CA 1.878 56.720 54.840 0.003 0.000 0.747 366 L CB -0.851 41.203 42.059 -0.009 0.000 0.896 366 L HN 0.085 nan 8.230 nan 0.000 0.432 367 G N -0.596 108.184 108.800 -0.033 0.000 2.408 367 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.217 367 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.217 367 G C 1.583 176.486 174.900 0.006 0.000 1.150 367 G CA 0.974 46.048 45.100 -0.044 0.000 0.776 367 G HN 0.425 nan 8.290 nan 0.000 0.542 368 L N 0.454 121.669 121.223 -0.014 0.000 2.083 368 L HA -0.054 4.286 4.340 -0.001 0.000 0.209 368 L C 2.467 179.383 176.870 0.076 0.000 1.083 368 L CA 1.082 55.928 54.840 0.011 0.000 0.752 368 L CB -0.343 41.708 42.059 -0.014 0.000 0.899 368 L HN 0.100 nan 8.230 nan 0.000 0.433 369 D N 0.288 120.738 120.400 0.083 0.000 2.117 369 D HA -0.139 4.500 4.640 -0.001 0.000 0.198 369 D C 2.263 178.654 176.300 0.153 0.000 0.982 369 D CA 1.476 55.548 54.000 0.120 0.000 0.828 369 D CB -0.026 40.828 40.800 0.090 0.000 0.967 369 D HN 0.291 nan 8.370 nan 0.000 0.464 370 A N 0.821 123.745 122.820 0.173 0.000 1.883 370 A HA -0.172 4.147 4.320 -0.001 0.000 0.217 370 A C 2.572 180.260 177.584 0.173 0.000 1.186 370 A CA 1.498 53.693 52.037 0.263 0.000 0.624 370 A CB -0.831 18.431 19.000 0.438 0.000 0.822 370 A HN 0.150 nan 8.150 nan 0.000 0.444 371 V N -0.473 119.560 119.914 0.198 0.000 2.261 371 V HA -0.232 3.888 4.120 -0.001 0.000 0.246 371 V C 2.756 178.937 176.094 0.145 0.000 1.047 371 V CA 2.502 64.852 62.300 0.083 0.000 1.015 371 V CB -1.345 30.564 31.823 0.144 0.000 0.642 371 V HN 0.610 nan 8.190 nan 0.000 0.446 372 T N 0.681 115.358 114.554 0.204 0.000 2.684 372 T HA -0.230 4.119 4.350 -0.001 0.000 0.267 372 T C 1.906 176.790 174.700 0.305 0.000 1.036 372 T CA 2.060 64.357 62.100 0.328 0.000 1.148 372 T CB -0.419 68.656 68.868 0.345 0.000 0.863 372 T HN 0.309 nan 8.240 nan 0.000 0.436 373 L N 1.294 122.689 121.223 0.287 0.000 2.012 373 L HA -0.091 4.248 4.340 -0.001 0.000 0.210 373 L C 2.481 179.426 176.870 0.126 0.000 1.073 373 L CA 1.902 56.950 54.840 0.347 0.000 0.748 373 L CB -0.922 41.262 42.059 0.208 0.000 0.891 373 L HN 0.131 nan 8.230 nan 0.000 0.431 374 Q N -1.341 118.395 119.800 -0.106 0.000 2.170 374 Q HA -0.208 4.132 4.340 -0.001 0.000 0.203 374 Q C 1.246 176.992 176.000 -0.424 0.000 0.976 374 Q CA 1.957 57.514 55.803 -0.410 0.000 0.858 374 Q CB -0.242 27.906 28.738 -0.983 0.000 0.907 374 Q HN 0.713 nan 8.270 nan 0.000 0.433 375 Y N -1.297 118.943 120.300 -0.100 0.000 2.531 375 Y HA 0.323 4.872 4.550 -0.001 0.000 0.249 375 Y C -0.131 175.698 175.900 -0.118 0.000 1.168 375 Y CA -0.198 57.891 58.100 -0.020 0.000 1.226 375 Y CB 0.989 39.538 38.460 0.149 0.000 1.177 375 Y HN -0.171 nan 8.280 nan 0.000 0.527 376 T N 0.658 115.095 114.554 -0.195 0.000 2.829 376 T HA 0.105 4.454 4.350 -0.001 0.000 0.282 376 T C -0.796 173.480 174.700 -0.706 0.000 0.990 376 T CA -0.615 61.099 62.100 -0.644 0.000 1.028 376 T CB 1.101 69.230 68.868 -1.231 0.000 0.951 376 T HN -0.023 nan 8.240 nan 0.000 0.460 377 D N 1.828 121.877 120.400 -0.585 0.000 2.456 377 D HA 0.140 4.780 4.640 -0.001 0.000 0.219 377 D C -0.007 176.048 176.300 -0.408 0.000 1.126 377 D CA -0.818 52.965 54.000 -0.362 0.000 0.890 377 D CB 0.332 41.005 40.800 -0.212 0.000 1.025 377 D HN 0.601 nan 8.370 nan 0.000 0.511 378 W N 3.001 124.262 121.300 -0.064 0.000 2.961 378 W HA 0.009 4.668 4.660 -0.001 0.000 0.240 378 W C 1.825 178.315 176.519 -0.048 0.000 1.305 378 W CA -0.343 56.968 57.345 -0.057 0.000 1.465 378 W CB 0.066 29.497 29.460 -0.049 0.000 1.135 378 W HN 0.355 nan 8.180 nan 0.000 0.688 379 M N -0.515 119.135 119.600 0.083 0.000 2.502 379 M HA 0.038 4.517 4.480 -0.001 0.000 0.243 379 M C -0.149 176.155 176.300 0.006 0.000 1.130 379 M CA 1.220 56.550 55.300 0.050 0.000 1.055 379 M CB -0.170 32.445 32.600 0.025 0.000 1.457 379 M HN -0.117 nan 8.290 nan 0.000 0.488 380 D N 0.127 120.504 120.400 -0.039 0.000 3.602 380 D HA -0.004 4.636 4.640 -0.001 0.000 0.275 380 D C 0.455 176.673 176.300 -0.138 0.000 1.348 380 D CA 0.087 54.046 54.000 -0.068 0.000 0.768 380 D CB 0.278 41.039 40.800 -0.066 0.000 1.373 380 D HN 0.166 nan 8.370 nan 0.000 0.683 381 D N -0.714 119.600 120.400 -0.144 0.000 2.350 381 D HA -0.118 4.522 4.640 -0.001 0.000 0.216 381 D C 0.467 176.642 176.300 -0.210 0.000 0.968 381 D CA 0.278 54.122 54.000 -0.259 0.000 0.894 381 D CB 0.184 40.867 40.800 -0.196 0.000 0.909 381 D HN 0.176 nan 8.370 nan 0.000 0.520 382 N N 0.450 119.075 118.700 -0.126 0.000 2.235 382 N HA -0.014 4.726 4.740 -0.001 0.000 0.209 382 N C -0.284 175.162 175.510 -0.107 0.000 1.122 382 N CA -0.184 52.804 53.050 -0.103 0.000 0.845 382 N CB 0.079 38.532 38.487 -0.057 0.000 1.004 382 N HN 0.371 nan 8.380 nan 0.000 0.499 383 N N 0.190 118.814 118.700 -0.126 0.000 2.416 383 N HA 0.059 4.799 4.740 -0.001 0.000 0.265 383 N C 1.465 176.904 175.510 -0.117 0.000 1.195 383 N CA -0.257 52.730 53.050 -0.106 0.000 0.943 383 N CB 0.746 39.173 38.487 -0.100 0.000 1.115 383 N HN 0.051 nan 8.380 nan 0.000 0.481 384 G N 4.312 113.052 108.800 -0.100 0.000 2.422 384 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.218 384 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.218 384 G C 1.349 176.189 174.900 -0.100 0.000 1.146 384 G CA 0.479 45.512 45.100 -0.111 0.000 0.769 384 G HN 0.615 nan 8.290 nan 0.000 0.547 385 I N 0.744 121.273 120.570 -0.067 0.000 2.252 385 I HA -0.073 4.097 4.170 -0.001 0.000 0.245 385 I C 2.571 178.684 176.117 -0.007 0.000 1.102 385 I CA 1.197 62.480 61.300 -0.028 0.000 1.385 385 I CB -0.791 37.205 38.000 -0.006 0.000 1.064 385 I HN 0.218 nan 8.210 nan 0.000 0.414 386 K N 0.574 120.950 120.400 -0.041 0.000 2.097 386 K HA -0.114 4.206 4.320 -0.001 0.000 0.205 386 K C 1.826 178.392 176.600 -0.057 0.000 1.050 386 K CA 0.972 57.231 56.287 -0.046 0.000 0.938 386 K CB -0.049 32.390 32.500 -0.101 0.000 0.718 386 K HN 0.309 nan 8.250 nan 0.000 0.442 387 N N 0.835 119.466 118.700 -0.115 0.000 2.216 387 N HA -0.147 