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 1qim_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 0.000 174.643 174.600 0.072 0.000 1.055 4 S CA 0.000 58.228 58.200 0.047 0.000 1.107 4 S CB 0.000 63.225 63.200 0.042 0.000 0.593 5 E N 2.815 123.059 120.200 0.075 0.000 2.204 5 E HA -0.050 4.300 4.350 -0.001 0.000 0.195 5 E C 1.029 177.726 176.600 0.162 0.000 0.990 5 E CA 1.175 57.642 56.400 0.112 0.000 0.821 5 E CB -0.038 29.720 29.700 0.096 0.000 0.750 5 E HN 0.728 nan 8.360 nan 0.000 0.477 6 L N 0.871 122.154 121.223 0.100 0.000 2.592 6 L HA 0.150 4.490 4.340 -0.001 0.000 0.227 6 L C 0.138 177.119 176.870 0.185 0.000 1.127 6 L CA -0.376 54.498 54.840 0.057 0.000 0.884 6 L CB 0.367 42.391 42.059 -0.058 0.000 1.065 6 L HN 0.139 nan 8.230 nan 0.000 0.457 7 L N 0.568 121.914 121.223 0.205 0.000 2.305 7 L HA 0.559 4.899 4.340 -0.001 0.000 0.284 7 L C -0.643 176.333 176.870 0.177 0.000 1.013 7 L CA -0.319 54.646 54.840 0.209 0.000 0.819 7 L CB 1.632 43.762 42.059 0.118 0.000 1.227 7 L HN -0.326 nan 8.230 nan 0.000 0.417 8 V N 4.670 124.683 119.914 0.166 0.000 2.656 8 V HA 0.499 4.619 4.120 -0.001 0.000 0.307 8 V C -0.426 175.598 176.094 -0.117 0.000 1.051 8 V CA -0.822 61.412 62.300 -0.109 0.000 0.893 8 V CB 2.014 33.494 31.823 -0.571 0.000 0.999 8 V HN 0.736 nan 8.190 nan 0.000 0.426 9 N N 2.978 121.540 118.700 -0.230 0.000 2.699 9 N HA 0.273 5.013 4.740 -0.001 0.000 0.232 9 N C 0.016 175.211 175.510 -0.525 0.000 1.027 9 N CA -0.071 52.812 53.050 -0.278 0.000 0.920 9 N CB 1.495 39.822 38.487 -0.266 0.000 1.148 9 N HN 0.942 nan 8.380 nan 0.000 0.509 10 T N -0.540 113.806 114.554 -0.348 0.000 2.824 10 T HA 0.291 4.641 4.350 -0.001 0.000 0.277 10 T C 1.270 175.705 174.700 -0.441 0.000 0.975 10 T CA -0.335 61.530 62.100 -0.392 0.000 0.966 10 T CB 1.320 70.197 68.868 0.014 0.000 1.054 10 T HN 0.270 nan 8.240 nan 0.000 0.533 11 K N 0.114 120.289 120.400 -0.374 0.000 2.439 11 K HA 0.061 4.381 4.320 -0.001 0.000 0.197 11 K C 1.875 178.326 176.600 -0.248 0.000 1.041 11 K CA 0.480 56.598 56.287 -0.281 0.000 0.970 11 K CB 0.007 32.407 32.500 -0.167 0.000 0.773 11 K HN 0.404 nan 8.250 nan 0.000 0.479 12 S N -0.145 115.400 115.700 -0.259 0.000 2.524 12 S HA 0.194 4.664 4.470 -0.001 0.000 0.215 12 S C 0.397 174.244 174.600 -1.255 0.000 0.986 12 S CA 0.265 58.194 58.200 -0.451 0.000 0.911 12 S CB 0.939 64.112 63.200 -0.045 0.000 0.805 12 S HN 0.558 nan 8.310 nan 0.000 0.501 13 G N 1.063 109.309 108.800 -0.923 0.000 2.361 13 G HA2 0.088 4.048 3.960 -0.001 0.000 0.331 13 G HA3 0.088 4.048 3.960 -0.001 0.000 0.331 13 G C -1.755 172.992 174.900 -0.254 0.000 1.324 13 G CA -1.128 43.384 45.100 -0.981 0.000 0.984 13 G HN 0.113 nan 8.290 nan 0.000 0.586 14 K N -0.569 119.887 120.400 0.093 0.000 2.144 14 K HA 0.641 4.960 4.320 -0.001 0.000 0.270 14 K C 0.085 177.034 176.600 0.582 0.000 1.005 14 K CA -0.489 55.959 56.287 0.268 0.000 0.932 14 K CB 1.931 34.544 32.500 0.189 0.000 1.021 14 K HN 1.123 nan 8.250 nan 0.000 0.462 15 V N -0.324 119.875 119.914 0.475 0.000 2.686 15 V HA 0.483 4.602 4.120 -0.001 0.000 0.306 15 V C -0.885 175.502 176.094 0.488 0.000 1.065 15 V CA -1.139 61.505 62.300 0.574 0.000 0.894 15 V CB 1.617 33.839 31.823 0.665 0.000 1.004 15 V HN 0.762 nan 8.190 nan 0.000 0.424 16 M N 5.060 124.890 119.600 0.384 0.000 2.055 16 M HA 0.772 5.252 4.480 -0.001 0.000 0.347 16 M C 0.413 176.793 176.300 0.133 0.000 1.123 16 M CA 0.317 55.754 55.300 0.228 0.000 1.035 16 M CB 0.321 32.993 32.600 0.119 0.000 1.484 16 M HN 1.111 nan 8.290 nan 0.000 0.428 17 G N 1.889 110.645 108.800 -0.072 0.000 2.525 17 G HA2 0.575 4.534 3.960 -0.001 0.000 0.287 17 G HA3 0.575 4.534 3.960 -0.001 0.000 0.287 17 G C -0.951 173.734 174.900 -0.359 0.000 1.350 17 G CA -0.397 44.377 45.100 -0.544 0.000 1.039 17 G HN 0.641 nan 8.290 nan 0.000 0.513 18 T N -1.828 112.498 114.554 -0.381 0.000 2.909 18 T HA 0.522 4.872 4.350 -0.001 0.000 0.299 18 T C -0.422 174.169 174.700 -0.181 0.000 1.073 18 T CA -0.750 61.219 62.100 -0.218 0.000 0.999 18 T CB 1.447 70.219 68.868 -0.160 0.000 1.098 18 T HN 0.656 nan 8.240 nan 0.000 0.477 19 R N 2.949 123.385 120.500 -0.106 0.000 2.308 19 R HA 0.638 4.978 4.340 -0.001 0.000 0.305 19 R C -0.454 175.854 176.300 0.014 0.000 1.053 19 R CA -0.512 55.564 56.100 -0.040 0.000 0.957 19 R CB 0.444 30.713 30.300 -0.052 0.000 1.022 19 R HN 0.554 nan 8.270 nan 0.000 0.461 20 V N 2.055 122.016 119.914 0.078 0.000 2.769 20 V HA 0.726 4.846 4.120 -0.001 0.000 0.312 20 V C -2.605 173.563 176.094 0.123 0.000 1.061 20 V CA -2.664 59.690 62.300 0.090 0.000 0.931 20 V CB 1.813 33.669 31.823 0.055 0.000 1.010 20 V HN 0.815 nan 8.190 nan 0.000 0.433 21 P HA 0.510 nan 4.420 nan 0.000 0.282 21 P C -1.063 176.058 177.300 -0.300 0.000 1.249 21 P CA -0.355 62.582 63.100 -0.272 0.000 0.806 21 P CB 2.114 33.706 31.700 -0.180 0.000 0.984 22 V N 5.520 125.168 119.914 -0.443 0.000 2.737 22 V HA 0.153 4.272 4.120 -0.001 0.000 0.298 22 V C 0.157 175.953 176.094 -0.497 0.000 1.163 22 V CA -0.813 61.236 62.300 -0.419 0.000 0.925 22 V CB 1.053 32.595 31.823 -0.468 0.000 1.037 22 V HN 0.517 nan 8.190 nan 0.000 0.433 23 L N 6.003 127.092 121.223 -0.223 0.000 3.739 23 L HA -0.200 4.140 4.340 -0.001 0.000 0.442 23 L C 0.860 177.607 176.870 -0.204 0.000 1.241 23 L CA 1.009 55.757 54.840 -0.153 0.000 0.819 23 L CB -1.513 40.502 42.059 -0.073 0.000 1.679 23 L HN 1.588 nan 8.230 nan 0.000 0.889 24 S N -2.474 113.099 115.700 -0.213 0.000 3.711 24 S HA -0.151 4.319 4.470 -0.001 0.000 0.374 24 S C 0.006 174.472 174.600 -0.222 0.000 0.969 24 S CA 1.029 59.119 58.200 -0.183 0.000 1.198 24 S CB -1.223 61.930 63.200 -0.078 0.000 0.903 24 S HN 1.107 nan 8.310 nan 0.000 0.493 25 S N -0.205 115.238 115.700 -0.429 0.000 2.694 25 S HA 0.754 5.223 4.470 -0.001 0.000 0.273 25 S C -1.689 172.517 174.600 -0.657 0.000 1.180 25 S CA -0.590 57.398 58.200 -0.353 0.000 0.864 25 S CB 0.879 63.933 63.200 -0.243 0.000 1.198 25 S HN 0.854 nan 8.310 nan 0.000 0.499 26 H N -0.046 118.978 119.070 -0.076 0.000 2.961 26 H HA 0.807 5.363 4.556 -0.001 0.000 0.371 26 H C -0.492 174.862 175.328 0.044 0.000 1.190 26 H CA -0.235 55.788 56.048 -0.040 0.000 1.138 26 H CB 1.616 31.372 29.762 -0.011 0.000 1.816 26 H HN 0.753 nan 8.280 nan 0.000 0.551 27 I N -2.037 118.641 120.570 0.180 0.000 3.191 27 I HA 0.692 4.861 4.170 -0.001 0.000 0.313 27 I C -0.993 175.231 176.117 0.178 0.000 1.193 27 I CA -0.928 60.497 61.300 0.208 0.000 0.968 27 I CB 2.556 40.704 38.000 0.247 0.000 1.262 27 I HN 0.405 nan 8.210 nan 0.000 0.456 28 S N 1.747 117.562 115.700 0.190 0.000 2.632 28 S HA 0.832 5.302 4.470 -0.001 0.000 0.271 28 S C -0.237 174.420 174.600 0.095 0.000 1.260 28 S CA -0.374 57.880 58.200 0.090 0.000 1.010 28 S CB 1.453 64.749 63.200 0.160 0.000 0.965 28 S HN 0.922 nan 8.310 nan 0.000 0.534 29 A N 1.838 124.561 122.820 -0.162 0.000 2.466 29 A HA 0.651 4.970 4.320 -0.001 0.000 0.284 29 A C -1.413 175.945 177.584 -0.376 0.000 1.049 29 A CA -0.645 51.249 52.037 -0.239 0.000 0.760 29 A CB 0.365 19.227 19.000 -0.229 0.000 1.274 29 A HN 0.591 nan 8.150 nan 0.000 0.412 30 F N 3.290 123.144 119.950 -0.161 0.000 2.293 30 F HA 0.469 4.996 4.527 -0.000 0.000 0.370 30 F C 0.117 175.821 175.800 -0.160 0.000 1.090 30 F CA -0.487 57.490 58.000 -0.038 0.000 1.133 30 F CB 0.920 40.016 39.000 0.159 0.000 1.360 30 F HN 0.380 nan 8.300 nan 0.000 0.489 31 L N 2.085 123.274 121.223 -0.057 0.000 2.343 31 L HA 0.643 4.982 4.340 -0.001 0.000 0.275 31 L C 1.092 177.996 176.870 0.056 0.000 1.056 31 L CA -0.886 53.906 54.840 -0.079 0.000 0.804 31 L CB 1.271 43.204 42.059 -0.210 0.000 1.203 31 L HN 0.820 nan 8.230 nan 0.000 0.440 32 G N 2.907 111.756 108.800 0.081 0.000 2.246 32 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.273 32 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.273 32 G C -0.092 174.870 174.900 0.102 0.000 1.055 32 G CA -0.301 44.837 45.100 0.063 0.000 0.851 32 G HN 0.475 nan 8.290 nan 0.000 0.500 33 I N 1.979 122.557 120.570 0.012 0.000 2.441 33 I HA 0.260 4.430 4.170 -0.001 0.000 0.287 33 I C -1.353 174.582 176.117 -0.303 0.000 1.049 33 I CA -2.114 59.030 61.300 -0.260 0.000 1.381 33 I CB 1.139 38.988 38.000 -0.252 0.000 1.409 33 I HN 0.001 nan 8.210 nan 0.000 0.523 34 P HA 0.132 nan 4.420 nan 0.000 0.282 34 P C -0.450 176.504 177.300 -0.577 0.000 1.249 34 P CA -0.140 62.573 63.100 -0.646 0.000 0.806 34 P CB 0.941 32.174 31.700 -0.779 0.000 0.984 35 F N -0.135 119.502 119.950 -0.522 0.000 2.798 35 F HA 0.752 5.279 4.527 -0.001 0.000 0.328 35 F C -0.180 175.506 175.800 -0.190 0.000 1.098 35 F CA -0.924 56.816 58.000 -0.433 0.000 1.172 35 F CB 0.013 38.745 39.000 -0.447 0.000 1.072 35 F HN 0.392 nan 8.300 nan 0.000 0.555 36 A N 0.014 122.593 122.820 -0.400 0.000 2.609 36 A HA 0.607 4.926 4.320 -0.001 0.000 0.291 36 A C -0.990 176.436 177.584 -0.264 0.000 1.096 36 A CA -0.771 51.142 52.037 -0.206 0.000 0.684 36 A CB 1.071 19.959 19.000 -0.186 0.000 1.282 36 A HN 0.064 nan 8.150 nan 0.000 0.412 37 E N 0.903 121.024 120.200 -0.130 0.000 2.373 37 E HA 0.293 4.643 4.350 -0.001 0.000 0.267 37 E C -2.341 174.168 176.600 -0.153 0.000 1.032 37 E CA -1.387 54.948 56.400 -0.108 0.000 0.889 37 E CB 0.210 29.888 29.700 -0.037 0.000 0.984 37 E HN 0.242 nan 8.360 nan 0.000 0.425 38 P HA -0.023 nan 4.420 nan 0.000 0.260 38 P C -2.138 175.097 177.300 -0.108 0.000 1.185 38 P CA -0.523 62.495 63.100 -0.137 0.000 0.763 38 P CB 0.034 31.690 31.700 -0.073 0.000 0.776 39 P HA 0.009 nan 4.420 nan 0.000 0.226 39 P C -0.181 177.054 177.300 -0.108 0.000 1.758 39 P CA 0.097 63.136 63.100 -0.101 0.000 0.896 39 P CB -0.072 31.568 31.700 -0.099 0.000 1.784 40 V N -3.507 116.351 119.914 -0.093 0.000 3.267 40 V HA 0.883 5.003 4.120 -0.001 0.000 0.317 40 V C 1.063 177.109 176.094 -0.080 0.000 1.131 40 V CA 0.091 62.335 62.300 -0.095 0.000 1.031 40 V CB 0.480 32.256 31.823 -0.078 0.000 1.159 40 V HN 0.488 nan 8.190 nan 0.000 0.454 41 G N 1.339 110.092 108.800 -0.078 0.000 2.591 41 G HA2 -0.382 3.578 3.960 -0.001 0.000 0.298 41 G HA3 -0.382 3.578 3.960 -0.001 0.000 0.298 41 G C 0.535 175.392 174.900 -0.071 0.000 1.195 41 G CA 1.066 46.128 45.100 -0.063 0.000 0.989 41 G HN 1.109 nan 8.290 nan 0.000 0.551 42 N N 0.459 119.134 118.700 -0.042 0.000 2.550 42 N HA 0.174 4.914 4.740 -0.001 0.000 0.186 42 N C 2.190 177.683 175.510 -0.028 0.000 1.110 42 N CA 0.947 53.981 53.050 -0.026 0.000 0.912 42 N CB -0.097 38.392 38.487 0.002 0.000 0.968 42 N HN 0.487 nan 8.380 nan 0.000 0.448 43 M N -0.443 119.128 119.600 -0.048 0.000 2.556 43 M HA 0.044 4.523 4.480 -0.001 0.000 0.245 43 M C 0.543 176.793 176.300 -0.082 0.000 1.128 43 M CA -0.057 55.216 55.300 -0.045 0.000 1.069 43 M CB 0.277 32.851 32.600 -0.044 0.000 1.469 43 M HN 0.010 nan 8.290 nan 0.000 0.494 44 R N 0.521 120.921 120.500 -0.166 0.000 2.585 44 R HA -0.102 4.238 4.340 -0.001 0.000 0.275 44 R C -0.241 175.876 176.300 -0.305 0.000 1.018 44 R CA 0.655 56.531 56.100 -0.373 0.000 1.072 44 R CB 0.211 30.131 30.300 -0.634 0.000 0.953 44 R HN 0.234 nan 8.270 nan 0.000 0.419 45 F N -1.105 118.848 119.950 0.006 0.000 2.732 45 F HA -0.322 4.205 4.527 -0.001 0.000 0.443 45 F C 0.721 176.503 175.800 -0.030 0.000 0.572 45 F CA 1.468 59.447 58.000 -0.035 0.000 1.050 45 F CB -1.501 37.465 39.000 -0.056 0.000 1.665 45 F HN 0.647 nan 8.300 nan 0.000 0.278 46 R N 1.561 122.127 120.500 0.110 0.000 2.500 46 R HA 0.482 4.821 4.340 -0.001 0.000 0.275 46 R C 0.510 176.835 176.300 0.041 0.000 1.051 46 R CA -0.666 55.475 56.100 0.069 0.000 1.088 46 R CB 0.750 31.076 30.300 0.044 0.000 1.063 46 R HN 0.104 nan 8.270 nan 0.000 0.511 47 R N 3.081 123.605 120.500 0.040 0.000 2.697 47 R HA 0.025 4.364 4.340 -0.001 0.000 0.265 47 R C -1.882 174.438 176.300 0.033 0.000 1.009 47 R CA -0.771 55.351 56.100 0.037 0.000 1.099 47 R CB -0.023 30.303 30.300 0.043 0.000 0.965 47 R HN 0.506 nan 8.270 nan 0.000 0.428 48 P HA 0.033 nan 4.420 nan 0.000 0.271 48 P C -0.887 176.441 177.300 0.047 0.000 1.218 48 P CA 0.149 63.273 63.100 0.040 0.000 0.780 48 P CB 0.917 32.665 31.700 0.079 0.000 0.901 49 E N 2.601 122.820 120.200 0.031 0.000 2.212 49 E HA 0.415 4.764 4.350 -0.001 0.000 0.268 49 E C -2.349 174.282 176.600 0.052 0.000 0.902 49 E CA -2.516 53.908 56.400 0.040 0.000 0.779 49 E CB 0.729 30.445 29.700 0.026 0.000 1.172 49 E HN 0.305 nan 8.360 nan 0.000 0.409 50 P HA -0.079 nan 4.420 nan 0.000 0.264 50 P C -0.338 177.015 177.300 0.089 0.000 1.179 50 P CA 0.100 63.265 63.100 0.109 0.000 0.763 50 P CB 0.419 32.185 31.700 0.111 0.000 0.806 51 K N 3.662 124.126 120.400 0.106 0.000 2.339 51 K HA 0.095 4.415 4.320 -0.001 0.000 0.286 51 K C -0.220 176.474 176.600 0.158 0.000 1.050 51 K CA 0.090 56.436 56.287 0.098 0.000 0.956 51 K CB 0.031 32.577 32.500 0.077 0.000 0.990 51 K HN 0.215 nan 8.250 nan 0.000 0.475 52 K N 5.740 126.225 120.400 0.142 0.000 2.448 52 K HA 0.089 4.408 4.320 -0.001 0.000 0.278 52 K C -2.116 174.607 176.600 0.205 0.000 1.009 52 K CA -1.408 54.963 56.287 0.140 0.000 0.995 52 K CB 0.104 32.676 32.500 0.120 0.000 0.917 52 K HN 0.535 nan 8.250 nan 0.000 0.481 53 P HA -0.056 nan 4.420 nan 0.000 0.270 53 P C -1.282 176.112 177.300 0.157 0.000 1.221 53 P CA 0.037 63.119 63.100 -0.029 0.000 0.788 53 P CB 0.295 31.922 31.700 -0.121 0.000 0.904 54 W N -1.086 120.281 121.300 0.111 0.000 3.033 54 W HA 0.711 5.371 4.660 -0.000 0.000 0.336 54 W C -1.413 175.179 176.519 0.121 0.000 1.173 54 W CA -0.707 56.721 57.345 0.139 0.000 1.185 54 W CB 0.229 29.829 29.460 0.233 0.000 1.425 54 W HN 0.067 nan 8.180 nan 0.000 0.536 55 S N 1.546 117.449 115.700 0.338 0.000 2.608 55 S HA 0.831 5.301 4.470 -0.001 0.000 0.291 55 S C 0.376 175.158 174.600 0.304 0.000 1.146 55 S CA 0.465 58.795 58.200 0.217 0.000 1.043 55 S CB 1.048 64.327 63.200 0.132 0.000 1.037 55 S HN 1.599 nan 8.310 nan 0.000 0.520 56 G N 0.421 109.354 108.800 0.221 0.000 2.660 56 G HA2 -0.127 3.833 3.960 -0.001 0.000 0.215 56 G HA3 -0.127 3.833 3.960 -0.001 0.000 0.215 56 G C -1.111 173.974 174.900 0.308 0.000 1.345 56 G CA -0.567 44.657 45.100 0.207 0.000 0.877 56 G HN 0.967 nan 8.290 nan 0.000 0.549 57 V N 0.736 120.796 119.914 0.243 0.000 2.370 57 V HA 0.501 4.620 4.120 -0.001 0.000 0.283 57 V C 0.440 176.696 176.094 0.269 0.000 1.023 57 V CA -0.556 61.920 62.300 0.294 0.000 0.857 57 V CB 1.685 33.617 31.823 0.181 0.000 0.985 57 V HN 0.737 nan 8.190 nan 0.000 0.443 58 W N 5.431 126.852 121.300 0.203 0.000 2.304 58 W HA 0.198 4.858 4.660 -0.000 0.000 0.313 58 W C 0.232 176.757 176.519 0.010 0.000 1.323 58 W CA -0.360 56.950 57.345 -0.058 0.000 1.223 58 W CB 0.784 30.057 29.460 -0.311 0.000 1.237 58 W HN 0.639 nan 8.180 nan 0.000 0.535 59 N N 4.774 123.257 118.700 -0.362 0.000 2.399 59 N HA 0.193 4.933 4.740 -0.001 0.000 0.259 59 N C -0.668 174.832 175.510 -0.017 0.000 1.160 59 N CA 0.231 53.179 53.050 -0.170 0.000 0.946 59 N CB 0.793 39.115 38.487 -0.276 0.000 1.156 59 N HN 0.389 nan 8.380 nan 0.000 0.489 60 A N 2.854 125.792 122.820 0.196 0.000 3.219 60 A HA 0.238 4.558 4.320 -0.001 0.000 0.314 60 A C 0.819 178.428 177.584 0.042 0.000 1.081 60 A CA -0.499 51.679 52.037 0.235 0.000 0.995 60 A CB -0.399 18.846 19.000 0.407 0.000 1.067 60 A HN 0.612 nan 8.150 nan 0.000 0.533 61 S N -1.071 114.605 115.700 -0.039 0.000 2.559 61 S HA 0.221 4.690 4.470 -0.001 0.000 0.226 61 S C 0.617 175.136 174.600 -0.134 0.000 1.000 61 S CA 0.520 58.656 58.200 -0.107 0.000 0.948 61 S CB -0.196 62.943 63.200 -0.101 0.000 0.870 61 S HN 0.901 nan 8.310 nan 0.000 0.497 62 T N -0.906 113.582 114.554 -0.109 0.000 2.903 62 T HA 0.651 5.001 4.350 -0.001 0.000 0.299 62 T C -0.774 173.897 174.700 -0.047 0.000 1.093 62 T CA -0.706 61.327 62.100 -0.111 0.000 1.002 62 T CB 0.761 69.584 68.868 -0.076 0.000 1.127 62 T HN 0.055 nan 8.240 nan 0.000 0.488 63 Y N 2.786 123.058 120.300 -0.047 0.000 2.607 63 Y HA 0.312 4.861 4.550 -0.001 0.000 0.348 63 Y C -1.296 174.547 175.900 -0.097 0.000 1.261 63 Y CA -1.047 57.027 58.100 -0.043 0.000 1.480 63 Y CB 0.078 38.534 38.460 -0.006 0.000 1.358 63 Y HN 0.575 nan 8.280 nan 0.000 0.630 64 P HA 0.169 nan 4.420 nan 0.000 0.310 64 P C -0.780 176.470 177.300 -0.083 0.000 1.309 64 P CA -0.560 62.443 63.100 -0.161 0.000 0.769 64 P CB 1.181 32.726 31.700 -0.258 0.000 1.327 65 N N -0.229 118.412 118.700 -0.099 0.000 2.408 65 N HA 0.184 4.924 4.740 -0.001 0.000 0.260 65 N C -0.095 175.409 175.510 -0.010 0.000 1.242 65 N CA -0.131 52.895 53.050 -0.041 0.000 0.959 65 N CB 0.155 38.625 38.487 -0.028 0.000 1.201 65 N HN 0.394 nan 8.380 nan 0.000 0.511 66 N N -0.526 118.152 118.700 -0.038 0.000 2.456 66 N HA 0.391 5.130 4.740 -0.001 0.000 0.296 66 N C 0.237 175.718 175.510 -0.049 0.000 1.102 66 N CA -0.731 52.289 53.050 -0.050 0.000 0.924 66 N CB 1.232 39.668 38.487 -0.085 0.000 1.186 66 N HN 0.623 nan 8.380 nan 0.000 0.492 67 C N 1.212 120.485 119.300 -0.045 0.000 2.741 67 C HA 0.044 4.504 4.460 -0.001 0.000 0.403 67 C C 0.948 175.880 174.990 -0.096 0.000 1.282 67 C CA 0.055 59.032 59.018 -0.068 0.000 2.053 67 C CB -0.193 27.529 27.740 -0.029 0.000 2.731 67 C HN 0.519 nan 8.230 nan 0.000 0.680 68 Q N 2.718 122.395 119.800 -0.205 0.000 2.271 68 Q HA 0.334 4.674 4.340 -0.001 0.000 0.273 68 Q C 0.067 176.062 176.000 -0.008 0.000 1.051 68 Q CA 0.992 56.663 55.803 -0.219 0.000 0.901 68 Q CB 0.711 29.076 28.738 -0.622 0.000 1.174 68 Q HN 0.934 nan 8.270 nan 0.000 0.385 69 Q N 1.638 121.494 119.800 0.094 0.000 2.626 69 Q HA 0.380 4.720 4.340 -0.001 0.000 0.300 69 Q C -1.252 174.915 176.000 0.278 0.000 0.988 69 Q CA -1.062 54.881 55.803 0.233 0.000 0.761 69 Q CB 1.044 29.891 28.738 0.181 0.000 1.494 69 Q HN 0.465 nan 8.270 nan 0.000 0.439 70 Y N 0.899 121.379 120.300 0.299 0.000 2.377 70 Y HA 0.461 5.011 4.550 -0.001 0.000 0.330 70 Y C -1.143 174.923 175.900 0.277 0.000 1.108 70 Y CA -0.178 58.115 58.100 0.323 0.000 1.308 70 Y CB 1.060 39.797 38.460 0.461 0.000 1.216 70 Y HN 0.430 nan 8.280 nan 0.000 0.518 71 V N 6.300 125.903 119.914 -0.517 0.000 2.513 71 V HA 0.168 4.288 4.120 -0.001 0.000 0.299 71 V C -0.613 175.191 176.094 -0.482 0.000 1.035 71 V CA -1.010 61.105 62.300 -0.310 0.000 0.889 71 V CB 1.619 33.348 31.823 -0.156 0.000 0.988 71 V HN 0.786 nan 8.190 nan 0.000 0.440 72 D N 3.083 123.439 120.400 -0.073 0.000 2.312 72 D HA 0.231 4.871 4.640 -0.001 0.000 0.252 72 D C 0.264 176.625 176.300 0.102 0.000 1.150 72 D CA 0.128 54.195 54.000 0.111 0.000 0.870 72 D CB 1.135 42.145 40.800 0.351 0.000 1.153 72 D HN 0.673 nan 8.370 nan 0.000 0.457 73 E N 2.287 122.530 120.200 0.071 0.000 2.968 73 E HA -0.013 4.337 4.350 -0.001 0.000 0.202 73 E C 0.410 176.998 176.600 -0.020 0.000 0.979 73 E CA -0.080 56.345 56.400 0.041 0.000 1.192 73 E CB 0.707 30.402 29.700 -0.009 0.000 1.059 73 E HN 0.370 nan 8.360 nan 0.000 0.470 74 Q N -0.129 119.644 119.800 -0.045 0.000 2.369 74 Q HA 0.007 4.347 4.340 -0.001 0.000 0.206 74 Q C -0.432 175.054 176.000 -0.856 0.000 0.963 74 Q CA 1.121 56.644 55.803 -0.466 0.000 0.894 74 Q CB 0.265 28.619 28.738 -0.640 0.000 0.965 74 Q HN 0.131 nan 8.270 nan 0.000 0.475 75 F N -0.039 119.954 119.950 0.072 0.000 2.766 75 F HA 0.385 4.911 4.527 -0.001 0.000 0.355 75 F C -2.359 173.507 175.800 0.110 0.000 1.434 75 F CA -2.638 55.388 58.000 0.044 0.000 1.139 75 F CB 1.133 40.150 39.000 0.028 0.000 1.816 75 F HN -0.138 nan 8.300 nan 0.000 0.600 76 P HA 0.175 nan 4.420 nan 0.000 0.260 76 P C 1.029 178.416 177.300 0.145 0.000 1.172 76 P CA 1.656 64.833 63.100 0.129 0.000 0.760 76 P CB 0.731 32.469 31.700 0.063 0.000 0.773 77 G N 3.496 112.371 108.800 0.125 0.000 2.454 77 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.225 77 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.225 77 G C 0.195 175.167 174.900 0.120 0.000 1.138 77 G CA -0.320 44.837 45.100 0.095 0.000 0.667 77 G HN 0.547 nan 8.290 nan 0.000 0.512 78 F N 3.924 123.870 119.950 -0.007 0.000 2.514 78 F HA 0.323 4.850 4.527 -0.001 0.000 0.399 78 F C 1.930 177.665 175.800 -0.108 0.000 1.011 78 F CA 0.586 58.528 58.000 -0.097 0.000 1.109 78 F CB 0.628 39.559 39.000 -0.114 0.000 0.980 78 F HN 0.467 nan 8.300 nan 0.000 0.538 79 S N 3.458 118.865 115.700 -0.488 0.000 2.399 79 S HA -0.130 4.339 4.470 -0.001 0.000 0.231 79 S C 2.337 176.569 174.600 -0.614 0.000 1.022 79 S CA 0.835 58.765 58.200 -0.450 0.000 0.983 79 S CB -1.184 61.771 63.200 -0.408 0.000 0.803 79 S HN 0.794 nan 8.310 nan 0.000 0.480 80 G N 1.816 109.767 108.800 -1.416 0.000 2.503 80 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.221 80 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.221 80 G C 1.718 