4.592 4.740 -0.001 0.000 0.183 387 N C 1.718 177.352 175.510 0.208 0.000 1.017 387 N CA 0.797 53.784 53.050 -0.106 0.000 0.861 387 N CB -0.150 38.238 38.487 -0.166 0.000 0.986 387 N HN 0.172 nan 8.380 nan 0.000 0.428 388 R N 1.355 121.912 120.500 0.095 0.000 2.073 388 R HA -0.099 4.240 4.340 -0.001 0.000 0.234 388 R C 0.608 177.090 176.300 0.302 0.000 1.134 388 R CA 1.436 57.630 56.100 0.156 0.000 0.952 388 R CB -0.151 30.127 30.300 -0.037 0.000 0.850 388 R HN 0.107 nan 8.270 nan 0.000 0.433 389 D N -0.608 119.927 120.400 0.225 0.000 2.178 389 D HA -0.059 4.580 4.640 -0.001 0.000 0.202 389 D C 1.723 178.179 176.300 0.260 0.000 0.974 389 D CA 1.350 55.496 54.000 0.243 0.000 0.841 389 D CB -0.458 40.453 40.800 0.185 0.000 0.953 389 D HN 0.493 nan 8.370 nan 0.000 0.478 390 G N 0.844 109.810 108.800 0.276 0.000 2.402 390 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.216 390 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.216 390 G C 1.559 176.637 174.900 0.296 0.000 1.162 390 G CA 0.240 45.551 45.100 0.353 0.000 0.777 390 G HN 0.190 nan 8.290 nan 0.000 0.539 391 L N 0.971 122.410 121.223 0.361 0.000 2.093 391 L HA 0.013 4.353 4.340 -0.001 0.000 0.208 391 L C 2.245 179.171 176.870 0.094 0.000 1.085 391 L CA 1.879 56.804 54.840 0.141 0.000 0.755 391 L CB -0.526 41.679 42.059 0.244 0.000 0.904 391 L HN 0.176 nan 8.230 nan 0.000 0.435 392 D N -0.556 119.964 120.400 0.199 0.000 2.104 392 D HA -0.215 4.424 4.640 -0.001 0.000 0.194 392 D C 1.603 177.983 176.300 0.133 0.000 0.994 392 D CA 1.363 55.471 54.000 0.181 0.000 0.830 392 D CB 0.089 41.053 40.800 0.273 0.000 0.959 392 D HN 0.363 nan 8.370 nan 0.000 0.452 393 D N -0.058 120.431 120.400 0.150 0.000 2.178 393 D HA -0.073 4.567 4.640 -0.001 0.000 0.202 393 D C 2.346 178.652 176.300 0.011 0.000 0.974 393 D CA 0.266 54.366 54.000 0.167 0.000 0.841 393 D CB -0.047 40.954 40.800 0.334 0.000 0.953 393 D HN 0.372 nan 8.370 nan 0.000 0.478 394 I N 0.538 120.960 120.570 -0.246 0.000 2.179 394 I HA -0.241 3.928 4.170 -0.001 0.000 0.242 394 I C 2.436 178.433 176.117 -0.199 0.000 1.088 394 I CA 0.715 61.792 61.300 -0.371 0.000 1.357 394 I CB -0.136 37.629 38.000 -0.392 0.000 1.051 394 I HN -0.117 nan 8.210 nan 0.000 0.409 395 V N 0.871 120.716 119.914 -0.115 0.000 2.343 395 V HA -0.203 3.917 4.120 -0.001 0.000 0.247 395 V C 2.535 178.547 176.094 -0.137 0.000 1.051 395 V CA 2.165 64.411 62.300 -0.089 0.000 1.036 395 V CB -1.388 30.450 31.823 0.025 0.000 0.654 395 V HN 0.580 nan 8.190 nan 0.000 0.451 396 G N -0.417 108.359 108.800 -0.041 0.000 2.402 396 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.216 396 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.216 396 G C 1.236 176.081 174.900 -0.092 0.000 1.162 396 G CA 0.913 46.003 45.100 -0.017 0.000 0.777 396 G HN 0.494 nan 8.290 nan 0.000 0.539 397 D N -0.196 120.154 120.400 -0.084 0.000 2.097 397 D HA -0.082 4.558 4.640 -0.001 0.000 0.197 397 D C 2.082 178.088 176.300 -0.491 0.000 0.984 397 D CA 1.259 55.189 54.000 -0.117 0.000 0.826 397 D CB -0.417 40.483 40.800 0.168 0.000 0.973 397 D HN 0.426 nan 8.370 nan 0.000 0.460 398 H N 0.837 119.303 119.070 -1.007 0.000 2.357 398 H HA 0.049 4.605 4.556 -0.001 0.000 0.301 398 H C 1.500 176.437 175.328 -0.652 0.000 1.082 398 H CA 1.609 56.907 56.048 -1.249 0.000 1.342 398 H CB 0.082 28.912 29.762 -1.553 0.000 1.389 398 H HN -0.012 nan 8.280 nan 0.000 0.511 399 N N -0.708 117.528 118.700 -0.772 0.000 2.409 399 N HA -0.004 4.735 4.740 -0.001 0.000 0.174 399 N C 1.158 176.387 175.510 -0.468 0.000 1.037 399 N CA 1.068 53.613 53.050 -0.842 0.000 0.898 399 N CB 1.052 38.605 38.487 -1.558 0.000 1.010 399 N HN 0.269 nan 8.380 nan 0.000 0.445 400 V N 0.516 120.245 119.914 -0.309 0.000 3.278 400 V HA 0.150 4.270 4.120 -0.001 0.000 0.215 400 V C 2.096 178.164 176.094 -0.043 0.000 1.287 400 V CA -0.066 62.186 62.300 -0.080 0.000 1.302 400 V CB 0.051 31.902 31.823 0.047 0.000 1.228 400 V HN -0.064 nan 8.190 nan 0.000 0.523 401 I N 0.665 121.227 120.570 -0.014 0.000 2.099 401 I HA -0.318 3.851 4.170 -0.001 0.000 0.239 401 I C 2.592 178.724 176.117 0.025 0.000 1.066 401 I CA 2.082 63.402 61.300 0.034 0.000 1.324 401 I CB -0.493 37.565 38.000 0.096 0.000 1.037 401 I HN 0.395 nan 8.210 nan 0.000 0.401 402 c N 0.592 119.200 118.600 0.012 0.000 2.425 402 c HA -0.050 4.519 4.570 -0.001 0.000 0.277 402 c C 0.253 174.376 174.090 0.056 0.000 1.280 402 c CA 0.731 57.105 56.329 0.075 0.000 1.744 402 c CB -1.852 40.742 42.510 0.139 0.000 1.989 402 c HN 0.373 nan 8.230 nan 0.000 0.491 403 P HA -0.083 nan 4.420 nan 0.000 0.217 403 P C 1.734 179.063 177.300 0.048 0.000 1.150 403 P CA 1.043 64.121 63.100 -0.037 0.000 0.832 403 P CB -0.175 31.410 31.700 -0.192 0.000 0.787 404 L N -1.900 119.333 121.223 0.018 0.000 2.093 404 L HA -0.113 4.227 4.340 -0.001 0.000 0.208 404 L C 2.034 178.955 176.870 0.084 0.000 1.085 404 L CA 1.503 56.372 54.840 0.047 0.000 0.755 404 L CB -0.463 41.596 42.059 -0.000 0.000 0.904 404 L HN -0.102 nan 8.230 nan 0.000 0.435 405 M N -1.002 118.639 119.600 0.069 0.000 2.175 405 M HA -0.204 4.276 4.480 -0.001 0.000 0.264 405 M C 2.249 178.617 176.300 0.114 0.000 1.063 405 M CA 1.586 56.924 55.300 0.063 0.000 1.119 405 M CB -1.547 31.108 32.600 0.092 0.000 1.377 405 M HN 0.411 nan 8.290 nan 0.000 0.415 406 H N -0.065 119.047 119.070 0.070 0.000 2.353 406 H HA -0.179 4.377 4.556 -0.001 0.000 0.300 406 H C 1.827 177.202 175.328 0.080 0.000 1.090 406 H CA 2.007 58.102 56.048 0.079 0.000 1.327 406 H CB -0.375 29.431 29.762 0.073 0.000 1.383 406 H HN 0.239 nan 8.280 nan 0.000 0.508 407 F N 0.070 119.968 119.950 -0.087 0.000 2.102 407 F HA -0.167 4.360 4.527 -0.001 0.000 0.298 407 F C 2.531 178.246 175.800 -0.142 0.000 1.105 407 F CA 1.540 59.446 58.000 -0.157 0.000 1.239 407 F CB -0.985 37.934 39.000 -0.134 0.000 0.991 407 F HN 0.133 nan 8.300 nan 0.000 0.474 408 V N 1.103 120.879 119.914 -0.230 0.000 2.407 408 V HA -0.276 3.844 4.120 -0.001 0.000 