176.641 174.900 0.038 0.000 1.131 80 G CA 1.489 45.811 45.100 -1.298 0.000 0.756 80 G HN 0.867 nan 8.290 nan 0.000 0.572 81 S N -0.799 115.063 115.700 0.270 0.000 2.497 81 S HA 0.195 4.665 4.470 -0.001 0.000 0.218 81 S C 1.752 176.652 174.600 0.500 0.000 1.023 81 S CA 0.653 59.344 58.200 0.818 0.000 0.913 81 S CB 0.222 64.045 63.200 1.039 0.000 0.800 81 S HN 0.448 nan 8.310 nan 0.000 0.505 82 E N 1.843 122.169 120.200 0.210 0.000 2.285 82 E HA 0.052 4.401 4.350 -0.001 0.000 0.194 82 E C 1.844 178.407 176.600 -0.062 0.000 0.997 82 E CA 0.947 57.401 56.400 0.091 0.000 0.845 82 E CB -0.325 29.397 29.700 0.036 0.000 0.782 82 E HN 0.832 nan 8.360 nan 0.000 0.491 83 M N -1.724 117.737 119.600 -0.232 0.000 2.700 83 M HA -0.026 4.454 4.480 -0.001 0.000 0.249 83 M C 0.588 176.463 176.300 -0.708 0.000 1.082 83 M CA 1.220 56.208 55.300 -0.521 0.000 1.077 83 M CB -0.261 31.904 32.600 -0.726 0.000 1.477 83 M HN 0.051 nan 8.290 nan 0.000 0.529 84 W N -0.146 121.109 121.300 -0.075 0.000 2.873 84 W HA 0.318 4.977 4.660 -0.001 0.000 0.282 84 W C 0.550 177.007 176.519 -0.103 0.000 1.118 84 W CA -0.850 56.426 57.345 -0.115 0.000 1.480 84 W CB 0.036 29.462 29.460 -0.056 0.000 0.954 84 W HN 0.055 nan 8.180 nan 0.000 0.591 85 N N 2.007 120.782 118.700 0.125 0.000 2.415 85 N HA 0.087 4.826 4.740 -0.001 0.000 0.248 85 N C -2.480 173.015 175.510 -0.026 0.000 1.271 85 N CA -0.733 52.352 53.050 0.059 0.000 0.913 85 N CB -0.243 38.276 38.487 0.053 0.000 1.129 85 N HN -0.352 nan 8.380 nan 0.000 0.444 86 P HA 0.082 nan 4.420 nan 0.000 0.267 86 P C 0.031 177.283 177.300 -0.080 0.000 1.205 86 P CA -0.077 62.976 63.100 -0.079 0.000 0.765 86 P CB 0.252 31.913 31.700 -0.064 0.000 0.828 87 N N 1.910 120.546 118.700 -0.107 0.000 2.235 87 N HA 0.069 4.808 4.740 -0.001 0.000 0.209 87 N C 0.176 175.644 175.510 -0.070 0.000 1.122 87 N CA 0.001 52.997 53.050 -0.090 0.000 0.845 87 N CB 0.278 38.698 38.487 -0.110 0.000 1.004 87 N HN 0.125 nan 8.380 nan 0.000 0.499 88 R N -0.231 120.225 120.500 -0.073 0.000 2.855 88 R HA 0.304 4.644 4.340 -0.001 0.000 0.266 88 R C -0.837 175.433 176.300 -0.050 0.000 1.034 88 R CA -0.840 55.227 56.100 -0.055 0.000 0.944 88 R CB 0.542 30.804 30.300 -0.063 0.000 1.219 88 R HN 0.101 nan 8.270 nan 0.000 0.474 89 E N 1.494 121.668 120.200 -0.043 0.000 2.498 89 E HA 0.000 4.350 4.350 -0.001 0.000 0.252 89 E C -0.238 176.333 176.600 -0.048 0.000 1.025 89 E CA 0.454 56.829 56.400 -0.042 0.000 0.938 89 E CB 0.301 29.976 29.700 -0.041 0.000 0.947 89 E HN 0.246 nan 8.360 nan 0.000 0.478 90 M N 2.798 122.368 119.600 -0.049 0.000 2.238 90 M HA 0.169 4.648 4.480 -0.001 0.000 0.347 90 M C 0.006 176.262 176.300 -0.074 0.000 1.173 90 M CA 0.366 55.629 55.300 -0.062 0.000 1.147 90 M CB 1.099 33.664 32.600 -0.058 0.000 1.547 90 M HN 0.446 nan 8.290 nan 0.000 0.455 91 S N 0.763 116.407 115.700 -0.094 0.000 2.547 91 S HA 0.209 4.679 4.470 -0.001 0.000 0.270 91 S C 0.018 174.524 174.600 -0.156 0.000 1.150 91 S CA -0.733 57.405 58.200 -0.104 0.000 0.850 91 S CB 1.613 64.780 63.200 -0.055 0.000 1.118 91 S HN 0.837 nan 8.310 nan 0.000 0.461 92 E N 0.739 120.821 120.200 -0.196 0.000 2.478 92 E HA -0.058 4.292 4.350 -0.001 0.000 0.198 92 E C -0.451 176.055 176.600 -0.157 0.000 1.046 92 E CA 0.496 56.744 56.400 -0.254 0.000 0.870 92 E CB 0.152 29.695 29.700 -0.261 0.000 0.818 92 E HN 0.525 nan 8.360 nan 0.000 0.527 93 D N -0.953 119.396 120.400 -0.086 0.000 2.500 93 D HA 0.110 4.750 4.640 -0.001 0.000 0.219 93 D C 0.206 176.546 176.300 0.067 0.000 1.137 93 D CA -0.151 53.831 54.000 -0.030 0.000 0.946 93 D CB 0.276 41.094 40.800 0.030 0.000 1.022 93 D HN 0.213 nan 8.370 nan 0.000 0.518 94 C N 3.891 123.174 119.300 -0.028 0.000 3.364 94 C HA 0.339 4.799 4.460 -0.001 0.000 0.340 94 C C 1.201 176.151 174.990 -0.066 0.000 1.336 94 C CA -0.301 58.747 59.018 0.050 0.000 1.778 94 C CB -0.572 27.165 27.740 -0.004 0.000 2.398 94 C HN 0.557 nan 8.230 nan 0.000 0.667 95 L N 2.104 123.062 121.223 -0.441 0.000 2.505 95 L HA 0.260 4.599 4.340 -0.001 0.000 0.275 95 L C -0.936 175.122 176.870 -1.355 0.000 1.264 95 L CA 0.528 54.878 54.840 -0.816 0.000 1.148 95 L CB -1.450 40.047 42.059 -0.938 0.000 1.377 95 L HN 0.483 nan 8.230 nan 0.000 0.442 96 Y N 1.914 121.998 120.300 -0.360 0.000 2.605 96 Y HA 0.692 5.241 4.550 -0.000 0.000 0.343 96 Y C -0.083 175.906 175.900 0.149 0.000 1.036 96 Y CA -1.336 56.643 58.100 -0.203 0.000 1.065 96 Y CB 1.937 40.331 38.460 -0.111 0.000 1.288 96 Y HN 0.188 nan 8.280 nan 0.000 0.481 97 L N -0.157 121.234 121.223 0.279 0.000 2.350 97 L HA 0.754 5.094 4.340 -0.001 0.000 0.260 97 L C -1.367 175.567 176.870 0.107 0.000 1.015 97 L CA -1.165 53.810 54.840 0.225 0.000 0.821 97 L CB 1.855 44.002 42.059 0.147 0.000 1.370 97 L HN 0.458 nan 8.230 nan 0.000 0.416 98 N N 2.147 120.910 118.700 0.105 0.000 2.342 98 N HA 0.652 5.392 4.740 -0.001 0.000 0.293 98 N C -1.245 174.196 175.510 -0.115 0.000 1.026 98 N CA -0.194 52.821 53.050 -0.057 0.000 0.857 98 N CB 2.614 41.044 38.487 -0.094 0.000 1.256 98 N HN 0.650 nan 8.380 nan 0.000 0.484 99 I N 0.864 121.306 120.570 -0.214 0.000 2.436 99 I HA 0.365 4.535 4.170 -0.001 0.000 0.289 99 I C -0.623 175.449 176.117 -0.074 0.000 1.010 99 I CA -0.694 60.551 61.300 -0.093 0.000 1.098 99 I CB 2.043 39.885 38.000 -0.264 0.000 1.266 99 I HN 0.263 nan 8.210 nan 0.000 0.434 100 W N 6.478 127.914 121.300 0.226 0.000 2.318 100 W HA 0.519 5.179 4.660 -0.001 0.000 0.315 100 W C -0.989 175.673 176.519 0.240 0.000 1.033 100 W CA -0.518 56.965 57.345 0.230 0.000 1.275 100 W CB 1.953 31.522 29.460 0.183 0.000 1.250 100 W HN 0.099 nan 8.180 nan 0.000 0.421 101 V N 5.431 125.624 119.914 0.465 0.000 2.513 101 V HA 0.360 4.480 4.120 -0.001 0.000 0.299 101 V C -1.935 174.361 176.094 0.337 0.000 1.035 101 V CA -2.372 60.165 62.300 0.396 0.000 0.889 101 V CB 1.843 33.947 31.823 0.469 0.000 0.988 101 V HN 0.232 nan 8.190 nan 0.000 0.440 102 P HA 0.193 nan 4.420 nan 0.000 0.272 102 P C -0.672 176.757 177.300 0.216 0.000 1.254 102 P CA -0.068 63.170 63.100 0.231 0.000 0.795 102 P CB 0.513 32.314 31.700 0.168 0.000 1.022 103 S N 0.101 115.919 115.700 0.197 0.000 2.677 103 S HA 0.506 4.975 4.470 -0.001 0.000 0.283 103 S C -2.626 172.059 174.600 0.142 0.000 1.159 103 S CA -1.291 57.010 58.200 0.168 0.000 1.001 103 S CB 0.139 63.444 63.200 0.174 0.000 1.032 103 S HN 0.251 nan 8.310 nan 0.000 0.487 104 P HA 0.200 nan 4.420 nan 0.000 0.270 104 P C -0.484 176.887 177.300 0.118 0.000 1.223 104 P CA -0.584 62.580 63.100 0.106 0.000 0.785 104 P CB 0.416 32.164 31.700 0.081 0.000 0.923 105 R N 1.916 122.491 120.500 0.126 0.000 2.538 105 R HA 0.130 4.470 4.340 -0.001 0.000 0.282 105 R C -1.959 174.405 176.300 0.106 0.000 1.009 105 R CA -0.902 55.282 56.100 0.140 0.000 1.063 105 R CB -0.408 29.977 30.300 0.142 0.000 0.945 105 R HN 0.361 nan 8.270 nan 0.000 0.414 106 P HA 0.103 nan 4.420 nan 0.000 0.274 106 P C -0.254 177.080 177.300 0.057 0.000 1.256 106 P CA -0.474 62.672 63.100 0.075 0.000 0.795 106 P CB 0.766 32.514 31.700 0.079 0.000 1.038 107 K N -0.405 120.016 120.400 0.035 0.000 2.121 107 K HA 0.128 4.447 4.320 -0.001 0.000 0.203 107 K C 0.671 177.271 176.600 -0.000 0.000 1.041 107 K CA 1.100 57.397 56.287 0.016 0.000 0.969 107 K CB -0.417 32.089 32.500 0.010 0.000 0.799 107 K HN 0.323 nan 8.250 nan 0.000 0.456 108 S N 1.092 116.792 115.700 0.001 0.000 2.564 108 S HA 0.143 4.613 4.470 -0.001 0.000 0.141 108 S C -0.653 173.947 174.600 -0.001 0.000 1.474 108 S CA -0.357 57.835 58.200 -0.013 0.000 1.236 108 S CB 0.238 63.419 63.200 -0.032 0.000 1.481 108 S HN 0.195 nan 8.310 nan 0.000 0.397 109 T N 1.584 116.149 114.554 0.019 0.000 2.849 109 T HA 0.534 4.884 4.350 -0.001 0.000 0.276 109 T C 0.272 174.985 174.700 0.022 0.000 0.971 109 T CA 0.032 62.147 62.100 0.024 0.000 0.949 109 T CB 0.832 69.728 68.868 0.046 0.000 1.093 109 T HN 0.439 nan 8.240 nan 0.000 0.545 110 T N 1.925 116.492 114.554 0.022 0.000 2.907 110 T HA 0.470 4.820 4.350 -0.001 0.000 0.298 110 T C -0.384 174.346 174.700 0.051 0.000 1.017 110 T CA -0.504 61.608 62.100 0.020 0.000 1.118 110 T CB 0.784 69.652 68.868 0.001 0.000 0.948 110 T HN 0.423 nan 8.240 nan 0.000 0.531 111 V N 4.411 124.361 119.914 0.060 0.000 2.547 111 V HA 0.540 4.660 4.120 -0.001 0.000 0.299 111 V C -0.044 176.129 176.094 0.132 0.000 1.040 111 V CA -0.781 61.580 62.300 0.101 0.000 0.913 111 V CB 1.574 33.452 31.823 0.092 0.000 0.992 111 V HN 0.842 nan 8.190 nan 0.000 0.449 112 M N 4.098 123.816 119.600 0.198 0.000 2.151 112 M HA 0.484 4.964 4.480 -0.001 0.000 0.290 112 M C -1.391 175.165 176.300 0.426 0.000 0.965 112 M CA -0.517 54.963 55.300 0.300 0.000 0.930 112 M CB 2.188 34.943 32.600 0.258 0.000 1.560 112 M HN 0.358 nan 8.290 nan 0.000 0.438 113 V N 3.358 123.510 119.914 0.397 0.000 2.370 113 V HA 0.341 4.461 4.120 -0.001 0.000 0.279 113 V C -0.743 175.492 176.094 0.235 0.000 1.029 113 V CA -0.501 61.971 62.300 0.287 0.000 0.870 113 V CB 1.372 33.268 31.823 0.121 0.000 0.984 113 V HN 0.861 nan 8.190 nan 0.000 0.451 114 W N 7.342 128.596 121.300 -0.077 0.000 2.335 114 W HA 0.603 5.262 4.660 -0.000 0.000 0.307 114 W C -1.362 174.996 176.519 -0.269 0.000 1.117 114 W CA -0.914 56.147 57.345 -0.473 0.000 1.228 114 W CB 1.251 30.458 29.460 -0.423 0.000 1.240 114 W HN 0.442 nan 8.180 nan 0.000 0.468 115 I N 9.504 129.482 120.570 -0.988 0.000 2.330 115 I HA 0.060 4.229 4.170 -0.001 0.000 0.286 115 I C -0.002 175.330 176.117 -1.308 0.000 1.025 115 I CA -1.091 59.676 61.300 -0.889 0.000 1.197 115 I CB 0.337 37.985 38.000 -0.588 0.000 1.358 115 I HN 0.313 nan 8.210 nan 0.000 0.467 116 Y N 4.776 124.512 120.300 -0.941 0.000 2.511 116 Y HA 0.597 5.147 4.550 -0.000 0.000 0.347 116 Y C 0.716 176.403 175.900 -0.355 0.000 1.257 116 Y CA -0.881 56.760 58.100 -0.766 0.000 1.469 116 Y CB -0.121 38.164 38.460 -0.292 0.000 1.353 116 Y HN 0.503 nan 8.280 nan 0.000 0.617 117 G N -1.162 107.642 108.800 0.007 0.000 2.705 117 G HA2 0.523 4.482 3.960 -0.001 0.000 0.299 117 G HA3 0.523 4.482 3.960 -0.001 0.000 0.299 117 G C 0.168 175.051 174.900 -0.029 0.000 1.315 117 G CA -0.945 44.120 45.100 -0.058 0.000 1.045 117 G HN 1.613 nan 8.290 nan 0.000 0.517 118 G N -2.777 105.860 108.800 -0.273 0.000 3.698 118 G HA2 0.443 4.403 3.960 -0.001 0.000 0.222 118 G