0.248 408 V C 2.168 178.097 176.094 -0.275 0.000 1.055 408 V CA 2.517 64.584 62.300 -0.389 0.000 1.049 408 V CB -0.647 30.889 31.823 -0.478 0.000 0.662 408 V HN 0.444 nan 8.190 nan 0.000 0.455 409 N N -0.155 118.472 118.700 -0.122 0.000 2.216 409 N HA -0.090 4.650 4.740 -0.001 0.000 0.183 409 N C 1.803 177.292 175.510 -0.035 0.000 1.017 409 N CA 1.036 54.113 53.050 0.046 0.000 0.861 409 N CB -0.183 38.366 38.487 0.103 0.000 0.986 409 N HN 0.423 nan 8.380 nan 0.000 0.428 410 K N 0.402 120.699 120.400 -0.172 0.000 2.062 410 K HA -0.085 4.235 4.320 -0.001 0.000 0.205 410 K C 1.909 178.490 176.600 -0.032 0.000 1.051 410 K CA 0.584 56.801 56.287 -0.117 0.000 0.941 410 K CB -0.657 31.706 32.500 -0.228 0.000 0.719 410 K HN 0.276 nan 8.250 nan 0.000 0.440 411 Y N 2.243 122.298 120.300 -0.407 0.000 2.163 411 Y HA -0.195 4.354 4.550 -0.001 0.000 0.288 411 Y C 2.173 178.055 175.900 -0.030 0.000 1.136 411 Y CA 1.825 59.686 58.100 -0.398 0.000 1.147 411 Y CB -0.347 37.545 38.460 -0.946 0.000 0.987 411 Y HN 0.009 nan 8.280 nan 0.000 0.509 412 T N 0.516 115.103 114.554 0.055 0.000 2.869 412 T HA -0.244 4.106 4.350 -0.001 0.000 0.270 412 T C 1.797 176.496 174.700 -0.002 0.000 1.082 412 T CA 1.701 63.863 62.100 0.104 0.000 1.123 412 T CB -0.270 68.756 68.868 0.264 0.000 0.856 412 T HN 0.322 nan 8.240 nan 0.000 0.499 413 K N -0.104 120.259 120.400 -0.063 0.000 2.148 413 K HA -0.028 4.292 4.320 -0.001 0.000 0.204 413 K C 1.174 177.490 176.600 -0.472 0.000 1.050 413 K CA 1.294 57.419 56.287 -0.272 0.000 0.942 413 K CB -0.066 32.222 32.500 -0.353 0.000 0.724 413 K HN 0.361 nan 8.250 nan 0.000 0.446 414 F N -0.162 119.725 119.950 -0.104 0.000 2.727 414 F HA 0.295 4.822 4.527 -0.001 0.000 0.302 414 F C 1.379 177.062 175.800 -0.196 0.000 1.107 414 F CA -0.210 57.692 58.000 -0.163 0.000 1.277 414 F CB 0.059 38.902 39.000 -0.262 0.000 1.079 414 F HN -0.026 nan 8.300 nan 0.000 0.594 415 G N 0.043 108.766 108.800 -0.128 0.000 2.684 415 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.255 415 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.255 415 G C 0.491 175.427 174.900 0.060 0.000 1.219 415 G CA -0.270 44.775 45.100 -0.092 0.000 0.901 415 G HN 0.319 nan 8.290 nan 0.000 0.548 416 N N -0.573 118.213 118.700 0.142 0.000 2.204 416 N HA 0.256 4.996 4.740 -0.001 0.000 0.219 416 N C 0.355 175.939 175.510 0.123 0.000 1.151 416 N CA 0.440 53.554 53.050 0.107 0.000 0.867 416 N CB 0.403 38.949 38.487 0.098 0.000 1.043 416 N HN 0.834 nan 8.380 nan 0.000 0.516 417 G N 0.381 109.274 108.800 0.155 0.000 2.146 417 G HA2 0.078 4.037 3.960 -0.001 0.000 0.261 417 G HA3 0.078 4.037 3.960 -0.001 0.000 0.261 417 G C -1.370 173.591 174.900 0.101 0.000 1.745 417 G CA -0.664 44.498 45.100 0.103 0.000 0.905 417 G HN 0.005 nan 8.290 nan 0.000 0.746 418 T N 1.436 115.920 114.554 -0.115 0.000 2.886 418 T HA 0.672 5.021 4.350 -0.001 0.000 0.292 418 T C -1.355 173.079 174.700 -0.443 0.000 1.012 418 T CA -0.384 61.641 62.100 -0.126 0.000 0.982 418 T CB 1.406 70.271 68.868 -0.005 0.000 1.018 418 T HN 0.426 nan 8.240 nan 0.000 0.451 419 Y N 1.989 122.185 120.300 -0.174 0.000 2.326 419 Y HA 0.627 5.177 4.550 -0.001 0.000 0.329 419 Y C -0.509 175.396 175.900 0.008 0.000 0.973 419 Y CA -1.087 56.844 58.100 -0.281 0.000 1.162 419 Y CB 1.447 39.290 38.460 -1.029 0.000 1.147 419 Y HN 0.452 nan 8.280 nan 0.000 0.456 420 L N 5.869 127.407 121.223 0.525 0.000 2.325 420 L HA 0.640 4.980 4.340 -0.001 0.000 0.278 420 L C -1.144 176.213 176.870 0.810 0.000 1.023 420 L CA -0.928 54.200 54.840 0.480 0.000 0.811 420 L CB 0.707 42.916 42.059 0.250 0.000 1.249 420 L HN 0.537 nan 8.230 nan 0.000 0.431 421 Y N 2.944 123.577 120.300 0.555 0.000 2.605 421 Y HA 0.720 5.270 4.550 -0.001 0.000 0.343 421 Y C -1.788 174.385 175.900 0.455 0.000 1.036 421 Y CA -1.961 56.414 58.100 0.459 0.000 1.065 421 Y CB 1.294 39.979 38.460 0.375 0.000 1.288 421 Y HN 0.515 nan 8.280 nan 0.000 0.481 422 F N 3.959 124.224 119.950 0.524 0.000 2.577 422 F HA 0.461 4.987 4.527 -0.001 0.000 0.344 422 F C -1.890 174.211 175.800 0.503 0.000 1.145 422 F CA -1.776 56.456 58.000 0.386 0.000 0.996 422 F CB 0.720 39.928 39.000 0.347 0.000 1.248 422 F HN 0.564 nan 8.300 nan 0.000 0.447 423 F N 7.870 127.877 119.950 0.095 0.000 2.438 423 F HA 0.292 4.819 4.527 -0.001 0.000 0.360 423 F C 0.243 175.914 175.800 -0.215 0.000 1.118 423 F CA -0.259 57.766 58.000 0.041 0.000 1.164 423 F CB 0.460 39.562 39.000 0.170 0.000 1.131 423 F HN 0.533 nan 8.300 nan 0.000 0.527 424 N N 3.582 121.960 118.700 -0.537 0.000 2.571 424 N HA 0.087 4.826 4.740 -0.001 0.000 0.298 424 N C -1.332 173.978 175.510 -0.334 0.000 1.671 424 N CA -0.514 52.324 53.050 -0.353 0.000 0.900 424 N CB -0.553 37.904 38.487 -0.051 0.000 1.365 424 N HN 0.624 nan 8.380 nan 0.000 0.493 425 H N 0.237 118.836 119.070 -0.784 0.000 2.481 425 H HA 0.464 5.020 4.556 -0.001 0.000 0.333 425 H C -0.688 174.505 175.328 -0.225 0.000 1.066 425 H CA -0.651 55.099 56.048 -0.497 0.000 1.209 425 H CB 1.193 30.562 29.762 -0.655 0.000 1.445 425 H HN 0.138 nan 8.280 nan 0.000 0.488 426 R N 4.265 124.388 120.500 -0.630 0.000 2.207 426 R HA 0.530 4.869 4.340 -0.001 0.000 0.334 426 R C -0.534 175.493 176.300 -0.456 0.000 1.013 426 R CA -0.627 55.264 56.100 -0.349 0.000 0.858 426 R CB 0.344 30.530 30.300 -0.189 0.000 1.094 426 R HN 0.824 nan 8.270 nan 0.000 0.457 427 A N 2.930 125.732 122.820 -0.029 0.000 2.561 427 A HA -0.029 4.291 4.320 -0.001 0.000 0.234 427 A C 1.325 178.952 177.584 0.071 0.000 1.055 427 A CA 0.600 52.783 52.037 0.243 0.000 0.756 427 A CB 0.294 19.579 19.000 0.475 0.000 0.986 427 A HN 1.014 nan 8.150 nan 0.000 0.505 428 S N 1.374 117.146 115.700 0.119 0.000 2.423 428 S HA -0.169 4.301 4.470 -0.001 0.000 0.231 428 S C 0.897 175.465 174.600 -0.054 0.000 1.014 428 S CA 1.147 59.365 58.200 0.030 0.000 0.965 428 S CB -0.467 62.776 63.200 0.071 0.000 0.785 428 S HN 0.941 nan 8.310 nan 0.000 0.495 429 N N 0.953 119.573 118.700 -0.133 0.000 2.279 429 N HA 0.198 4.937 4.740 -0.001 0.000 0.226 429 N C -0.052 175.361 175.510 -0.161 0.000 1.126 429 N CA -0.380 52.548 53.050 -0.204 0.000 0.846 429 N CB -0.297 37.956 38.487 -0.390 0.000 1.050 429 N HN 0.283 nan 8.380 nan 0.000 0.502 430 L N 2.130 123.299 121.223 -0.090 0.000 2.513 430 L HA 0.023 4.363 4.340 -0.001 0.000 0.272 430 L C 1.377 178.178 176.870 -0.115 0.000 1.187 430 L CA 0.335 55.130 54.840 -0.076 0.000 0.895 430 L CB 1.001 43.026 42.059 -0.056 0.000 1.147 430 L HN 0.210 nan 8.230 nan 0.000 0.483 431 V N 2.150 121.948 119.914 -0.194 0.000 3.235 431 V HA 0.029 4.148 4.120 -0.001 0.000 0.259 431 V C 0.770 176.780 176.094 -0.140 0.000 1.133 431 V CA -0.397 61.758 62.300 -0.241 0.000 1.128 431 V CB -0.800 30.720 31.823 -0.505 0.000 0.757 431 V HN 0.645 nan 8.190 nan 0.000 0.469 432 W N 1.864 123.115 121.300 -0.083 0.000 2.161 432 W HA 0.486 5.145 4.660 -0.001 0.000 0.344 432 W C -1.698 174.686 176.519 -0.226 0.000 1.262 432 W CA -1.996 55.259 57.345 -0.149 0.000 1.270 432 W CB -0.193 29.040 29.460 -0.379 0.000 1.126 432 W HN 0.006 nan 8.180 nan 0.000 0.598 433 P HA -0.045 nan 4.420 nan 0.000 0.270 433 P C 0.171 177.357 177.300 -0.191 0.000 1.223 433 P CA 0.227 63.269 63.100 -0.098 0.000 0.785 433 P CB 1.117 32.780 31.700 -0.062 0.000 0.923 434 E N 1.961 122.132 120.200 -0.048 0.000 2.085 434 E HA -0.177 4.173 4.350 -0.001 0.000 0.194 434 E C 1.742 178.348 176.600 0.010 0.000 0.994 434 E CA 1.786 58.178 56.400 -0.012 0.000 0.801 434 E CB -0.623 29.113 29.700 0.058 0.000 0.743 434 E HN 0.637 nan 8.360 nan 0.000 0.453 435 W N -0.332 120.992 121.300 0.040 0.000 2.387 435 W HA -0.165 4.495 4.660 -0.001 0.000 0.272 435 W C 1.215 177.770 176.519 0.059 0.000 1.224 435 W CA 0.554 57.934 57.345 0.059 0.000 1.210 435 W CB -0.714 28.794 29.460 0.080 0.000 1.125 435 W HN 0.099 nan 8.180 nan 0.000 0.572 436 M N 1.243 120.461 119.600 -0.636 0.000 2.562 436 M HA 0.132 4.611 4.480 -0.001 0.000 0.257 436 M C 1.810 177.951 176.300 -0.264 0.000 1.099 436 M CA 1.429 56.324 55.300 -0.675 0.000 1.099 436 M CB -0.588 31.391 32.600 -1.035 0.000 1.427 436 M HN 0.157 nan 8.290 nan 0.000 0.489 437 G N 0.567 109.278 108.800 -0.147 0.000 2.611 437 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.301 437 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.301 437 G C -0.134 174.726 174.900 -0.067 0.000 1.233 437 G CA -0.142 44.924 45.100 -0.058 0.000 0.993 437 G HN 0.215 nan 8.290 nan 0.000 0.553 438 V N 2.053 121.970 119.914 0.004 0.000 2.313 438 V HA 0.373 4.493 4.120 -0.001 0.000 0.252 438 V C 1.119 177.289 176.094 0.127 0.000 1.112 438 V CA -0.032 62.316 62.300 0.080 0.000 0.984 438 V CB -0.108 31.764 31.823 0.082 0.000 1.157 438 V HN 0.520 nan 8.190 nan 0.000 0.493 439 I N 2.881 123.494 120.570 0.073 0.000 2.836 439 I HA 0.097 4.267 4.170 -0.001 0.000 0.285 439 I C 0.932 177.284 176.117 0.393 0.000 1.174 439 I CA -0.393 60.965 61.300 0.098 0.000 1.405 439 I CB 0.176 38.019 38.000 -0.263 0.000 1.385 439 I HN 0.552 nan 8.210 nan 0.000 0.594 440 H N 4.105 123.346 119.070 0.285 0.000 3.107 440 H HA 0.180 4.736 4.556 -0.001 0.000 0.301 440 H C 0.958 176.459 175.328 0.287 0.000 0.981 440 H CA 0.955 57.180 56.048 0.295 0.000 1.443 440 H CB 0.128 30.077 29.762 0.312 0.000 1.479 440 H HN 0.749 nan 8.280 nan 0.000 0.564 441 G N 3.728 112.477 108.800 -0.084 0.000 2.175 441 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.244 441 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.244 441 G C 0.512 175.442 174.900 0.049 0.000 0.982 441 G CA 0.385 45.411 45.100 -0.122 0.000 0.641 441 G HN 0.633 nan 8.290 nan 0.000 0.527 442 Y N 1.333 121.789 120.300 0.260 0.000 2.470 442 Y HA 0.253 4.802 4.550 -0.001 0.000 0.284 442 Y C 2.252 178.278 175.900 0.209 0.000 1.188 442 Y CA 0.852 59.146 58.100 0.324 0.000 1.269 442 Y CB 0.438 39.114 38.460 0.360 0.000 1.094 442 Y HN 0.508 nan 8.280 nan 0.000 0.518 443 E N -0.085 120.096 120.200 -0.032 0.000 2.364 443 E HA -0.038 4.312 4.350 -0.001 0.000 0.196 443 E C 1.633 178.166 176.600 -0.112 0.000 0.990 443 E CA 0.571 56.627 56.400 -0.573 0.000 0.886 443 E CB -0.426 28.672 29.700 -1.002 0.000 0.866 443 E HN 0.516 nan 8.360 nan 0.000 0.493 444 I N 2.835 123.446 120.570 0.067 0.000 2.151 444 I HA -0.326 3.844 4.170 -0.001 0.000 0.243 444 I C 2.645 178.838 176.117 0.126 0.000 1.080 444 I CA 2.228 63.625 61.300 0.161 0.000 1.339 444 I CB -0.536 37.619 38.000 0.258 0.000 1.039 444 I HN 0.214 nan 8.210 nan 0.000 0.409 445 E N 0.873 121.108 120.200 0.058 0.000 2.209 445 E HA -0.245 4.105 4.350 -0.001 0.000 0.196 445 E C 2.015 178.494 176.600 -0.202 0.000 0.993 445 E CA 1.552 57.907 56.400 -0.075 0.000 0.819 445 E CB -0.533 29.122 29.700 -0.075 0.000 0.745 445 E HN 0.456 nan 8.360 nan 0.000 0.477 446 F N 1.036 120.911 119.950 -0.124 0.000 2.270 446 F HA -0.020 4.507 4.527 -0.001 0.000 0.295 446 F C 2.359 177.999 175.800 -0.266 0.000 1.087 446 F CA 0.520 58.404 58.000 -0.194 0.000 1.365 446 F CB -0.094 38.831 39.000 -0.125 0.000 1.056 446 F HN -0.140 nan 8.300 nan 0.000 0.506 447 V N -1.005 118.837 119.914 -0.121 0.000 2.427 447 V HA -0.270 3.849 4.120 -0.001 0.000 0.248 447 V C 1.592 177.505 176.094 -0.302 0.000 1.051 447 V CA 1.591 63.677 62.300 -0.357 0.000 1.048 447 V CB -0.650 30.985 31.823 -0.312 0.000 0.666 447 V HN 0.204 nan 8.190 nan 0.000 0.456 448 F N 0.476 120.309 119.950 -0.196 0.000 2.732 448 F HA 0.413 4.939 4.527 -0.001 0.000 0.303 448 F C 1.794 177.512 175.800 -0.137 0.000 1.110 448 F CA 0.555 58.466 58.000 -0.148 0.000 1.355 448 F CB -0.302 38.596 39.000 -0.171 0.000 1.081 448 F HN 0.254 nan 8.300 nan 0.000 0.565 449 G N 0.342 109.072 108.800 -0.118 0.000 2.179 449 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.257 449 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.257 449 G C 1.179 175.779 174.900 -0.501 0.000 1.010 449 G CA 0.377 45.327 45.100 -0.249 0.000 0.736 449 G HN 0.280 nan 8.290 nan 0.000 0.513 450 L N -0.223 120.683 121.223 -0.528 0.000 2.127 450 L HA -0.061 4.279 4.340 -0.001 0.000 0.211 450 L C 0.261 176.686 176.870 -0.741 0.000 1.089 450 L CA 2.543 57.004 54.840 -0.631 0.000 0.757 450 L CB -1.883 39.938 42.059 -0.398 0.000 0.899 450 L HN 0.202 nan 8.230 nan 0.000 0.434 451 P HA -0.106 nan 4.420 nan 0.000 0.228 451 P C 1.913 178.936 177.300 -0.461 0.000 1.151 451 P CA 0.829 63.273 63.100 -1.093 0.000 0.770 451 P CB 0.069 31.038 31.700 -1.220 0.000 0.786 452 L N -1.690 119.280 121.223 -0.422 0.000 2.313 452 L HA 0.020 4.360 4.340 -0.001 0.000 0.214 452 L C 1.133 177.878 176.870 -0.208 0.000 1.119 452 L CA 0.406 55.091 54.840 -0.258 0.000 0.809 452 L CB -0.342 41.589 42.059 -0.213 0.000 0.933 452 L HN -0.103 nan 8.230 nan 0.000 0.449 453 V N 1.338 121.085 119.914 -0.278 0.000 2.368 453 V HA 0.098 4.218 4.120 -0.001 0.000 0.266 453 V C 1.355 177.405 176.094 -0.073 0.000 1.045 453 V CA -0.472 61.729 62.300 -0.165 0.000 0.899 453 V CB 0.910 32.611 31.823 -0.203 0.000 1.006 453 V HN 0.178 nan 8.190 nan 0.000 0.470 454 K N 4.239 124.613 120.400 -0.043 0.000 2.074 454 K HA -0.203 4.117 4.320 -0.001 0.000 0.209 454 K C 1.605 178.196 176.600 -0.014 0.000 1.048 454 K CA 1.919 58.197 56.287 -0.016 0.000 0.926 454 K CB -0.080 32.410 32.500 -0.018 0.000 0.713 454 K HN 0.841 nan 8.250 nan 0.000 0.444 455 E N 0.850 121.035 120.200 -0.025 0.000 2.331 455 E HA -0.113 4.236 4.350 -0.001 0.000 0.199 455 E C 1.793 178.368 176.600 -0.041 0.000 1.008 455 E CA 0.548 56.929 56.400 -0.032 0.000 0.843 455 E CB -0.285 29.397 29.700 -0.030 0.000 0.761 455 E HN 0.275 nan 8.360 nan 0.000 0.507 456 L N -0.148 121.062 121.223 -0.022 0.000 2.492 456 L HA 0.070 4.410 4.340 -0.001 0.000 0.223 456 L C -0.154 176.642 176.870 -0.124 0.000 1.132 456 L CA 0.266 55.087 54.840 -0.032 0.000 0.850 456 L CB -0.515 41.601 42.059 0.095 0.000 0.966 456 L HN 0.243 nan 8.230 nan 0.000 0.454 457 N N -1.888 116.771 118.700 -0.068 0.000 2.815 457 N HA -0.208 4.531 4.740 -0.001 0.000 0.248 457 N C -0.709 174.705 175.510 -0.161 0.000 1.110 457 N CA 0.044 53.025 53.050 -0.114 0.000 0.699 457 N CB -1.254 37.137 38.487 -0.160 0.000 1.040 457 N HN 0.242 nan 8.380 nan 0.000 0.555 458 Y N 0.599 120.863 120.300 -0.060 0.000 2.458 458 Y HA 0.411 4.960 4.550 -0.001 0.000 0.322 458 Y C 1.637 177.534 175.900 -0.006 0.000 1.259 458 Y CA -0.143 57.939 58.100 -0.030 0.000 1.302 458 Y CB 0.727 39.138 38.460 -0.082 0.000 1.314 458 Y HN 0.041 nan 8.280 nan 0.000 0.509 459 T N -2.134 112.547 114.554 0.211 0.000 2.824 459 T HA 0.484 4.834 4.350 -0.001 0.000 0.277 459 T C 1.134 175.894 174.700 0.100 0.000 0.975 459 T CA -0.253 61.922 62.100 0.125 0.000 0.966 459 T CB 1.203 70.145 68.868 0.123 0.000 1.054 459 T HN 0.739 nan 8.240 nan 0.000 0.533 460 A N 0.762 123.618 122.820 0.060 0.000 1.933 460 A HA -0.074 4.245 4.320 -0.001 0.000 0.218 460 A C 2.302 179.904 177.584 0.030 0.000 1.175 460 A CA 1.318 53.375 52.037 0.034 0.000 0.628 460 A CB -0.782 18.230 19.000 0.021 0.000 0.814 460 A HN 0.933 nan 8.150 nan 0.000 0.444 461 E N 0.651 120.876 120.200 0.041 0.000 2.150 461 E HA -0.202 4.148 4.350 -0.001 0.000 0.193 461 E C 1.481 178.096 176.600 0.024 0.000 0.985 461 E CA 1.283 57.694 56.400 0.020 0.000 0.814 461 E CB -0.599 29.111 29.700 0.016 0.000 0.752 461 E HN 0.793 nan 8.360 nan 0.000 0.466 462 E N 1.073 121.332 120.200 0.098 0.000 2.152 462 E HA -0.165 4.185 4.350 -0.001 0.000 0.192 462 E C 2.122 178.795 176.600 0.122 0.000 0.983 462 E CA 0.965 57.494 56.400 0.216 0.000 0.818 462 E CB -0.039 29.908 29.700 0.412 0.000 0.758 462 E HN 0.441 nan 8.360 nan 0.000 0.467 463 E N 1.096 121.302 120.200 0.011 0.000 2.106 463 E HA -0.162 4.188 4.350 -0.001 0.000 0.192 463 E C 2.045 178.620 176.600 -0.042 0.000 0.984 463 E CA 0.943 57.299 56.400 -0.073 0.000 0.806 463 E CB -0.048 29.612 29.700 -0.067 0.000 0.750 463 E HN 0.182 nan 8.360 nan 0.000 0.458 464 A N 1.211 124.019 122.820 -0.020 0.000 1.933 464 A HA -0.141 4.179 4.320 -0.001 0.000 0.218 464 A C 2.154 179.717 177.584 -0.035 0.000 1.175 464 A CA 1.299 53.316 52.037 -0.033 0.000 0.628 464 A CB -0.621 18.362 19.000 -0.029 0.000 0.814 464 A HN 0.411 nan 8.150 nan 0.000 0.444 465 L N -0.410 120.810 121.223 -0.005 0.000 2.056 465 L HA -0.057 4.283 4.340 -0.001 0.000 0.207 465 L C 2.524 179.429 176.870 0.059 0.000 1.078 465 L CA 2.540 57.374 54.840 -0.010 0.000 0.749 465 L CB -0.824 41.189 42.059 -0.077 0.000 0.901 465 L HN 0.314 nan 8.230 nan 0.000 0.433 466 S N -0.652 115.143 115.700 0.157 0.000 2.356 466 S HA -0.196 4.274 4.470 -0.001 0.000 0.223 466 S C 2.189 176.758 174.600 -0.051 0.000 1.032 466 S CA 1.335 59.592 58.200 0.094 0.000 1.005 466 S CB -0.211 62.928 63.200 -0.101 0.000 0.867 466 S HN 0.533 nan 8.310 nan 0.000 0.449 467 R N 0.282 120.741 120.500 -0.069 0.000 2.081 467 R HA 0.017 4.356 4.340 -0.001 0.000 0.235 467 R C 2.773 179.012 176.300 -0.102 0.000 1.131 467 R CA 1.435 57.484 56.100 -0.084 0.000 0.960 467 R CB -0.282 29.966 30.300 -0.087 0.000 0.856 467 R HN 0.356 nan 8.270 nan 0.000 0.436 468 R N 0.458 120.871 120.500 -0.146 0.000 2.073 468 R HA -0.095 4.245 4.340 -0.001 0.000 0.234 468 R C 2.314 178.384 176.300 -0.383 0.000 1.134 468 R CA 1.502 57.420 56.100 -0.303 0.000 0.952 468 R CB -0.286 29.836 30.300 -0.298 0.000 0.850 468 R HN 0.212 nan 8.270 nan 0.000 0.433 469 I N 0.346 120.810 120.570 -0.177 0.000 2.179 469 I HA -0.320 3.850 4.170 -0.001 0.000 0.242 469 I C 2.452 178.504 176.117 -0.108 0.000 1.088 469 I CA 1.361 62.597 61.300 -0.107 0.000 1.357 469 I CB -0.178 37.635 38.000 -0.312 0.000 1.051 469 I HN 0.248 nan 8.210 nan 0.000 0.409 470 M N -0.581 118.935 119.600 -0.141 0.000 2.149 470 M HA -0.264 4.216 4.480 -0.001 0.000 0.261 470 M C 2.414 178.775 176.300 0.102 0.000 1.064 470 M CA 1.766 57.021 55.300 -0.075 0.000 1.102 470 M CB -0.708 31.845 32.600 -0.078 0.000 1.369 470 M HN 0.279 nan 8.290 nan 0.000 0.408 471 H N -0.448 118.612 119.070 -0.018 0.000 2.428 471 H HA -0.123 4.433 4.556 -0.001 0.000 0.296 