HA3 0.443 4.403 3.960 -0.001 0.000 0.222 118 G C 0.921 175.310 174.900 -0.852 0.000 0.908 118 G CA 0.877 45.680 45.100 -0.494 0.000 1.077 118 G HN 2.273 nan 8.290 nan 0.000 0.709 119 G N -0.162 108.198 108.800 -0.734 0.000 2.179 119 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.257 119 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.257 119 G C 0.841 175.552 174.900 -0.315 0.000 1.010 119 G CA 0.472 45.038 45.100 -0.890 0.000 0.736 119 G HN 1.572 nan 8.290 nan 0.000 0.513 120 F N -3.009 116.857 119.950 -0.140 0.000 2.973 120 F HA -0.295 4.232 4.527 -0.000 0.000 0.299 120 F C 1.363 177.218 175.800 0.093 0.000 0.737 120 F CA 2.163 60.157 58.000 -0.010 0.000 1.151 120 F CB -2.070 36.776 39.000 -0.257 0.000 1.440 120 F HN 1.051 nan 8.300 nan 0.000 0.367 121 Y N -1.157 119.200 120.300 0.095 0.000 2.626 121 Y HA 0.664 5.214 4.550 -0.001 0.000 0.248 121 Y C 0.355 176.344 175.900 0.148 0.000 1.147 121 Y CA -0.023 58.153 58.100 0.127 0.000 1.219 121 Y CB -0.005 38.452 38.460 -0.004 0.000 1.279 121 Y HN 0.145 nan 8.280 nan 0.000 0.541 122 S N -0.971 114.596 115.700 -0.222 0.000 2.643 122 S HA 0.821 5.291 4.470 -0.001 0.000 0.266 122 S C -0.346 174.134 174.600 -0.199 0.000 1.130 122 S CA -0.447 57.661 58.200 -0.153 0.000 0.817 122 S CB 1.217 64.280 63.200 -0.229 0.000 1.107 122 S HN 1.457 nan 8.310 nan 0.000 0.471 123 G N -0.111 108.546 108.800 -0.239 0.000 2.453 123 G HA2 0.458 4.418 3.960 -0.001 0.000 0.665 123 G HA3 0.458 4.418 3.960 -0.001 0.000 0.665 123 G C -1.010 173.332 174.900 -0.929 0.000 1.411 123 G CA -0.257 44.541 45.100 -0.503 0.000 0.889 123 G HN 1.536 nan 8.290 nan 0.000 0.651 124 S N -0.676 114.429 115.700 -0.992 0.000 2.588 124 S HA 0.757 5.227 4.470 -0.001 0.000 0.275 124 S C 1.018 175.384 174.600 -0.390 0.000 1.130 124 S CA 0.008 57.807 58.200 -0.668 0.000 0.855 124 S CB 1.849 64.870 63.200 -0.297 0.000 1.116 124 S HN 1.905 nan 8.310 nan 0.000 0.472 125 S N 0.005 115.704 115.700 -0.002 0.000 2.458 125 S HA -0.075 4.395 4.470 -0.001 0.000 0.223 125 S C 1.670 176.363 174.600 0.155 0.000 1.019 125 S CA 0.951 59.361 58.200 0.349 0.000 0.937 125 S CB -0.937 62.521 63.200 0.430 0.000 0.788 125 S HN 0.883 nan 8.310 nan 0.000 0.511 126 T N 0.996 115.424 114.554 -0.209 0.000 3.163 126 T HA 0.253 4.602 4.350 -0.001 0.000 0.260 126 T C 0.698 175.110 174.700 -0.480 0.000 1.156 126 T CA -0.136 61.509 62.100 -0.758 0.000 1.072 126 T CB -0.875 67.480 68.868 -0.855 0.000 0.937 126 T HN 0.343 nan 8.240 nan 0.000 0.528 127 L N 1.849 122.911 121.223 -0.268 0.000 2.499 127 L HA 0.097 4.437 4.340 -0.001 0.000 0.281 127 L C 1.520 178.194 176.870 -0.326 0.000 1.234 127 L CA -0.423 54.199 54.840 -0.363 0.000 0.839 127 L CB 0.321 42.006 42.059 -0.623 0.000 1.104 127 L HN 0.089 nan 8.230 nan 0.000 0.500 128 D N 1.118 121.329 120.400 -0.315 0.000 2.104 128 D HA -0.140 4.500 4.640 -0.001 0.000 0.194 128 D C 1.992 178.106 176.300 -0.310 0.000 0.994 128 D CA 1.289 55.157 54.000 -0.220 0.000 0.830 128 D CB -0.014 40.660 40.800 -0.210 0.000 0.959 128 D HN 0.474 nan 8.370 nan 0.000 0.452 129 V N -0.110 119.475 119.914 -0.548 0.000 2.720 129 V HA -0.205 3.915 4.120 -0.001 0.000 0.256 129 V C 1.074 176.731 176.094 -0.728 0.000 1.082 129 V CA 1.116 63.049 62.300 -0.612 0.000 1.101 129 V CB -1.081 30.256 31.823 -0.811 0.000 0.693 129 V HN 0.120 nan 8.190 nan 0.000 0.479 130 Y N 0.409 120.317 120.300 -0.653 0.000 2.811 130 Y HA 0.430 4.979 4.550 -0.000 0.000 0.330 130 Y C 0.817 176.396 175.900 -0.536 0.000 1.081 130 Y CA -1.854 55.622 58.100 -1.040 0.000 1.408 130 Y CB -1.002 37.184 38.460 -0.456 0.000 1.235 130 Y HN 0.195 nan 8.280 nan 0.000 0.529 131 N N 1.141 119.693 118.700 -0.245 0.000 2.439 131 N HA 0.070 4.809 4.740 -0.001 0.000 0.243 131 N C 1.273 176.520 175.510 -0.438 0.000 1.088 131 N CA 0.231 53.129 53.050 -0.253 0.000 0.940 131 N CB 1.227 39.646 38.487 -0.112 0.000 1.180 131 N HN 0.548 nan 8.380 nan 0.000 0.505 132 G N 3.092 111.177 108.800 -1.192 0.000 2.776 132 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.209 132 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.209 132 G C 1.438 175.813 174.900 -0.875 0.000 1.145 132 G CA 0.454 45.056 45.100 -0.830 0.000 0.791 132 G HN 0.716 nan 8.290 nan 0.000 0.530 133 K N -0.565 119.131 120.400 -1.173 0.000 2.057 133 K HA -0.121 4.198 4.320 -0.001 0.000 0.206 133 K C 1.802 178.223 176.600 -0.298 0.000 1.050 133 K CA 1.039 56.945 56.287 -0.634 0.000 0.935 133 K CB -0.530 31.643 32.500 -0.544 0.000 0.715 133 K HN 0.267 nan 8.250 nan 0.000 0.439 134 Y N 1.317 121.541 120.300 -0.126 0.000 2.128 134 Y HA -0.179 4.371 4.550 -0.001 0.000 0.284 134 Y C 2.379 178.282 175.900 0.005 0.000 1.154 134 Y CA 0.994 59.078 58.100 -0.027 0.000 1.149 134 Y CB -0.678 37.748 38.460 -0.056 0.000 0.976 134 Y HN 0.056 nan 8.280 nan 0.000 0.505 135 L N 0.033 121.301 121.223 0.076 0.000 2.005 135 L HA -0.065 4.275 4.340 -0.001 0.000 0.207 135 L C 2.440 179.327 176.870 0.028 0.000 1.072 135 L CA 1.907 56.740 54.840 -0.011 0.000 0.744 135 L CB -1.326 40.634 42.059 -0.165 0.000 0.895 135 L HN 0.140 nan 8.230 nan 0.000 0.433 136 A N -1.140 121.708 122.820 0.047 0.000 1.873 136 A HA -0.347 3.973 4.320 -0.001 0.000 0.218 136 A C 2.336 180.001 177.584 0.134 0.000 1.193 136 A CA 2.299 54.409 52.037 0.122 0.000 0.629 136 A CB -1.402 17.723 19.000 0.209 0.000 0.826 136 A HN 0.638 nan 8.150 nan 0.000 0.447 137 Y N 0.903 121.225 120.300 0.037 0.000 2.089 137 Y HA -0.193 4.356 4.550 -0.001 0.000 0.282 137 Y C 2.763 178.688 175.900 0.041 0.000 1.139 137 Y CA 2.497 60.623 58.100 0.043 0.000 1.123 137 Y CB -0.907 37.566 38.460 0.022 0.000 0.980 137 Y HN 0.293 nan 8.280 nan 0.000 0.493 138 T N 0.373 114.909 114.554 -0.030 0.000 2.788 138 T HA -0.140 4.210 4.350 -0.001 0.000 0.268 138 T C 1.425 176.059 174.700 -0.110 0.000 1.044 138 T CA 1.745 63.774 62.100 -0.118 0.000 1.139 138 T CB -0.110 68.776 68.868 0.031 0.000 0.867 138 T HN 0.342 nan 8.240 nan 0.000 0.454 139 E N 0.395 120.566 120.200 -0.048 0.000 2.460 139 E HA 0.095 4.445 4.350 -0.001 0.000 0.200 139 E C 0.036 176.626 176.600 -0.018 0.000 1.011 139 E CA 0.104 56.495 56.400 -0.015 0.000 0.912 139 E CB 0.289 29.991 29.700 0.003 0.000 0.953 139 E HN 0.607 nan 8.360 nan 0.000 0.494 140 E N 0.042 120.225 120.200 -0.028 0.000 2.266 140 E HA -0.139 4.211 4.350 -0.001 0.000 0.209 140 E C -0.425 176.199 176.600 0.040 0.000 1.286 140 E CA 0.377 56.778 56.400 0.002 0.000 0.677 140 E CB -2.067 27.624 29.700 -0.015 0.000 1.173 140 E HN 0.108 nan 8.360 nan 0.000 0.384 141 V N -3.280 116.675 119.914 0.069 0.000 3.007 141 V HA 0.664 4.783 4.120 -0.001 0.000 0.311 141 V C 0.207 176.386 176.094 0.141 0.000 1.120 141 V CA -1.181 61.170 62.300 0.085 0.000 0.980 141 V CB 2.338 34.199 31.823 0.062 0.000 1.033 141 V HN 0.025 nan 8.190 nan 0.000 0.429 142 V N 4.693 124.697 119.914 0.151 0.000 2.455 142 V HA 0.277 4.397 4.120 -0.001 0.000 0.273 142 V C 0.053 176.286 176.094 0.232 0.000 1.045 142 V CA -0.202 62.218 62.300 0.200 0.000 0.976 142 V CB 1.084 33.007 31.823 0.166 0.000 0.993 142 V HN 0.742 nan 8.190 nan 0.000 0.475 143 L N 7.556 128.973 121.223 0.324 0.000 2.265 143 L HA 0.549 4.888 4.340 -0.001 0.000 0.289 143 L C -0.324 176.832 176.870 0.476 0.000 1.033 143 L CA 0.118 55.197 54.840 0.399 0.000 0.814 143 L CB 1.659 43.963 42.059 0.407 0.000 1.203 143 L HN 0.389 nan 8.230 nan 0.000 0.423 144 V N 3.707 123.859 119.914 0.396 0.000 2.547 144 V HA 0.518 4.638 4.120 -0.001 0.000 0.299 144 V C 0.116 176.460 176.094 0.416 0.000 1.040 144 V CA -0.548 61.951 62.300 0.330 0.000 0.913 144 V CB 1.925 33.868 31.823 0.199 0.000 0.992 144 V HN 0.849 nan 8.190 nan 0.000 0.449 145 S N 4.664 120.610 115.700 0.410 0.000 2.756 145 S HA 0.705 5.175 4.470 -0.001 0.000 0.303 145 S C -0.853 173.940 174.600 0.323 0.000 1.135 145 S CA -0.662 57.821 58.200 0.472 0.000 1.066 145 S CB 0.593 64.214 63.200 0.701 0.000 1.008 145 S HN 0.620 nan 8.310 nan 0.000 0.482 146 L N 3.130 124.484 121.223 0.218 0.000 2.376 146 L HA 0.996 5.336 4.340 -0.001 0.000 0.267 146 L C 0.158 177.185 176.870 0.263 0.000 1.035 146 L CA -0.637 54.312 54.840 0.182 0.000 0.800 146 L CB 0.708 42.749 42.059 -0.029 0.000 1.290 146 L HN 0.600 nan 8.230 nan 0.000 0.462 147 S N -1.121 114.802 115.700 0.372 0.000 2.632 147 S HA 0.916 5.386 4.470 -0.001 0.000 0.289 147 S C -1.191 173.659 174.600 0.417 0.000 1.115 147 S CA -0.492 57.940 58.200 0.387 0.000 0.889 147 S CB 1.617 65.060 63.200 0.405 0.000 1.116 147 S HN 1.133 nan 8.310 nan 0.000 0.486 148 Y N -1.605 118.817 120.300 0.204 0.000 2.624 148 Y HA 0.691 5.241 4.550 -0.000 0.000 0.334 148 Y C -0.756 175.266 175.900 0.204 0.000 1.155 148 Y CA -1.419 56.786 58.100 0.174 0.000 1.046 148 Y CB 0.664 39.182 38.460 0.095 0.000 1.316 148 Y HN 0.764 nan 8.280 nan 0.000 0.457 149 R N 1.697 122.334 120.500 0.228 0.000 2.491 149 R HA 0.562 4.902 4.340 -0.001 0.000 0.283 149 R C -0.246 176.228 176.300 0.290 0.000 1.072 149 R CA -0.342 55.851 56.100 0.154 0.000 1.048 149 R CB 1.131 31.490 30.300 0.098 0.000 0.983 149 R HN 0.709 nan 8.270 nan 0.000 0.450 150 V N -0.207 119.899 119.914 0.320 0.000 3.166 150 V HA 0.902 5.022 4.120 -0.001 0.000 0.317 150 V C 0.646 177.071 176.094 0.551 0.000 1.136 150 V CA -0.060 62.564 62.300 0.539 0.000 1.035 150 V CB 1.207 33.242 31.823 0.354 0.000 1.110 150 V HN 0.967 nan 8.190 nan 0.000 0.450 151 G N 0.411 109.570 108.800 0.598 0.000 2.641 151 G HA2 0.046 4.006 3.960 -0.001 0.000 0.254 151 G HA3 0.046 4.006 3.960 -0.001 0.000 0.254 151 G C 1.003 176.090 174.900 0.312 0.000 1.315 151 G CA 0.967 46.345 45.100 0.464 0.000 0.907 151 G HN 2.265 nan 8.290 nan 0.000 0.572 152 A N -1.342 121.392 122.820 -0.143 0.000 1.917 152 A HA 0.073 4.393 4.320 -0.001 0.000 0.219 152 A C 2.243 179.736 177.584 -0.153 0.000 1.182 152 A CA 2.771 54.425 52.037 -0.638 0.000 0.633 152 A CB -0.589 17.785 19.000 -1.043 0.000 0.819 152 A HN 1.103 nan 8.150 nan 0.000 0.448 153 F N -0.144 119.891 119.950 0.142 0.000 2.236 153 F HA -0.070 4.456 4.527 -0.001 0.000 0.302 153 F C 2.283 178.123 175.800 0.067 0.000 1.073 153 F CA 1.268 59.335 58.000 0.111 0.000 1.336 153 F CB -0.440 38.566 39.000 0.009 0.000 1.040 153 F HN 0.316 nan 8.300 nan 0.000 0.507 154 G N -3.201 105.697 108.800 0.164 0.000 3.274 154 G HA2 