471 H C 1.519 176.961 175.328 0.189 0.000 1.062 471 H CA 1.734 57.797 56.048 0.025 0.000 1.350 471 H CB 0.028 29.752 29.762 -0.063 0.000 1.403 471 H HN 0.263 nan 8.280 nan 0.000 0.533 472 Y N -0.717 119.735 120.300 0.253 0.000 2.114 472 Y HA -0.256 4.294 4.550 -0.001 0.000 0.284 472 Y C 2.571 178.663 175.900 0.320 0.000 1.143 472 Y CA 1.135 59.429 58.100 0.323 0.000 1.135 472 Y CB -1.150 37.715 38.460 0.675 0.000 0.980 472 Y HN 0.341 nan 8.280 nan 0.000 0.499 473 W N -0.367 121.039 121.300 0.176 0.000 2.317 473 W HA -0.285 4.375 4.660 -0.001 0.000 0.318 473 W C 2.622 179.137 176.519 -0.006 0.000 1.227 473 W CA 1.249 58.621 57.345 0.045 0.000 1.269 473 W CB -0.605 28.823 29.460 -0.053 0.000 1.155 473 W HN 0.079 nan 8.180 nan 0.000 0.484 474 A N -0.014 122.916 122.820 0.184 0.000 1.902 474 A HA -0.170 4.149 4.320 -0.001 0.000 0.217 474 A C 1.810 179.376 177.584 -0.032 0.000 1.181 474 A CA 2.300 54.358 52.037 0.035 0.000 0.623 474 A CB -1.221 17.794 19.000 0.025 0.000 0.818 474 A HN 0.230 nan 8.150 nan 0.000 0.443 475 T N -0.784 113.712 114.554 -0.097 0.000 2.788 475 T HA -0.115 4.234 4.350 -0.001 0.000 0.268 475 T C 1.596 176.242 174.700 -0.089 0.000 1.044 475 T CA 1.517 63.524 62.100 -0.156 0.000 1.139 475 T CB -0.376 68.335 68.868 -0.261 0.000 0.867 475 T HN 0.512 nan 8.240 nan 0.000 0.454 476 F N 2.296 122.139 119.950 -0.179 0.000 2.146 476 F HA 0.064 4.591 4.527 -0.001 0.000 0.298 476 F C 2.407 178.111 175.800 -0.160 0.000 1.096 476 F CA 0.885 58.743 58.000 -0.237 0.000 1.275 476 F CB -0.633 38.160 39.000 -0.345 0.000 1.008 476 F HN 0.133 nan 8.300 nan 0.000 0.480 477 A N 0.335 123.065 122.820 -0.150 0.000 1.902 477 A HA -0.238 4.081 4.320 -0.001 0.000 0.217 477 A C 2.334 179.785 177.584 -0.222 0.000 1.181 477 A CA 1.942 53.858 52.037 -0.201 0.000 0.623 477 A CB -0.837 18.122 19.000 -0.069 0.000 0.818 477 A HN 0.503 nan 8.150 nan 0.000 0.443 478 K N -0.941 119.360 120.400 -0.165 0.000 2.116 478 K HA -0.094 4.226 4.320 -0.001 0.000 0.203 478 K C 1.727 178.236 176.600 -0.152 0.000 1.052 478 K CA 1.806 58.017 56.287 -0.126 0.000 0.952 478 K CB -0.035 32.416 32.500 -0.081 0.000 0.729 478 K HN 0.619 nan 8.250 nan 0.000 0.446 479 T N -5.233 109.200 114.554 -0.202 0.000 2.958 479 T HA 0.253 4.603 4.350 -0.001 0.000 0.256 479 T C 1.096 175.649 174.700 -0.244 0.000 0.983 479 T CA 0.443 62.435 62.100 -0.178 0.000 0.924 479 T CB 0.940 69.735 68.868 -0.123 0.000 1.136 479 T HN 0.272 nan 8.240 nan 0.000 0.506 480 G N 1.582 110.104 108.800 -0.463 0.000 2.141 480 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.231 480 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.231 480 G C -0.225 174.554 174.900 -0.202 0.000 0.984 480 G CA 0.003 44.753 45.100 -0.584 0.000 0.660 480 G HN 0.834 nan 8.290 nan 0.000 0.525 481 N N -0.214 118.375 118.700 -0.184 0.000 2.478 481 N HA 0.407 5.146 4.740 -0.001 0.000 0.291 481 N C -1.648 173.703 175.510 -0.265 0.000 1.090 481 N CA -1.359 51.557 53.050 -0.224 0.000 0.911 481 N CB 2.486 40.920 38.487 -0.088 0.000 1.546 481 N HN -0.060 nan 8.380 nan 0.000 0.500 482 P HA -0.056 nan 4.420 nan 0.000 0.226 482 P C -0.358 176.954 177.300 0.021 0.000 1.153 482 P CA 0.670 63.624 63.100 -0.245 0.000 0.777 482 P CB 0.385 31.710 31.700 -0.625 0.000 0.794 483 N N 1.290 119.966 118.700 -0.040 0.000 2.524 483 N HA 0.099 4.839 4.740 -0.001 0.000 0.283 483 N C 0.382 175.931 175.510 0.065 0.000 1.142 483 N CA -0.135 52.980 53.050 0.108 0.000 0.984 483 N CB 0.965 39.518 38.487 0.111 0.000 1.155 483 N HN 0.063 nan 8.380 nan 0.000 0.467 484 E N 1.999 122.270 120.200 0.117 0.000 2.354 484 E HA 0.162 4.512 4.350 -0.001 0.000 0.269 484 E C -1.955 174.670 176.600 0.041 0.000 1.036 484 E CA -1.321 55.136 56.400 0.093 0.000 0.876 484 E CB 0.574 30.371 29.700 0.161 0.000 1.009 484 E HN 0.348 nan 8.360 nan 0.000 0.416 485 P HA -0.002 nan 4.420 nan 0.000 0.271 485 P C -0.606 176.674 177.300 -0.034 0.000 1.233 485 P CA 0.154 63.186 63.100 -0.113 0.000 0.764 485 P CB 0.307 31.960 31.700 -0.078 0.000 0.825 486 H N -1.314 117.792 119.070 0.059 0.000 2.677 486 H HA -0.130 4.426 4.556 -0.001 0.000 0.321 486 H C 0.442 175.806 175.328 0.060 0.000 1.171 486 H CA 0.929 57.010 56.048 0.055 0.000 1.139 486 H CB -1.854 27.934 29.762 0.043 0.000 1.515 486 H HN 0.501 nan 8.280 nan 0.000 0.423 487 S N -0.581 115.205 115.700 0.142 0.000 2.730 487 S HA 0.333 4.803 4.470 -0.001 0.000 0.284 487 S C 1.271 175.938 174.600 0.112 0.000 1.153 487 S CA -0.547 57.727 58.200 0.123 0.000 0.995 487 S CB 1.520 64.795 63.200 0.125 0.000 1.058 487 S HN 0.330 nan 8.310 nan 0.000 0.552 488 Q N 0.371 120.227 119.800 0.094 0.000 2.352 488 Q HA 0.280 4.620 4.340 -0.001 0.000 0.212 488 Q C -0.131 175.919 176.000 0.083 0.000 0.888 488 Q CA 0.231 56.082 55.803 0.080 0.000 0.934 488 Q CB 0.045 28.819 28.738 0.061 0.000 1.093 488 Q HN 0.635 nan 8.270 nan 0.000 0.523 489 E N 1.416 121.675 120.200 0.098 0.000 2.409 489 E HA 0.118 4.467 4.350 -0.001 0.000 0.257 489 E C -0.095 176.583 176.600 0.129 0.000 1.150 489 E CA 0.043 56.509 56.400 0.110 0.000 0.942 489 E CB 0.551 30.332 29.700 0.135 0.000 0.979 489 E HN -0.058 nan 8.360 nan 0.000 0.447 490 S N 0.808 116.587 115.700 0.132 0.000 2.562 490 S HA 0.051 4.520 4.470 -0.001 0.000 0.281 490 S C 0.169 174.882 174.600 0.189 0.000 1.333 490 S CA -0.420 57.859 58.200 0.133 0.000 1.052 490 S CB 0.514 63.779 63.200 0.108 0.000 0.884 490 S HN 0.191 nan 8.310 nan 0.000 0.506 491 K N 2.187 122.691 120.400 0.173 0.000 2.201 491 K HA 0.159 4.478 4.320 -0.001 0.000 0.278 491 K C -0.505 176.263 176.600 0.280 0.000 1.027 491 K CA -0.691 55.730 56.287 0.222 0.000 0.909 491 K CB 0.715 33.322 32.500 0.180 0.000 1.062 491 K HN 0.690 nan 8.250 nan 0.000 0.465 492 W N 7.376 128.734 121.300 0.097 0.000 2.481 492 W HA 0.229 4.889 4.660 -0.001 0.000 0.320 492 W C -2.453 174.188 176.519 0.202 0.000 1.209 492 W CA -2.962 54.437 57.345 0.090 0.000 1.400 492 W CB -0.162 29.262 29.460 -0.060 0.000 1.361 492 W HN 0.490 nan 8.180 nan 0.000 0.456 493 P HA -0.019 nan 4.420 nan 0.000 0.272 493 P C -0.397 177.095 177.300 0.321 0.000 1.223 493 P CA -0.373 62.935 63.100 0.347 0.000 0.784 493 P CB 1.479 33.304 31.700 0.208 0.000 0.923 494 L N 3.453 124.729 121.223 0.089 0.000 2.461 494 L HA 0.239 4.579 4.340 -0.001 0.000 0.272 494 L C -0.162 176.679 176.870 -0.049 0.000 1.197 494 L CA -0.270 54.420 54.840 -0.250 0.000 0.836 494 L CB -0.546 41.380 42.059 -0.222 0.000 1.105 494 L HN 0.234 nan 8.230 nan 0.000 0.477 495 F N 4.174 123.999 119.950 -0.209 0.000 2.421 495 F HA 0.470 4.997 4.527 -0.001 0.000 0.358 495 F C 0.208 175.971 175.800 -0.061 0.000 1.115 495 F CA -0.305 57.671 58.000 -0.039 0.000 1.160 495 F CB 0.473 39.480 39.000 0.011 0.000 1.123 495 F HN 0.645 nan 8.300 nan 0.000 0.508 496 T N 1.157 115.465 114.554 -0.410 0.000 2.918 496 T HA 0.188 4.537 4.350 -0.001 0.000 0.286 496 T C 1.036 175.480 174.700 -0.425 0.000 1.026 496 T CA -0.065 61.876 62.100 -0.264 0.000 1.031 496 T CB 1.514 70.280 68.868 -0.171 0.000 1.046 496 T HN 0.666 nan 8.240 nan 0.000 0.479 497 T N 0.116 114.570 114.554 -0.166 0.000 2.803 497 T HA -0.125 4.225 4.350 -0.001 0.000 0.269 497 T C 2.068 176.681 174.700 -0.146 0.000 1.052 497 T CA 2.541 64.576 62.100 -0.108 0.000 1.136 497 T CB -0.990 67.852 68.868 -0.044 0.000 0.864 497 T HN 0.879 nan 8.240 nan 0.000 0.467 498 K N 0.906 121.216 120.400 -0.150 0.000 2.044 498 K HA 0.176 4.495 4.320 -0.001 0.000 0.204 498 K C 2.085 178.605 176.600 -0.134 0.000 1.045 498 K CA 1.352 57.571 56.287 -0.114 0.000 0.951 498 K CB -0.733 31.717 32.500 -0.084 0.000 0.738 498 K HN 0.723 nan 8.250 nan 0.000 0.443 499 E N -0.048 120.045 120.200 -0.178 0.000 2.400 499 E HA -0.001 4.349 4.350 -0.001 0.000 0.195 499 E C -0.241 176.229 176.600 -0.217 0.000 1.012 499 E CA 0.018 56.326 56.400 -0.154 0.000 0.875 499 E CB 0.353 29.985 29.700 -0.113 0.000 0.859 499 E HN 0.543 nan 8.360 nan 0.000 0.498 500 Q N 1.099 120.602 119.800 -0.494 0.000 2.435 500 Q HA -0.217 4.123 4.340 -0.001 0.000 0.312 500 Q C -0.767 175.137 176.000 -0.159 0.000 1.333 500 Q CA 0.641 55.989 55.803 -0.759 0.000 0.883 500 Q CB -1.310 27.267 28.738 -0.268 0.000 1.170 500 Q HN 0.190 nan 8.270 nan 0.000 0.443 501 K N 0.464 120.809 120.400 -0.092 0.000 2.258 501 K HA 0.546 4.865 4.320 -0.001 0.000 0.264 501 K C 0.011 176.907 176.600 0.495 0.000 1.007 501 K CA 0.139 56.520 56.287 0.157 0.000 0.941 501 K CB 0.473 33.015 32.500 0.070 0.000 0.966 501 K HN 0.234 nan 8.250 nan 0.000 0.480 502 F N -0.271 119.852 119.950 0.288 0.000 2.741 502 F HA 0.575 5.101 4.527 -0.001 0.000 0.313 502 F C -1.239 174.687 175.800 0.210 0.000 1.153 502 F CA -1.462 56.750 58.000 0.355 0.000 0.931 502 F CB 0.758 39.980 39.000 0.370 0.000 1.335 502 F HN 0.426 nan 8.300 nan 0.000 0.460 503 I N -0.718 120.009 120.570 0.262 0.000 2.957 503 I HA 0.682 4.852 4.170 -0.001 0.000 0.310 503 I C -1.169 175.116 176.117 0.280 0.000 1.063 503 I CA -0.862 60.422 61.300 -0.026 0.000 1.033 503 I CB 2.064 39.822 38.000 -0.403 0.000 1.230 503 I HN 0.478 nan 8.210 nan 0.000 0.447 504 D N 2.653 123.187 120.400 0.223 0.000 2.340 504 D HA 0.542 5.181 4.640 -0.001 0.000 0.251 504 D C -0.950 175.441 176.300 0.151 0.000 1.080 504 D CA 0.001 54.214 54.000 0.355 0.000 0.971 504 D CB 2.136 43.144 40.800 0.347 0.000 1.137 504 D HN 0.256 nan 8.370 nan 0.000 0.475 505 L N 2.427 123.733 121.223 0.137 0.000 2.388 505 L HA 0.290 4.630 4.340 -0.001 0.000 0.267 505 L C -0.714 176.049 176.870 -0.178 0.000 0.995 505 L CA -0.393 54.469 54.840 0.037 0.000 0.864 505 L CB 0.203 42.383 42.059 0.202 0.000 1.216 505 L HN 0.502 nan 8.230 nan 0.000 0.430 506 N N -0.841 117.768 118.700 -0.152 0.000 3.364 506 N HA 0.299 5.038 4.740 -0.001 0.000 0.294 506 N C 0.418 175.803 175.510 -0.207 0.000 1.562 506 N CA -0.108 52.794 53.050 -0.246 0.000 0.862 506 N CB 0.417 38.833 38.487 -0.119 0.000 1.691 506 N HN 0.048 nan 8.380 nan 0.000 0.572 507 T N -3.861 110.550 114.554 -0.238 0.000 3.113 507 T HA 0.133 4.482 4.350 -0.001 0.000 0.256 507 T C 0.091 174.758 174.700 -0.055 0.000 1.131 507 T CA 0.297 62.301 62.100 -0.160 0.000 1.074 507 T CB -0.413 68.356 68.868 -0.165 0.000 0.944 507 T HN 0.394 nan 8.240 nan 0.000 0.516 508 E N 1.903 122.088 120.200 -0.025 0.000 2.312 508 E HA 0.416 4.765 4.350 -0.001 0.000 0.259 508 E C -2.607 173.996 176.600 0.005 0.000 1.122 508 E CA -1.797 54.606 56.400 0.005 0.000 0.922 508 E CB 0.257 29.973 29.700 0.027 0.000 1.109 508 E HN 0.401 nan 8.360 nan 0.000 0.442 509 P HA 0.020 nan 4.420 nan 0.000 0.266 509 P C 0.065 177.371 177.300 0.009 0.000 1.195 509 P CA 0.213 63.321 63.100 0.013 0.000 0.768 509 P CB 0.254 31.962 31.700 0.013 0.000 0.838 510 M N 2.697 122.305 119.600 0.013 0.000 2.235 510 M HA -0.007 4.473 4.480 -0.001 0.000 0.336 510 M C -0.491 175.778 176.300 -0.051 0.000 1.146 510 M CA 1.117 56.414 55.300 -0.006 0.000 1.018 510 M CB 0.157 32.768 32.600 0.018 0.000 1.694 510 M HN 0.027 nan 8.290 nan 0.000 0.451 511 K N 3.733 124.067 120.400 -0.111 0.000 2.427 511 K HA 0.613 4.933 4.320 -0.001 0.000 0.252 511 K C -1.370 174.943 176.600 -0.479 0.000 0.931 511 K CA -0.867 55.267 56.287 -0.254 0.000 0.793 511 K CB 2.210 34.578 32.500 -0.220 0.000 1.211 511 K HN 0.619 nan 8.250 nan 0.000 0.426 512 V N 3.811 123.420 119.914 -0.507 0.000 2.472 512 V HA 0.500 4.619 4.120 -0.001 0.000 0.290 512 V C -0.052 175.572 176.094 -0.783 0.000 1.037 512 V CA -0.567 61.428 62.300 -0.508 0.000 0.908 512 V CB 1.079 32.766 31.823 -0.227 0.000 0.985 512 V HN 0.813 nan 8.190 nan 0.000 0.454 513 H N 2.987 121.701 119.070 -0.593 0.000 2.869 513 H HA 0.668 5.224 4.556 -0.001 0.000 0.342 513 H C -1.021 174.008 175.328 -0.498 0.000 1.250 513 H CA -0.826 54.824 56.048 -0.663 0.000 1.217 513 H CB 2.192 31.300 29.762 -1.090 0.000 1.917 513 H HN 0.566 nan 8.280 nan 0.000 0.586 514 Q N 0.160 119.964 119.800 0.007 0.000 2.421 514 Q HA 0.363 4.702 4.340 -0.001 0.000 0.280 514 Q C -0.678 175.537 176.000 0.358 