0.161 4.121 3.960 -0.001 0.000 0.250 154 G HA3 0.161 4.121 3.960 -0.001 0.000 0.250 154 G C 0.536 174.972 174.900 -0.774 0.000 1.024 154 G CA 0.006 44.965 45.100 -0.236 0.000 0.840 154 G HN 0.301 nan 8.290 nan 0.000 0.522 155 F N -0.347 119.671 119.950 0.112 0.000 2.899 155 F HA 0.423 4.950 4.527 -0.001 0.000 0.337 155 F C 0.285 176.112 175.800 0.045 0.000 1.129 155 F CA -0.888 57.152 58.000 0.067 0.000 1.128 155 F CB 0.544 39.599 39.000 0.092 0.000 1.154 155 F HN -0.061 nan 8.300 nan 0.000 0.531 156 L N 2.226 123.448 121.223 -0.001 0.000 2.499 156 L HA 0.501 4.841 4.340 -0.001 0.000 0.273 156 L C 0.137 176.968 176.870 -0.065 0.000 1.195 156 L CA 0.175 54.916 54.840 -0.165 0.000 0.882 156 L CB 0.382 42.054 42.059 -0.645 0.000 1.133 156 L HN 0.157 nan 8.230 nan 0.000 0.483 157 A N 6.858 129.680 122.820 0.003 0.000 2.410 157 A HA 0.580 4.899 4.320 -0.001 0.000 0.289 157 A C -0.879 176.715 177.584 0.017 0.000 1.200 157 A CA -0.472 51.578 52.037 0.022 0.000 0.751 157 A CB 0.510 19.552 19.000 0.070 0.000 1.161 157 A HN 0.686 nan 8.150 nan 0.000 0.459 158 L N 3.665 124.889 121.223 0.001 0.000 2.504 158 L HA 0.242 4.581 4.340 -0.001 0.000 0.249 158 L C 0.240 177.142 176.870 0.052 0.000 1.120 158 L CA -0.796 54.051 54.840 0.011 0.000 0.997 158 L CB 0.073 42.113 42.059 -0.033 0.000 1.349 158 L HN 0.890 nan 8.230 nan 0.000 0.439 159 H N 1.707 120.774 119.070 -0.005 0.000 3.092 159 H HA 0.158 4.714 4.556 -0.001 0.000 0.332 159 H C 1.237 176.568 175.328 0.005 0.000 1.029 159 H CA 1.648 57.700 56.048 0.006 0.000 1.376 159 H CB 0.810 30.579 29.762 0.011 0.000 1.329 159 H HN 0.684 nan 8.280 nan 0.000 0.598 160 G N 2.502 110.968 108.800 -0.557 0.000 2.232 160 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.226 160 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.226 160 G C 0.316 175.114 174.900 -0.170 0.000 0.996 160 G CA 0.459 45.352 45.100 -0.345 0.000 0.626 160 G HN 1.113 nan 8.290 nan 0.000 0.509 161 S N -0.692 114.940 115.700 -0.114 0.000 2.718 161 S HA 0.734 5.203 4.470 -0.001 0.000 0.300 161 S C 0.603 175.179 174.600 -0.041 0.000 1.117 161 S CA -0.134 58.032 58.200 -0.057 0.000 1.002 161 S CB 2.102 65.286 63.200 -0.027 0.000 1.092 161 S HN 0.045 nan 8.310 nan 0.000 0.542 162 Q N 0.005 119.796 119.800 -0.016 0.000 2.247 162 Q HA 0.275 4.615 4.340 -0.001 0.000 0.211 162 Q C 0.649 176.663 176.000 0.023 0.000 0.861 162 Q CA 0.152 55.955 55.803 0.001 0.000 0.949 162 Q CB 0.209 28.948 28.738 0.002 0.000 1.115 162 Q HN 0.693 nan 8.270 nan 0.000 0.507 163 E N 0.557 120.774 120.200 0.029 0.000 2.299 163 E HA 0.129 4.479 4.350 -0.001 0.000 0.193 163 E C 0.100 176.753 176.600 0.088 0.000 0.998 163 E CA 0.387 56.823 56.400 0.060 0.000 0.851 163 E CB 0.617 30.355 29.700 0.063 0.000 0.795 163 E HN 0.157 nan 8.360 nan 0.000 0.492 164 A N 1.086 123.935 122.820 0.047 0.000 3.330 164 A HA 0.246 4.566 4.320 -0.001 0.000 0.256 164 A C -2.058 175.534 177.584 0.014 0.000 1.185 164 A CA -0.725 51.333 52.037 0.036 0.000 0.940 164 A CB 0.481 19.441 19.000 -0.067 0.000 1.397 164 A HN -0.119 nan 8.150 nan 0.000 0.678 165 P HA 0.071 nan 4.420 nan 0.000 0.216 165 P C 0.948 178.291 177.300 0.073 0.000 1.150 165 P CA 2.218 65.345 63.100 0.045 0.000 0.837 165 P CB 0.181 31.909 31.700 0.046 0.000 0.786 166 G N -0.566 108.259 108.800 0.042 0.000 2.515 166 G HA2 -0.075 3.885 3.960 -0.001 0.000 0.686 166 G HA3 -0.075 3.885 3.960 -0.001 0.000 0.686 166 G C -0.293 174.605 174.900 -0.005 0.000 1.274 166 G CA -0.270 44.853 45.100 0.037 0.000 0.874 166 G HN 0.118 nan 8.290 nan 0.000 0.631 167 N N -2.276 116.400 118.700 -0.040 0.000 2.732 167 N HA -0.285 4.455 4.740 -0.001 0.000 0.250 167 N C 1.960 177.333 175.510 -0.227 0.000 1.097 167 N CA 2.411 55.362 53.050 -0.166 0.000 0.812 167 N CB -1.666 36.663 38.487 -0.263 0.000 1.148 167 N HN 1.921 nan 8.380 nan 0.000 0.572 168 V N -2.509 117.286 119.914 -0.199 0.000 2.720 168 V HA -0.010 4.110 4.120 -0.001 0.000 0.256 168 V C 2.227 178.209 176.094 -0.186 0.000 1.082 168 V CA 2.277 64.503 62.300 -0.123 0.000 1.101 168 V CB -0.833 30.956 31.823 -0.057 0.000 0.693 168 V HN 0.296 nan 8.190 nan 0.000 0.479 169 G N 0.217 108.723 108.800 -0.491 0.000 2.421 169 G HA2 -0.067 3.893 3.960 -0.001 0.000 0.217 169 G HA3 -0.067 3.893 3.960 -0.001 0.000 0.217 169 G C 1.507 176.354 174.900 -0.088 0.000 1.143 169 G CA 0.954 45.813 45.100 -0.402 0.000 0.784 169 G HN 0.539 nan 8.290 nan 0.000 0.541 170 L N -0.084 121.048 121.223 -0.151 0.000 2.179 170 L HA 0.160 4.500 4.340 -0.001 0.000 0.208 170 L C 2.744 179.703 176.870 0.148 0.000 1.096 170 L CA 0.156 54.934 54.840 -0.105 0.000 0.779 170 L CB -0.225 41.450 42.059 -0.640 0.000 0.922 170 L HN 0.178 nan 8.230 nan 0.000 0.443 171 L N -0.629 120.675 121.223 0.134 0.000 2.056 171 L HA -0.203 4.136 4.340 -0.001 0.000 0.207 171 L C 2.209 179.175 176.870 0.160 0.000 1.078 171 L CA 0.959 55.923 54.840 0.208 0.000 0.749 171 L CB -0.650 41.495 42.059 0.144 0.000 0.901 171 L HN 0.265 nan 8.230 nan 0.000 0.433 172 D N 0.205 120.690 120.400 0.143 0.000 2.106 172 D HA -0.238 4.402 4.640 -0.001 0.000 0.191 172 D C 2.277 178.667 176.300 0.149 0.000 0.997 172 D CA 1.429 55.565 54.000 0.225 0.000 0.834 172 D CB -0.189 40.771 40.800 0.266 0.000 0.956 172 D HN 0.390 nan 8.370 nan 0.000 0.448 173 Q N -0.045 119.806 119.800 0.086 0.000 2.096 173 Q HA -0.155 4.185 4.340 -0.001 0.000 0.204 173 Q C 2.297 178.229 176.000 -0.113 0.000 0.982 173 Q CA 1.099 56.871 55.803 -0.053 0.000 0.850 173 Q CB -0.073 28.638 28.738 -0.045 0.000 0.901 173 Q HN 0.199 nan 8.270 nan 0.000 0.422 174 R N 0.333 120.862 120.500 0.048 0.000 2.096 174 R HA -0.168 4.172 4.340 -0.001 0.000 0.235 174 R C 2.174 178.453 176.300 -0.036 0.000 1.127 174 R CA 1.412 57.522 56.100 0.017 0.000 0.968 174 R CB -0.111 30.282 30.300 0.154 0.000 0.861 174 R HN 0.235 nan 8.270 nan 0.000 0.440 175 M N 0.358 119.948 119.600 -0.016 0.000 2.067 175 M HA -0.108 4.372 4.480 -0.001 0.000 0.260 175 M C 2.144 178.329 176.300 -0.191 0.000 1.069 175 M CA 2.190 57.491 55.300 0.002 0.000 1.117 175 M CB -0.193 32.508 32.600 0.168 0.000 1.334 175 M HN 0.242 nan 8.290 nan 0.000 0.407 176 A N -0.008 122.420 122.820 -0.653 0.000 1.908 176 A HA -0.157 4.163 4.320 -0.001 0.000 0.218 176 A C 2.124 179.549 177.584 -0.265 0.000 1.181 176 A CA 1.842 53.332 52.037 -0.911 0.000 0.627 176 A CB -1.216 17.091 19.000 -1.155 0.000 0.818 176 A HN 0.600 nan 8.150 nan 0.000 0.445 177 L N -1.240 119.872 121.223 -0.186 0.000 2.141 177 L HA -0.195 4.145 4.340 -0.001 0.000 0.209 177 L C 2.795 179.696 176.870 0.052 0.000 1.094 177 L CA 1.482 56.289 54.840 -0.056 0.000 0.763 177 L CB -0.356 41.639 42.059 -0.106 0.000 0.908 177 L HN 0.472 nan 8.230 nan 0.000 0.437 178 Q N -0.481 119.346 119.800 0.045 0.000 2.119 178 Q HA -0.247 4.093 4.340 -0.001 0.000 0.201 178 Q C 1.977 178.091 176.000 0.190 0.000 0.972 178 Q CA 1.820 57.679 55.803 0.094 0.000 0.847 178 Q CB -0.385 28.398 28.738 0.076 0.000 0.903 178 Q HN 0.483 nan 8.270 nan 0.000 0.433 179 W N -0.876 120.433 121.300 0.015 0.000 2.388 179 W HA -0.083 4.577 4.660 -0.001 0.000 0.294 179 W C 1.730 178.289 176.519 0.067 0.000 1.212 179 W CA 1.307 58.687 57.345 0.059 0.000 1.271 179 W CB 0.049 29.543 29.460 0.056 0.000 1.126 179 W HN -0.027 nan 8.180 nan 0.000 0.535 180 V N -0.181 119.919 119.914 0.309 0.000 2.626 180 V HA -0.307 3.813 4.120 -0.001 0.000 0.252 180 V C 2.330 178.469 176.094 0.074 0.000 1.067 180 V CA 2.148 64.560 62.300 0.187 0.000 1.081 180 V CB -1.052 30.863 31.823 0.154 0.000 0.686 180 V HN 0.333 nan 8.190 nan 0.000 0.468 181 H N 0.004 119.075 119.070 0.002 0.000 2.448 181 H HA -0.053 4.503 4.556 -0.001 0.000 0.292 181 H C 1.512 176.788 175.328 -0.087 0.000 1.035 181 H CA 1.378 57.407 56.048 -0.031 0.000 1.349 181 H CB 0.364 30.121 29.762 -0.008 0.000 1.425 181 H HN 0.413 nan 8.280 nan 0.000 0.539 182 D N -0.323 120.057 120.400 -0.033 0.000 2.350 182 D HA 0.004 4.643 4.640 -0.001 0.000 0.213 182 D C 0.806 176.975 176.300 -0.218 0.000 1.031 182 D CA 0.230 54.163 54.000 -0.113 0.000 0.861 182 D CB 0.374 41.137 40.800 -0.063 0.000 0.926 182 D HN 0.430 nan 8.370 nan 0.000 0.520 183 N N -0.093 118.409 118.700 -0.329 0.000 2.104 183 N HA 0.006 4.746 4.740 -0.001 0.000 0.227 183 N C 1.467 176.923 175.510 -0.089 0.000 1.321 183 N CA -0.186 52.708 53.050 -0.260 0.000 0.877 183 N CB 0.925 38.927 38.487 -0.808 0.000 1.117 183 N HN -0.024 nan 8.380 nan 0.000 0.486 184 I N 3.262 123.780 120.570 -0.087 0.000 2.657 184 I HA -0.252 3.918 4.170 -0.001 0.000 0.261 184 I C 2.491 178.612 176.117 0.006 0.000 1.212 184 I CA 1.391 62.731 61.300 0.066 0.000 1.453 184 I CB -0.194 37.815 38.000 0.015 0.000 1.092 184 I HN 0.221 nan 8.210 nan 0.000 0.452 185 Q N -0.820 118.807 119.800 -0.289 0.000 2.224 185 Q HA -0.207 4.132 4.340 -0.001 0.000 0.203 185 Q C 1.641 177.384 176.000 -0.429 0.000 0.970 185 Q CA 1.555 57.106 55.803 -0.420 0.000 0.865 185 Q CB -0.724 27.621 28.738 -0.655 0.000 0.922 185 Q HN 0.438 nan 8.270 nan 0.000 0.445 186 F N -0.534 119.371 119.950 -0.075 0.000 2.802 186 F HA 0.169 4.695 4.527 -0.001 0.000 0.300 186 F C 0.617 176.199 175.800 -0.363 0.000 1.168 186 F CA 0.178 58.039 58.000 -0.230 0.000 1.433 186 F CB 0.081 38.868 39.000 -0.354 0.000 1.115 186 F HN 0.006 nan 8.300 nan 0.000 0.582 187 F N -0.794 119.151 119.950 -0.007 0.000 2.661 187 F HA 0.437 4.963 4.527 -0.001 0.000 0.306 187 F C 1.735 177.546 175.800 0.018 0.000 1.094 187 F CA 0.258 58.241 58.000 -0.027 0.000 1.254 187 F CB 0.361 39.315 39.000 -0.077 0.000 1.040 187 F HN 0.021 nan 8.300 nan 0.000 0.562 188 G N 0.081 108.955 108.800 0.124 0.000 2.194 188 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.236 188 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.236 188 G C 0.674 175.612 174.900 0.062 0.000 0.987 188 G CA -0.315 44.836 45.100 0.085 0.000 0.635 188 G HN 0.693 nan 8.290 nan 0.000 0.520 189 G N -0.179 108.663 108.800 0.070 0.000 2.448 189 G HA2 0.486 4.446 3.960 -0.001 0.000 0.285 189 G HA3 0.486 4.446 3.960 -0.001 0.000 0.285 189 G C -0.690 174.192 174.900 -0.030 0.000 1.176 189 G CA 0.437 45.559 45.100 0.037 0.000 0.852 189 G HN 0.343 nan 8.290 nan 0.000 0.530 190 D N 1.413 121.797 120.400 -0.027 0.000 2.396 190 D HA 0.282 4.922 4.640 -0.001 0.000 0.225 190 D C -0.845 175.414 176.300 -0.067 0.000 1.121 190 D CA -2.300 51.664 54.000 -0.060 0.000 0.853 190 D CB 1.781 42.556 40.800 -0.042 0.000 1.043 190 D HN 0.070 nan 8.370 nan 0.000 0.500 191 P HA -0.180 nan 4.420 nan 0.000 0.221 191 P C 0.534 177.780 177.300 -0.089 0.000 1.145 191 P CA 0.961 63.967 63.100 -0.156 0.000 0.795 191 P CB -0.028 31.463 31.700 -0.348 0.000 0.775 192 K N -0.733 119.622 120.400 -0.076 0.000 2.504 192 K HA 0.159 4.479 4.320 -0.001 0.000 0.199 192 K C -0.204 176.388 176.600 -0.014 0.000 1.028 192 K CA 0.140 56.407 56.287 -0.032 0.000 1.164 192 K CB -0.342 32.133 32.500 -0.043 0.000 0.877 192 K HN -0.194 nan 8.250 nan 0.000 0.508 193 T N 1.036 115.588 114.554 -0.004 0.000 3.905 193 T HA 0.094 4.444 4.350 -0.001 0.000 0.227 193 T C -1.572 173.146 174.700 0.030 0.000 1.055 193 T CA -0.598 61.502 62.100 -0.000 0.000 1.607 193 T CB 0.992 69.845 68.868 -0.024 0.000 0.781 193 T HN 0.173 nan 8.240 nan 0.000 0.639 194 V N 1.839 121.799 119.914 0.077 0.000 2.398 194 V HA 0.748 4.868 4.120 -0.001 0.000 0.286 194 V C -0.451 175.741 176.094 0.163 0.000 1.026 194 V CA 0.045 62.417 62.300 0.120 0.000 0.868 194 V CB 1.627 33.538 31.823 0.147 0.000 0.982 194 V HN 0.512 nan 8.190 nan 0.000 0.443 195 T N 8.755 123.398 114.554 0.148 0.000 2.758 195 T HA 0.528 4.877 4.350 -0.001 0.000 0.285 195 T C -0.079 174.756 174.700 0.226 0.000 0.981 195 T CA -0.123 62.077 62.100 0.167 0.000 0.965 195 T CB 0.722 69.647 68.868 0.095 0.000 0.927 195 T HN 0.820 nan 8.240 nan 0.000 0.448 196 I N 1.608 122.263 120.570 0.143 0.000 2.428 196 I HA 0.873 5.042 4.170 -0.001 0.000 0.296 196 I C -0.928 175.343 176.117 0.257 0.000 0.985 196 I CA -1.056 60.305 61.300 0.102 0.000 1.260 196 I CB 1.036 38.882 38.000 -0.257 0.000 1.389 196 I HN 0.512 nan 8.210 nan 0.000 0.484 197 F N 3.201 123.182 119.950 0.052 0.000 2.591 197 F HA 0.990 5.516 4.527 -0.001 0.000 0.309 197 F C -0.352 175.475 175.800 0.046 0.000 1.098 197 F CA -0.909 57.162 58.000 0.118 0.000 0.937 197 F CB 1.234 40.396 39.000 0.269 0.000 1.250 197 F HN 0.778 nan 8.300 nan 0.000 0.447 198 G N 0.877 109.660 108.800 -0.028 0.000 2.766 198 G HA2 0.589 4.549 3.960 -0.001 0.000 0.288 198 G HA3 0.589 4.549 3.960 -0.001 0.000 0.288 198 G C -2.218 172.610 174.900 -0.119 0.000 1.408 198 G CA -0.787 44.047 45.100 -0.442 0.000 0.852 198 G HN 0.783 nan 8.290 nan 0.000 0.487 199 E N -0.276 119.781 120.200 -0.237 0.000 2.314 199 E HA 0.541 4.891 4.350 -0.001 0.000 0.272 199 E C 0.385 176.973 176.600 -0.019 0.000 0.884 199 E CA 0.141 56.566 56.400 0.041 0.000 0.753 199 E CB 2.333 32.189 29.700 0.261 0.000 1.213 199 E HN 0.780 nan 8.360 nan 0.000 0.432 200 S N 2.779 118.534 115.700 0.092 0.000 4.114 200 S HA -0.403 4.067 4.470 -0.001 0.000 0.618 200 S C 1.467 176.161 174.600 0.157 0.000 1.937 200 S CA 2.296 60.608 58.200 0.185 0.000 4.228 200 S CB -1.509 61.747 63.200 0.093 0.000 0.216 200 S HN 0.948 nan 8.310 nan 0.000 0.528 201 A N 1.093 123.887 122.820 -0.043 0.000 2.070 201 A HA 0.212 4.532 4.320 -0.001 0.000 0.220 201 A C 2.399 179.744 177.584 -0.399 0.000 1.159 201 A CA 2.220 54.040 52.037 -0.363 0.000 0.656 201 A CB -1.464 16.937 19.000 -0.998 0.000 0.800 201 A HN 1.542 nan 8.150 nan 0.000 0.453 202 G N -0.675 107.956 108.800 -0.282 0.000 2.408 202 G HA2 0.128 4.088 3.960 -0.001 0.000 0.215 202 G HA3 0.128 4.088 3.960 -0.001 0.000 0.215 202 G C 1.438 176.195 174.900 -0.237 0.000 1.156 202 G CA 0.996 45.889 45.100 -0.344 0.000 0.793 202 G HN 0.628 nan 8.290 nan 0.000 0.535 203 G N 0.887 109.610 108.800 -0.129 0.000 2.443 203 G HA2 0.130 4.090 3.960 -0.001 0.000 0.219 203 G HA3 0.130 4.090 3.960 -0.001 0.000 0.219 203 G C 1.895 176.730 174.900 -0.108 0.000 1.131 203 G CA 1.359 46.419 45.100 -0.067 0.000 0.775 203 G HN 0.578 nan 8.290 nan 0.000 0.547 204 A N 0.677 123.442 122.820 -0.091 0.000 1.930 204 A HA 0.152 4.471 4.320 -0.001 0.000 0.215 204 A C 2.662 180.207 177.584 -0.064 0.000 1.176 204 A CA 1.915 53.878 52.037 -0.123 0.000 0.632 204 A CB -0.347 18.598 19.000 -0.091 0.000 0.819 204 A HN 0.272 nan 8.150 nan 0.000 0.445 205 S N -0.264 115.417 115.700 -0.033 0.000 2.368 205 S HA -0.113 4.356 4.470 -0.001 0.000 0.224 205 S C 1.888 176.481 174.600 -0.012 0.000 1.029 205 S CA 1.296 59.482 58.200 -0.023 0.000 0.988 205 S CB -0.466 62.680 63.200 -0.090 0.000 0.838 205 S HN 0.307 nan 8.310 nan 0.000 0.462 206 V N 1.873 121.759 119.914 -0.047 0.000 2.287 206 V HA -0.195 3.925 4.120 -0.001 0.000 0.248 206 V C 2.608 178.681 176.094 -0.035 0.000 1.053 206 V CA 2.093 64.364 62.300 -0.049 0.000 1.027 206 V CB -1.418 30.343 31.823 -0.103 0.000 0.646 206 V HN 0.609 nan 8.190 nan 0.000 0.447 207 G N -1.464 107.265 108.800 -0.119 0.000 2.448 207 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.219 207 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.219 207 G C 1.586 176.460 174.900 -0.043 0.000 1.127 207 G CA 0.838 45.824 45.100 -0.190 0.000 0.766 207 G HN 0.454 nan 8.290 nan 0.000 0.552 208 M N -0.313 119.284 119.600 -0.006 0.000 2.349 208 M HA 0.086 4.566 4.480 -0.001 0.000 0.266 208 M C 2.060 178.456 176.300 0.161 0.000 1.076 208 M CA 0.696 56.089 55.300 0.154 0.000 1.126 208 M CB 0.006 32.699 32.600 0.155 0.000 1.392 208 M HN 0.199 nan 8.290 nan 0.000 0.440 209 H N -0.715 118.485 119.070 0.217 0.000 2.535 209 H HA 0.104 4.660 4.556 -0.001 0.000 0.273 209 H C 1.953 177.500 175.328 0.366 0.000 0.983 209 H CA 1.080 57.268 56.048 0.233 0.000 1.238 209 H CB 0.133 29.950 29.762 0.091 0.000 1.412 209 H HN 0.407 nan 8.280 nan 0.000 0.562 210 I N 0.385 121.226 120.570 0.452 0.000 2.617 210 I HA -0.178 3.991 4.170 -0.001 0.000 0.256 210 I C 1.967 178.324 176.117 0.400 0.000 1.167 210 I CA 0.680 62.279 61.300 0.500 0.000 1.469 210 I CB 0.117 38.375 38.000 0.429 0.000 1.098 210 I HN 0.116 nan 8.210 nan 0.000 0.436 211 L N -0.681 120.742 121.223 0.333 0.000 2.168 211 L HA 0.036 4.375 4.340 -0.001 0.000 0.203 211 L C 1.516 178.527 176.870 0.236 0.000 1.078 211 L CA 0.122 55.161 54.840 0.332 0.000 0.780 211 L CB -0.251 42.015 42.059 0.346 0.000 0.939 211 L HN 0.074 nan 8.230 nan 0.000 0.451 212 S N 0.624 116.406 115.700 0.137 0.000 2.515 212 S HA 0.066 4.536 4.470 -0.001 0.000 0.285 212 S C -1.541 172.977 174.600 -0.135 0.000 1.265 212 S CA -1.165 56.940 58.200 -0.159 0.000 1.079 212 S CB 0.860 63.666 63.200 -0.657 0.000 0.877 212 S HN -0.081 nan 8.310 nan 0.000 0.493 213 P HA -0.007 nan 4.420 nan 0.000 0.216 213 P C 1.420 178.638 177.300 -0.137 0.000 1.150 213 P CA 1.196 64.236 63.100 -0.101 0.000 0.837 213 P CB -0.150 31.498 31.700 -0.087 0.000 0.786 214 G N -1.555 107.109 108.800 -0.228 0.000 2.776 214 G HA2 -0.102 3.858 3.960 -0.001 0.000 0.209 214 G HA3 -0.102 3.858 3.960 -0.001 0.000 0.209 214 G C 1.239 176.049 174.900 -0.151 0.000 1.145 214 G CA 0.491 45.469 45.100 -0.203 0.000 0.791 214 G HN 0.224 nan 8.290 nan 0.000 0.530 215 S N -0.596 115.045 115.700 -0.098 0.000 2.554 215 S HA 0.126 4.596 4.470 -0.001 0.000 0.227 215 S C 2.227 176.896 174.600 0.115 0.000 1.050 215 S CA -0.548 57.696 58.200 0.073 0.000 0.927 215 S CB 0.238 63.624 63.200 0.310 0.000 0.859 215 S HN 0.295 nan 8.310 nan 0.000 0.494 216 R N 2.293 122.811 120.500 0.030 0.000 2.133 216 R HA -0.172 4.167 4.340 -0.001 0.000 0.245 216 R C 0.780 176.890 176.300 -0.318 0.000 1.137 216 R CA 1.863 57.889 56.100 -0.124 0.000 0.947 216 R CB -1.050 29.205 30.300 -0.075 0.000 0.865 216 R HN 0.364 nan 8.270 nan 0.000 0.437 217 D N 0.654 120.936 120.400 -0.197 0.000 2.378 217 D HA -0.050 4.589 4.640 -0.001 0.000 0.222 217 D C 1.536 177.707 176.300 -0.215 0.000 0.980 217 D CA 0.681 54.558 54.000 -0.204 0.000 0.907 217 D CB -0.099 40.605 40.800 -0.160 0.000 0.899 217 D HN 0.267 nan 8.370 nan 0.000 0.527 218 L N -0.339 120.788 121.223 -0.159 0.000 2.611 218 L HA 0.185 4.525 4.340 -0.001 0.000 0.229 218 L C -0.176 176.815 176.870 0.202 0.000 1.137 218 L CA -0.164 54.660 54.840 -0.027 0.000 0.901 218 L CB -0.240 41.832 42.059 0.022 0.000 1.098 218 L HN -0.055 nan 8.230 nan 0.000 0.456 219 F N -4.490 115.473 119.950 0.023 0.000 2.713 219 F HA 0.565 5.091 4.527 -0.000 0.000 0.311 219 F C 0.335 176.164 175.800 0.048 0.000 1.141 219 F CA -1.299 56.728 58.000 0.045 0.000 0.939 219 F CB 1.103 40.123 39.000 0.035 0.000 1.325 219 F HN -0.401 nan 8.300 nan 0.000 0.453 220 R N 0.696 121.302 120.500 0.176 0.000 2.072 220 R HA 0.481 4.820 4.340 -0.001 0.000 0.214 220 R C -0.006 176.378 176.300 0.140 0.000 1.168 220 R CA 0.996 57.131 56.100 0.058 0.000 1.020 220 R CB 0.220 30.540 30.300 0.032 0.000 0.914 220 R HN 0.800 nan 8.270 nan 0.000 0.449 221 R N -1.198 119.441 120.500 0.231 0.000 2.950 221 R HA 0.793 5.133 4.340 -0.001 0.000 0.253 221 R C -1.286 175.229 176.300 0.358 0.000 1.168 221 R CA -0.734 55.506 56.100 0.233 0.000 1.014 221 R CB 1.978 32.247 30.300 -0.053 0.000 1.228 221 R HN 0.232 nan 8.270 nan 0.000 0.487 222 A N 0.805 123.826 122.820 0.336 0.000 2.572 222 A HA 0.696 5.016 4.320 -0.001 0.000 0.295 222 A C -1.302 176.407 177.584 0.208 0.000 1.072 222 A CA -0.654 51.518 52.037 0.225 0.000 0.691 222 A CB 1.396 20.485 19.000 0.150 0.000 1.291 222 A HN 0.571 nan 8.150 nan 0.000 0.404 223 I N 1.631 122.285 120.570 0.142 0.000 2.468 223 I HA 0.352 4.522 4.170 -0.001 0.000 0.285 223 I C -1.518 174.667 176.117 0.114 0.000 1.039 223 I CA -0.508 60.811 61.300 0.033 0.000 1.074 223 I CB 1.787 39.739 38.000 -0.079 0.000 1.228 223 I HN 0.424 nan 8.210 nan 0.000 0.436 224 L N 6.787 128.047 121.223 0.062 0.000 2.313 224 L HA 0.489 4.829 4.340 -0.001 0.000 0.283 224 L C -0.391 176.573 176.870 0.157 0.000 1.013 224 L CA -0.256 54.629 54.840 0.075 0.000 0.816 224 L CB 1.506 43.556 42.059 -0.014 0.000 1.236 224 L HN 0.493 nan 8.230 nan 0.000 0.419 225 Q N 1.585 121.522 119.800 0.228 0.000 2.331 225 Q HA 0.482 4.822 4.340 -0.001 0.000 0.267 225 Q C -0.032 176.106 176.000 0.230 0.000 1.006 225 Q CA -0.739 55.257 55.803 0.322 0.000 0.818 225 Q CB 1.786 30.825 28.738 0.501 0.000 1.276 225 Q HN 0.619 nan 8.270 nan 0.000 0.450 226 S N 0.785 116.608 115.700 0.205 0.000 3.486 226 S HA -0.171 4.299 4.470 -0.001 0.000 0.371 226 S C 0.042 174.798 174.600 0.261 0.000 1.001 226 S CA 0.683 59.023 58.200 0.234 0.000 1.164 226 S CB -1.162 62.215 63.200 0.295 0.000 0.911 226 S HN 0.992 nan 8.310 nan 0.000 0.472 227 G