0.000 1.085 514 Q CA -0.905 55.015 55.803 0.195 0.000 0.807 514 Q CB 2.889 31.673 28.738 0.077 0.000 1.405 514 Q HN 0.469 nan 8.270 nan 0.000 0.419 515 R N 0.957 121.669 120.500 0.352 0.000 3.146 515 R HA -0.211 4.129 4.340 -0.001 0.000 0.250 515 R C -0.569 175.884 176.300 0.255 0.000 0.912 515 R CA -0.116 56.145 56.100 0.269 0.000 0.633 515 R CB -1.533 28.865 30.300 0.163 0.000 1.180 515 R HN 0.466 nan 8.270 nan 0.000 0.464 516 L N 2.219 123.558 121.223 0.193 0.000 2.700 516 L HA -0.062 4.277 4.340 -0.001 0.000 0.276 516 L C 0.864 177.710 176.870 -0.040 0.000 1.200 516 L CA 0.859 55.599 54.840 -0.167 0.000 0.951 516 L CB -0.135 41.476 42.059 -0.746 0.000 1.226 516 L HN 0.449 nan 8.230 nan 0.000 0.489 517 R N 2.247 122.735 120.500 -0.020 0.000 3.387 517 R HA -0.222 4.117 4.340 -0.001 0.000 0.254 517 R C 1.209 177.575 176.300 0.108 0.000 1.006 517 R CA 0.662 56.793 56.100 0.052 0.000 0.677 517 R CB -2.026 28.323 30.300 0.082 0.000 1.063 517 R HN 0.681 nan 8.270 nan 0.000 0.453 518 V N 0.367 120.343 119.914 0.105 0.000 2.407 518 V HA -0.331 3.789 4.120 -0.001 0.000 0.248 518 V C 2.353 178.520 176.094 0.121 0.000 1.055 518 V CA 2.589 64.962 62.300 0.123 0.000 1.049 518 V CB -0.055 31.836 31.823 0.113 0.000 0.662 518 V HN 0.467 nan 8.190 nan 0.000 0.455 519 Q N -0.618 119.236 119.800 0.090 0.000 2.030 519 Q HA -0.207 4.133 4.340 -0.001 0.000 0.204 519 Q C 2.107 178.163 176.000 0.093 0.000 0.986 519 Q CA 2.535 58.376 55.803 0.062 0.000 0.843 519 Q CB -0.360 28.387 28.738 0.015 0.000 0.904 519 Q HN 0.539 nan 8.270 nan 0.000 0.420 520 M N -1.154 118.524 119.600 0.131 0.000 2.254 520 M HA -0.101 4.379 4.480 -0.001 0.000 0.265 520 M C 2.325 178.902 176.300 0.461 0.000 1.066 520 M CA 0.820 56.265 55.300 0.242 0.000 1.123 520 M CB -1.162 31.642 32.600 0.339 0.000 1.388 520 M HN 0.314 nan 8.290 nan 0.000 0.425 521 c N -0.301 118.525 118.600 0.377 0.000 2.448 521 c HA -0.013 4.556 4.570 -0.001 0.000 0.280 521 c C 2.910 177.185 174.090 0.309 0.000 1.398 521 c CA 0.213 56.775 56.329 0.388 0.000 1.774 521 c CB -0.883 41.789 42.510 0.269 0.000 1.888 521 c HN 0.312 nan 8.230 nan 0.000 0.519 522 V N 0.420 120.480 119.914 0.243 0.000 2.548 522 V HA -0.187 3.933 4.120 -0.001 0.000 0.249 522 V C 2.000 178.218 176.094 0.207 0.000 1.055 522 V CA 1.939 64.353 62.300 0.190 0.000 1.065 522 V CB -0.738 31.170 31.823 0.141 0.000 0.681 522 V HN 0.576 nan 8.190 nan 0.000 0.462 523 F N -0.017 119.978 119.950 0.075 0.000 2.084 523 F HA -0.148 4.378 4.527 -0.001 0.000 0.296 523 F C 1.966 177.775 175.800 0.015 0.000 1.111 523 F CA 1.581 59.579 58.000 -0.003 0.000 1.224 523 F CB -0.383 38.491 39.000 -0.210 0.000 0.991 523 F HN 0.161 nan 8.300 nan 0.000 0.471 524 W N 0.580 121.959 121.300 0.131 0.000 2.436 524 W HA -0.081 4.578 4.660 -0.001 0.000 0.284 524 W C 1.988 178.480 176.519 -0.045 0.000 1.225 524 W CA 0.729 58.082 57.345 0.014 0.000 1.271 524 W CB -0.376 29.225 29.460 0.234 0.000 1.114 524 W HN -0.015 nan 8.180 nan 0.000 0.559 525 N N -0.797 118.023 118.700 0.200 0.000 2.415 525 N HA -0.005 4.735 4.740 -0.001 0.000 0.174 525 N C 1.369 176.876 175.510 -0.004 0.000 1.048 525 N CA 0.881 53.961 53.050 0.049 0.000 0.895 525 N CB -0.001 38.526 38.487 0.065 0.000 1.036 525 N HN 0.362 nan 8.380 nan 0.000 0.449 526 Q N -1.083 118.738 119.800 0.034 0.000 2.644 526 Q HA 0.201 4.540 4.340 -0.001 0.000 0.220 526 Q C 1.243 177.250 176.000 0.011 0.000 0.866 526 Q CA -0.099 55.724 55.803 0.035 0.000 0.915 526 Q CB 0.054 28.847 28.738 0.091 0.000 1.191 526 Q HN 0.102 nan 8.270 nan 0.000 0.641 527 F N 1.959 121.825 119.950 -0.139 0.000 2.060 527 F HA -0.176 4.351 4.527 -0.001 0.000 0.295 527 F C 2.008 177.636 175.800 -0.286 0.000 1.120 527 F CA 1.028 58.919 58.000 -0.182 0.000 1.205 527 F CB -0.366 38.550 39.000 -0.139 0.000 0.986 527 F HN 0.041 nan 8.300 nan 0.000 0.470 528 L N 1.207 122.053 121.223 -0.629 0.000 2.013 528 L HA -0.141 4.199 4.340 -0.001 0.000 0.212 528 L C -0.850 175.763 176.870 -0.429 0.000 1.073 528 L CA 2.338 56.760 54.840 -0.698 0.000 0.753 528 L CB -1.961 39.599 42.059 -0.832 0.000 0.890 528 L HN 0.033 nan 8.230 nan 0.000 0.432 529 P HA -0.203 nan 4.420 nan 0.000 0.215 529 P C 1.493 178.678 177.300 -0.192 0.000 1.153 529 P CA 1.604 64.610 63.100 -0.156 0.000 0.853 529 P CB -0.057 31.583 31.700 -0.101 0.000 0.788 530 K N -0.311 119.940 120.400 -0.248 0.000 2.097 530 K HA -0.116 4.204 4.320 -0.001 0.000 0.205 530 K C 2.008 178.425 176.600 -0.306 0.000 1.050 530 K CA 0.905 57.053 56.287 -0.232 0.000 0.938 530 K CB -0.648 31.730 32.500 -0.204 0.000 0.718 530 K HN 0.070 nan 8.250 nan 0.000 0.442 531 L N 0.833 121.750 121.223 -0.509 0.000 2.027 531 L HA -0.128 4.212 4.340 -0.001 0.000 0.206 531 L C 2.015 178.726 176.870 -0.265 0.000 1.074 531 L CA 1.109 55.664 54.840 -0.474 0.000 0.745 531 L CB -0.148 41.476 42.059 -0.726 0.000 0.898 531 L HN 0.213 nan 8.230 nan 0.000 0.433 532 L N 0.267 121.348 121.223 -0.236 0.000 2.131 532 L HA -0.233 4.107 4.340 -0.001 0.000 0.210 532 L C 2.452 179.263 176.870 -0.099 0.000 1.092 532 L CA 1.395 56.149 54.840 -0.143 0.000 0.759 532 L CB -0.807 41.188 42.059 -0.106 0.000 0.903 532 L HN 0.497 nan 8.230 nan 0.000 0.435 533 N N 0.675 119.312 118.700 -0.105 0.000 2.300 533 N HA -0.099 4.640 4.740 -0.001 0.000 0.179 533 N C 1.657 177.126 175.510 -0.067 0.000 1.016 533 N CA 1.179 54.186 53.050 -0.071 0.000 0.876 533 N CB 0.245 38.692 38.487 -0.068 0.000 0.979 533 N HN 0.264 nan 8.380 nan 0.000 0.432 534 A N 0.126 122.893 122.820 -0.089 0.000 2.235 534 A HA 0.079 4.398 4.320 -0.001 0.000 0.208 534 A C 0.975 178.525 177.584 -0.058 0.000 1.172 534 A CA 0.919 52.914 52.037 -0.070 0.000 0.786 534 A CB -0.309 18.642 19.000 -0.082 0.000 0.804 534 A HN 0.548 nan 8.150 nan 0.000 0.479 535 T N 0.000 114.516 114.554 -0.063 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.071 62.100 -0.049 0.000 1.349 535 T CB 0.000 68.834 68.868 -0.056 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658