N -0.477 108.418 108.800 0.159 0.000 2.473 227 G HA2 0.570 4.530 3.960 -0.001 0.000 0.298 227 G HA3 0.570 4.530 3.960 -0.001 0.000 0.298 227 G C -1.019 173.850 174.900 -0.051 0.000 1.575 227 G CA 0.083 45.273 45.100 0.150 0.000 0.846 227 G HN 1.176 nan 8.290 nan 0.000 0.585 228 S N 1.306 116.895 115.700 -0.185 0.000 2.550 228 S HA 0.786 5.256 4.470 -0.001 0.000 0.270 228 S C -1.892 172.423 174.600 -0.474 0.000 1.145 228 S CA -0.851 57.102 58.200 -0.412 0.000 0.852 228 S CB 2.955 65.878 63.200 -0.461 0.000 1.119 228 S HN 0.478 nan 8.310 nan 0.000 0.465 229 P HA -0.207 nan 4.420 nan 0.000 0.218 229 P C 0.454 177.495 177.300 -0.430 0.000 1.152 229 P CA 1.656 64.502 63.100 -0.424 0.000 0.857 229 P CB -0.431 31.044 31.700 -0.374 0.000 0.787 230 N N -0.681 117.791 118.700 -0.381 0.000 2.466 230 N HA 0.029 4.768 4.740 -0.001 0.000 0.251 230 N C -0.461 174.819 175.510 -0.383 0.000 1.164 230 N CA -0.386 52.479 53.050 -0.308 0.000 0.888 230 N CB -1.309 37.104 38.487 -0.123 0.000 1.177 230 N HN 0.046 nan 8.380 nan 0.000 0.498 231 C N 1.967 120.912 119.300 -0.591 0.000 2.463 231 C HA 0.292 4.752 4.460 -0.001 0.000 0.380 231 C C -0.362 174.166 174.990 -0.770 0.000 1.264 231 C CA -1.089 57.461 59.018 -0.781 0.000 2.161 231 C CB 1.651 28.600 27.740 -1.320 0.000 2.515 231 C HN 0.371 nan 8.230 nan 0.000 0.565 232 P HA -0.107 nan 4.420 nan 0.000 0.226 232 P C 0.933 178.060 177.300 -0.287 0.000 1.146 232 P CA 1.678 64.538 63.100 -0.401 0.000 0.773 232 P CB -0.016 31.475 31.700 -0.349 0.000 0.772 233 W N -2.046 119.102 121.300 -0.252 0.000 2.975 233 W HA 0.575 5.234 4.660 -0.000 0.000 0.316 233 W C 1.057 177.577 176.519 0.001 0.000 1.131 233 W CA 0.342 57.593 57.345 -0.157 0.000 1.624 233 W CB -0.793 28.556 29.460 -0.184 0.000 1.038 233 W HN -0.139 nan 8.180 nan 0.000 0.571 234 A N 1.635 124.101 122.820 -0.590 0.000 2.238 234 A HA 0.245 4.565 4.320 -0.001 0.000 0.208 234 A C 0.862 178.268 177.584 -0.297 0.000 1.177 234 A CA 1.129 52.926 52.037 -0.401 0.000 0.804 234 A CB -0.604 17.903 19.000 -0.822 0.000 0.823 234 A HN 0.245 nan 8.150 nan 0.000 0.482 235 S N -1.982 113.547 115.700 -0.286 0.000 2.578 235 S HA 0.577 5.047 4.470 -0.001 0.000 0.272 235 S C -0.825 173.644 174.600 -0.218 0.000 1.145 235 S CA -0.126 57.904 58.200 -0.285 0.000 0.835 235 S CB 1.049 64.024 63.200 -0.376 0.000 1.104 235 S HN 1.397 nan 8.310 nan 0.000 0.458 236 V N -0.968 118.836 119.914 -0.183 0.000 3.167 236 V HA 0.975 5.095 4.120 -0.001 0.000 0.310 236 V C 0.124 176.141 176.094 -0.129 0.000 1.207 236 V CA -0.405 61.808 62.300 -0.144 0.000 1.059 236 V CB 1.173 32.925 31.823 -0.118 0.000 1.079 236 V HN 1.608 nan 8.190 nan 0.000 0.446 237 S N 0.357 115.991 115.700 -0.111 0.000 2.632 237 S HA 0.431 4.901 4.470 -0.001 0.000 0.267 237 S C 1.269 175.817 174.600 -0.086 0.000 1.276 237 S CA -0.014 58.126 58.200 -0.101 0.000 0.998 237 S CB 1.256 64.403 63.200 -0.089 0.000 0.953 237 S HN 2.081 nan 8.310 nan 0.000 0.547 238 V N -0.927 118.926 119.914 -0.102 0.000 2.407 238 V HA -0.050 4.070 4.120 -0.001 0.000 0.248 238 V C 2.626 178.693 176.094 -0.044 0.000 1.055 238 V CA 1.788 64.036 62.300 -0.088 0.000 1.049 238 V CB -2.123 29.591 31.823 -0.182 0.000 0.662 238 V HN 1.009 nan 8.190 nan 0.000 0.455 239 A N 0.761 123.551 122.820 -0.051 0.000 1.865 239 A HA -0.256 4.064 4.320 -0.001 0.000 0.217 239 A C 2.240 179.796 177.584 -0.045 0.000 1.191 239 A CA 2.278 54.293 52.037 -0.037 0.000 0.623 239 A CB -0.741 18.236 19.000 -0.039 0.000 0.826 239 A HN 0.654 nan 8.150 nan 0.000 0.444 240 E N -0.034 120.129 120.200 -0.062 0.000 2.106 240 E HA -0.016 4.333 4.350 -0.001 0.000 0.192 240 E C 1.965 178.521 176.600 -0.074 0.000 0.984 240 E CA 1.500 57.852 56.400 -0.081 0.000 0.806 240 E CB -0.824 28.817 29.700 -0.098 0.000 0.750 240 E HN 0.396 nan 8.360 nan 0.000 0.458 241 G N 0.642 109.411 108.800 -0.052 0.000 2.440 241 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.218 241 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.218 241 G C 1.770 176.672 174.900 0.002 0.000 1.154 241 G CA 0.876 45.965 45.100 -0.018 0.000 0.767 241 G HN 0.304 nan 8.290 nan 0.000 0.552 242 R N 0.150 120.647 120.500 -0.005 0.000 2.066 242 R HA 0.033 4.373 4.340 -0.001 0.000 0.232 242 R C 2.594 178.885 176.300 -0.014 0.000 1.131 242 R CA 1.131 57.230 56.100 -0.000 0.000 0.955 242 R CB -0.347 29.957 30.300 0.007 0.000 0.851 242 R HN 0.266 nan 8.270 nan 0.000 0.432 243 R N 0.600 121.081 120.500 -0.032 0.000 2.103 243 R HA -0.159 4.180 4.340 -0.001 0.000 0.242 243 R C 2.105 178.376 176.300 -0.048 0.000 1.142 243 R CA 1.928 58.000 56.100 -0.047 0.000 0.960 243 R CB -0.096 30.161 30.300 -0.071 0.000 0.858 243 R HN 0.283 nan 8.270 nan 0.000 0.439 244 R N -0.484 119.980 120.500 -0.060 0.000 2.148 244 R HA 0.007 4.347 4.340 -0.001 0.000 0.223 244 R C 2.296 178.647 176.300 0.085 0.000 1.088 244 R CA 0.921 56.983 56.100 -0.064 0.000 0.985 244 R CB -0.184 29.984 30.300 -0.221 0.000 0.880 244 R HN 0.227 nan 8.270 nan 0.000 0.451 245 A N 0.905 123.778 122.820 0.088 0.000 1.877 245 A HA -0.118 4.201 4.320 -0.001 0.000 0.216 245 A C 2.335 179.922 177.584 0.006 0.000 1.186 245 A CA 1.391 53.463 52.037 0.058 0.000 0.620 245 A CB -0.588 18.401 19.000 -0.019 0.000 0.822 245 A HN 0.089 nan 8.150 nan 0.000 0.443 246 V N -0.064 119.848 119.914 -0.003 0.000 2.261 246 V HA -0.245 3.875 4.120 -0.001 0.000 0.246 246 V C 2.620 178.714 176.094 0.000 0.000 1.047 246 V CA 2.454 64.748 62.300 -0.009 0.000 1.015 246 V CB -0.797 31.019 31.823 -0.012 0.000 0.642 246 V HN 0.660 nan 8.190 nan 0.000 0.446 247 E N 0.246 120.446 120.200 0.001 0.000 2.085 247 E HA -0.250 4.100 4.350 -0.001 0.000 0.194 247 E C 1.947 178.563 176.600 0.027 0.000 0.994 247 E CA 1.533 57.934 56.400 0.003 0.000 0.801 247 E CB -0.569 29.119 29.700 -0.020 0.000 0.743 247 E HN 0.435 nan 8.360 nan 0.000 0.453 248 L N -0.159 121.102 121.223 0.063 0.000 2.013 248 L HA -0.072 4.267 4.340 -0.001 0.000 0.212 248 L C 2.172 179.060 176.870 0.029 0.000 1.073 248 L CA 2.613 57.505 54.840 0.087 0.000 0.753 248 L CB -1.115 41.029 42.059 0.143 0.000 0.890 248 L HN 0.217 nan 8.230 nan 0.000 0.432 249 G N -1.007 107.796 108.800 0.005 0.000 2.422 249 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.218 249 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.218 249 G C 1.808 176.715 174.900 0.012 0.000 1.146 249 G CA 0.675 45.774 45.100 -0.002 0.000 0.769 249 G HN 0.437 nan 8.290 nan 0.000 0.547 250 R N 0.417 120.925 120.500 0.013 0.000 2.120 250 R HA -0.019 4.321 4.340 -0.001 0.000 0.234 250 R C 2.132 178.444 176.300 0.021 0.000 1.123 250 R CA 1.156 57.264 56.100 0.014 0.000 0.975 250 R CB -0.293 30.012 30.300 0.009 0.000 0.866 250 R HN 0.322 nan 8.270 nan 0.000 0.446 251 N N 0.222 118.938 118.700 0.027 0.000 2.331 251 N HA -0.080 4.659 4.740 -0.001 0.000 0.180 251 N C 1.137 176.669 175.510 0.037 0.000 1.019 251 N CA 0.801 53.873 53.050 0.035 0.000 0.881 251 N CB 0.188 38.703 38.487 0.047 0.000 0.972 251 N HN 0.269 nan 8.380 nan 0.000 0.435 252 L N 0.953 122.196 121.223 0.034 0.000 2.700 252 L HA 0.165 4.505 4.340 -0.001 0.000 0.234 252 L C -0.466 176.423 176.870 0.032 0.000 1.156 252 L CA -0.114 54.747 54.840 0.035 0.000 0.946 252 L CB -0.185 41.893 42.059 0.033 0.000 1.216 252 L HN 0.066 nan 8.230 nan 0.000 0.493 253 N N 0.202 118.919 118.700 0.029 0.000 2.648 253 N HA -0.197 4.542 4.740 -0.001 0.000 0.265 253 N C -0.205 175.322 175.510 0.030 0.000 1.100 253 N CA 1.055 54.121 53.050 0.027 0.000 0.715 253 N CB -1.802 36.701 38.487 0.028 0.000 0.881 253 N HN 0.494 nan 8.380 nan 0.000 0.548 254 C N 0.784 120.101 119.300 0.028 0.000 2.529 254 C HA 0.624 5.083 4.460 -0.001 0.000 0.329 254 C C 1.006 176.014 174.990 0.030 0.000 1.194 254 C CA -0.845 58.193 59.018 0.034 0.000 1.779 254 C CB 1.450 29.209 27.740 0.033 0.000 2.322 254 C HN 0.552 nan 8.230 nan 0.000 0.500 255 N N 2.407 121.128 118.700 0.036 0.000 2.438 255 N HA 0.196 4.936 4.740 -0.001 0.000 0.267 255 N C 0.217 175.739 175.510 0.021 0.000 1.222 255 N CA 0.194 53.260 53.050 0.026 0.000 0.930 255 N CB 0.363 38.866 38.487 0.027 0.000 1.083 255 N HN 0.643 nan 8.380 nan 0.000 0.476 256 L N 2.832 124.063 121.223 0.013 0.000 2.791 256 L HA 0.208 4.548 4.340 -0.001 0.000 0.239 256 L C 1.200 178.073 176.870 0.005 0.000 1.203 256 L CA -0.336 54.509 54.840 0.008 0.000 1.002 256 L CB -0.221 41.840 42.059 0.004 0.000 1.295 256 L HN 0.383 nan 8.230 nan 0.000 0.504 257 N N 0.638 119.341 118.700 0.006 0.000 2.216 257 N HA -0.059 4.681 4.740 -0.001 0.000 0.183 257 N C 0.817 176.328 175.510 0.001 0.000 1.017 257 N CA 0.901 53.953 53.050 0.003 0.000 0.861 257 N CB 0.281 38.768 38.487 0.001 0.000 0.986 257 N HN 0.479 nan 8.380 nan 0.000 0.428 258 S N -1.377 114.324 115.700 0.003 0.000 2.638 258 S HA 0.382 4.852 4.470 -0.001 0.000 0.274 258 S C -0.091 174.512 174.600 0.005 0.000 1.157 258 S CA -0.829 57.372 58.200 0.002 0.000 0.826 258 S CB 1.693 64.894 63.200 0.001 0.000 1.139 258 S HN -0.227 nan 8.310 nan 0.000 0.474 259 D N 1.059 121.460 120.400 0.002 0.000 2.117 259 D HA -0.022 4.617 4.640 -0.001 0.000 0.197 259 D C 1.543 177.853 176.300 0.017 0.000 0.987 259 D CA 1.716 55.717 54.000 0.001 0.000 0.829 259 D CB -0.289 40.508 40.800 -0.006 0.000 0.961 259 D HN 0.678 nan 8.370 nan 0.000 0.460 260 E N 0.641 120.855 120.200 0.023 0.000 2.085 260 E HA -0.177 4.173 4.350 -0.001 0.000 0.194 260 E C 1.906 178.545 176.600 0.064 0.000 0.994 260 E CA 0.933 57.359 56.400 0.043 0.000 0.801 260 E CB -0.223 29.491 29.700 0.023 0.000 0.743 260 E HN 0.206 nan 8.360 nan 0.000 0.453 261 E N 0.240 120.462 120.200 0.036 0.000 2.021 261 E HA -0.184 4.165 4.350 -0.001 0.000 0.200 261 E C 1.838 178.483 176.600 0.076 0.000 1.015 261 E CA 0.874 57.298 56.400 0.040 0.000 0.824 261 E CB -0.419 29.292 29.700 0.019 0.000 0.762 261 E HN 0.204 nan 8.360 nan 0.000 0.454 262 L N 0.526 121.776 121.223 0.045 0.000 1.976 262 L HA -0.126 4.213 4.340 -0.001 0.000 0.209 262 L C 2.215 179.111 176.870 0.043 0.000 1.071 262 L CA 1.760 56.619 54.840 0.031 0.000 0.746 262 L CB -0.772 41.283 42.059 -0.007 0.000 0.890 262 L HN 0.284 nan 8.230 nan 0.000 0.432 263 I N -0.576 120.017 120.570 0.038 0.000 2.145 263 I HA -0.400 3.770 4.170 -0.001 0.000 0.244 263 I C 2.665 178.863 176.117 0.134 0.000 1.075 263 I CA 1.857 63.197 61.300 0.067 0.000 1.332 263 I CB -0.895 37.149 38.000 0.074 0.000 1.033 263 I HN 0.532 nan 8.210 nan 0.000 0.410 264 H N 1.389 120.495 119.070 0.060 0.000 2.353 264 H HA -0.250 4.306 4.556 -0.001 0.000 0.300 264 H C 2.394 177.758 175.328 0.061 0.000 1.090 264 H CA 2.289 58.372 56.048 0.059 0.000 1.327 264 H CB -0.136 29.648 29.762 0.037 0.000 1.383 264 H HN 0.633 nan 8.280 nan 0.000 0.508 265 C N 1.519 120.896 119.300 0.127 0.000 2.425 265 C HA -0.022 4.438 4.460 -0.001 0.000 0.277 265 C C 3.165 178.162 174.990 0.013 0.000 1.280 265 C CA 0.968 60.030 59.018 0.073 0.000 1.744 265 C CB -1.297 26.504 27.740 0.102 0.000 1.989 265 C HN 0.531 nan 8.230 nan 0.000 0.491 266 L N -0.368 120.888 121.223 0.055 0.000 2.141 266 L HA -0.104 4.236 4.340 -0.001 0.000 0.209 266 L C 2.974 179.919 176.870 0.125 0.000 1.094 266 L CA 1.060 55.971 54.840 0.118 0.000 0.763 266 L CB -0.450 41.714 42.059 0.174 0.000 0.908 266 L HN 0.395 nan 8.230 nan 0.000 0.437 267 R N -0.307 120.227 120.500 0.057 0.000 2.235 267 R HA -0.081 4.259 4.340 -0.001 0.000 0.213 267 R C 1.435 177.672 176.300 -0.106 0.000 1.059 267 R CA 0.552 56.617 56.100 -0.058 0.000 0.997 267 R CB 0.011 30.259 30.300 -0.088 0.000 0.884 267 R HN 0.271 nan 8.270 nan 0.000 0.462 268 E N 0.499 120.620 120.200 -0.131 0.000 2.479 268 E HA 0.052 4.402 4.350 -0.001 0.000 0.193 268 E C -0.026 176.557 176.600 -0.029 0.000 1.049 268 E CA 0.434 56.773 56.400 -0.102 0.000 0.870 268 E CB 0.314 29.933 29.700 -0.134 0.000 0.944 268 E HN 0.060 nan 8.360 nan 0.000 0.492 269 K N 1.181 121.580 120.400 -0.001 0.000 2.118 269 K HA 0.270 4.590 4.320 -0.001 0.000 0.264 269 K C 0.353 176.984 176.600 0.051 0.000 1.000 269 K CA -0.399 55.907 56.287 0.031 0.000 0.929 269 K CB 1.320 33.848 32.500 0.046 0.000 1.021 269 K HN -0.127 nan 8.250 nan 0.000 0.463 270 K N 2.100 122.535 120.400 0.059 0.000 2.295 270 K HA 0.055 4.375 4.320 -0.001 0.000 0.270 270 K C -1.605 175.076 176.600 0.136 0.000 1.011 270 K CA -1.516 54.813 56.287 0.070 0.000 0.953 270 K CB 0.297 32.830 32.500 0.055 0.000 0.956 270 K HN 0.171 nan 8.250 nan 0.000 0.477 271 P HA -0.226 nan 4.420 nan 0.000 0.217 271 P C 0.885 178.387 177.300 0.337 0.000 1.151 271 P CA 1.220 64.527 63.100 0.346 0.000 0.849 271 P CB 0.263 31.982 31.700 0.032 0.000 0.787 272 Q N -0.245 119.663 119.800 0.181 0.000 2.482 272 Q HA -0.098 4.241 4.340 -0.001 0.000 0.209 272 Q C 1.530 177.623 176.000 0.155 0.000 0.961 272 Q CA 1.154 57.055 55.803 0.164 0.000 0.945 272 Q CB -0.706 28.094 28.738 0.105 0.000 1.012 272 Q HN 0.357 nan 8.270 nan 0.000 0.515 273 E N -1.224 119.061 120.200 0.143 0.000 2.216 273 E HA -0.051 4.299 4.350 -0.001 0.000 0.192 273 E C 1.187 177.848 176.600 0.102 0.000 0.973 273 E CA 0.279 56.745 56.400 0.110 0.000 0.851 273 E CB 0.183 29.933 29.700 0.084 0.000 0.804 273 E HN 0.223 nan 8.360 nan 0.000 0.477 274 L N 0.968 122.246 121.223 0.092 0.000 2.109 274 L HA -0.096 4.244 4.340 -0.001 0.000 0.207 274 L C 2.189 179.099 176.870 0.067 0.000 1.086 274 L CA 1.379 56.223 54.840 0.006 0.000 0.760 274 L CB -0.376 41.573 42.059 -0.182 0.000 0.910 274 L HN 0.141 nan 8.230 nan 0.000 0.437 275 I N -0.644 120.026 120.570 0.167 0.000 2.394 275 I HA -0.248 3.921 4.170 -0.001 0.000 0.251 275 I C 1.800 178.084 176.117 0.278 0.000 1.136 275 I CA 0.935 62.387 61.300 0.254 0.000 1.425 275 I CB -0.434 37.771 38.000 0.340 0.000 1.079 275 I HN 0.262 nan 8.210 nan 0.000 0.425 276 D N 0.643 121.176 120.400 0.222 0.000 2.219 276 D HA -0.106 4.534 4.640 -0.001 0.000 0.205 276 D C 2.006 178.431 176.300 0.207 0.000 0.970 276 D CA 1.475 55.606 54.000 0.218 0.000 0.851 276 D CB 0.197 41.090 40.800 0.155 0.000 0.943 276 D HN 0.400 nan 8.370 nan 0.000 0.488 277 V N -2.323 117.692 119.914 0.168 0.000 3.605 277 V HA 0.145 4.265 4.120 -0.001 0.000 0.284 277 V C 1.956 178.136 176.094 0.144 0.000 1.386 277 V CA 0.084 62.472 62.300 0.146 0.000 1.053 277 V CB 0.313 32.198 31.823 0.103 0.000 0.857 277 V HN -0.071 nan 8.190 nan 0.000 0.436 278 E N 1.001 121.284 120.200 0.137 0.000 2.113 278 E HA -0.322 4.028 4.350 -0.001 0.000 0.210 278 E C 1.580 178.127 176.600 -0.089 0.000 1.040 278 E CA 2.961 59.414 56.400 0.089 0.000 0.847 278 E CB -0.342 29.349 29.700 -0.014 0.000 0.755 278 E HN 0.790 nan 8.360 nan 0.000 0.459 279 W N 0.810 122.108 121.300 -0.004 0.000 2.721 279 W HA -0.012 4.648 4.660 -0.000 0.000 0.245 279 W C 1.712 178.195 176.519 -0.060 0.000 1.276 279 W CA 0.265 57.562 57.345 -0.081 0.000 1.342 279 W CB -0.037 29.339 29.460 -0.140 0.000 1.135 279 W HN 0.143 nan 8.180 nan 0.000 0.654 280 N N 0.054 118.837 118.700 0.139 0.000 2.494 280 N HA -0.089 4.651 4.740 -0.001 0.000 0.182 280 N C 1.751 177.268 175.510 0.011 0.000 1.076 280 N CA 1.376 54.475 53.050 0.082 0.000 0.908 280 N CB -0.492 38.040 38.487 0.075 0.000 0.967 280 N HN 0.262 nan 8.380 nan 0.000 0.449 281 V N -1.652 118.234 119.914 -0.047 0.000 3.623 281 V HA 0.213 4.332 4.120 -0.001 0.000 0.271 281 V C 0.801 176.790 176.094 -0.175 0.000 1.248 281 V CA -0.022 62.207 62.300 -0.119 0.000 1.156 281 V CB -0.806 30.914 31.823 -0.171 0.000 0.870 281 V HN 0.002 nan 8.190 nan 0.000 0.453 282 L N 2.340 123.483 121.223 -0.132 0.000 2.453 282 L HA 0.222 4.562 4.340 -0.001 0.000 0.272 282 L C -0.185 176.581 176.870 -0.174 0.000 1.182 282 L CA -0.932 53.826 54.840 -0.137 0.000 0.858 282 L CB 0.797 42.841 42.059 -0.024 0.000 1.120 282 L HN 0.164 nan 8.230 nan 0.000 0.474 283 P HA -0.065 nan 4.420 nan 0.000 0.221 283 P C -0.195 176.680 177.300 -0.708 0.000 1.150 283 P CA 1.218 63.964 63.100 -0.590 0.000 0.800 283 P CB 0.289 31.480 31.700 -0.848 0.000 0.787 284 F N -0.565 119.383 119.950 -0.004 0.000 2.603 284 F HA 0.350 4.877 4.527 -0.001 0.000 0.317 284 F C 0.321 176.130 175.800 0.014 0.000 1.066 284 F CA -1.747 56.258 58.000 0.008 0.000 0.941 284 F CB 0.371 39.382 39.000 0.017 0.000 1.291 284 F HN -0.336 nan 8.300 nan 0.000 0.472 285 D N 1.461 122.006 120.400 0.243 0.000 2.358 285 D HA 0.381 5.021 4.640 -0.001 0.000 0.258 285 D C -0.543 175.835 176.300 0.129 0.000 1.223 285 D CA 0.444 54.525 54.000 0.134 0.000 0.886 285 D CB 0.523 41.381 40.800 0.096 0.000 1.120 285 D HN 0.620 nan 8.370 nan 0.000 0.482 286 S N 3.240 119.003 115.700 0.106 0.000 2.688 286 S HA 0.631 5.100 4.470 -0.001 0.000 0.275 286 S C -0.706 173.930 174.600 0.060 0.000 1.175 286 S CA -1.046 57.205 58.200 0.086 0.000 0.818 286 S CB 1.168 64.440 63.200 0.121 0.000 1.157 286 S HN 0.484 nan 8.310 nan 0.000 0.482 287 I N 0.616 121.216 120.570 0.051 0.000 2.582 287 I HA 0.630 4.800 4.170 -0.001 0.000 0.292 287 I C -1.159 174.995 176.117 0.062 0.000 1.066 287 I CA -0.816 60.523 61.300 0.064 0.000 1.053 287 I CB 1.410 39.445 38.000 0.058 0.000 1.241 287 I HN 0.902 nan 8.210 nan 0.000 0.421 288 F N 5.907 125.740 119.950 -0.196 0.000 3.056 288 F HA -0.182 4.345 4.527 -0.001 0.000 0.301 288 F C -0.880 174.431 175.800 -0.814 0.000 0.907 288 F CA 0.401 58.031 58.000 -0.616 0.000 1.113 288 F CB -0.707 37.790 39.000 -0.838 0.000 1.123 288 F HN 0.537 nan 8.300 nan 0.000 0.661 289 R N 0.529 120.694 120.500 -0.558 0.000 2.673 289 R HA 0.668 5.008 4.340 -0.001 0.000 0.281 289 R C -1.004 174.922 176.300 -0.625 0.000 0.991 289 R CA -0.558 55.218 56.100 -0.540 0.000 0.896 289 R CB 1.412 31.644 30.300 -0.114 0.000 1.201 289 R HN -0.018 nan 8.270 nan 0.000 0.457 290 F N -0.703 119.346 119.950 0.165 0.000 2.546 290 F HA 0.411 4.938 4.527 -0.001 0.000 0.320 290 F C 1.650 177.322 175.800 -0.213 0.000 1.076 290 F CA -0.889 57.102 58.000 -0.013 0.000 0.928 290 F CB 1.536 40.633 39.000 0.162 0.000 1.189 290 F HN 0.363 nan 8.300 nan 0.000 0.465 291 S N 0.753 116.247 115.700 -0.345 0.000 2.426 291 S HA -0.103 4.366 4.470 -0.001 0.000 0.220 291 S C 0.141 174.323 174.600 -0.695 0.000 1.040 291 S CA 1.315 59.124 58.200 -0.651 0.000 1.094 291 S CB -0.333 62.310 63.200 -0.929 0.000 1.072 291 S HN 0.348 nan 8.310 nan 0.000 0.415 292 F N 1.619 121.528 119.950 -0.068 0.000 2.385 292 F HA 0.552 5.078 4.527 -0.001 0.000 0.360 292 F C 0.171 175.955 175.800 -0.026 0.000 1.122 292 F CA -0.788 57.214 58.000 0.003 0.000 1.090 292 F CB 0.856 39.892 39.000 0.060 0.000 1.150 292 F HN -0.000 nan 8.300 nan 0.000 0.472 293 V N 0.865 120.763 119.914 -0.027 0.000 3.156 293 V HA 0.730 4.850 4.120 -0.001 0.000 0.310 293 V C -2.919 172.954 176.094 -0.367 0.000 1.234 293 V CA -3.303 58.732 62.300 -0.442 0.000 1.065 293 V CB 1.837 33.523 31.823 -0.229 0.000 1.088 293 V HN 0.288 nan 8.190 nan 0.000 0.451 294 P HA 0.258 nan 4.420 nan 0.000 0.267 294 P C -0.901 176.320 177.300 -0.131 0.000 1.200 294 P CA 0.329 63.282 63.100 -0.244 0.000 0.772 294 P CB 0.725 32.187 31.700 -0.397 0.000 0.855 295 V N 4.319 124.233 119.914 0.001 0.000 2.656 295 V HA 0.350 4.470 4.120 -0.001 0.000 0.307 295 V C -0.526 175.607 176.094 0.064 0.000 1.051 295 V CA -0.988 61.302 62.300 -0.017 0.000 0.893 295 V CB 1.447 33.272 31.823 0.004 0.000 0.999 295 V HN 0.226 nan 8.190 nan 0.000 0.426 296 I N 7.009 127.553 120.570 -0.044 0.000 2.453 296 I HA 0.169 4.338 4.170 -0.001 0.000 0.300 296 I C 1.075 177.210 176.117 0.029 0.000 1.159 296 I CA 0.392 61.702 61.300 0.015 0.000 1.379 296 I CB -0.153 37.771 38.000 -0.127 0.000 1.460 296 I HN 0.884 nan 8.210 nan 0.000 0.601 297 D N 3.496 123.974 120.400 0.130 0.000 2.346 297 D HA 0.031 4.670 4.640 -0.001 0.000 0.206 297 D C 1.426 177.740 176.300 0.024 0.000 1.001 297 D CA 0.925 54.921 54.000 -0.007 0.000 0.871 297 D CB 0.442 41.328 40.800 0.143 0.000 0.943 297 D HN 0.642 nan 8.370 nan 0.000 0.518 298 G N 0.201 109.072 108.800 0.119 0.000 2.195 298 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.246 298 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.246 298 G C 0.840 175.811 174.900 0.119 0.000 0.984 298 G CA 0.472 45.637 45.100 0.109 0.000 0.633 298 G HN 0.457 nan 8.290 nan 0.000 0.525 299 E N -1.217 119.064 120.200 0.136 0.000 2.184 299 E HA 0.422 4.772 4.350 -0.001 0.000 0.194 299 E C 1.787 178.399 176.600 0.020 0.000 0.978 299 E CA -0.172 56.278 56.400 0.084 0.000 0.998 299 E CB -0.039 29.725 29.700 0.107 0.000 1.240 299 E HN 0.170 nan 8.360 nan 0.000 0.492 300 F N 0.868 120.715 119.950 -0.172 0.000 2.154 300 F HA -0.117 4.409 4.527 -0.000 0.000 0.301 300 F C 0.168 175.605 175.800 -0.605 0.000 1.087 300 F CA 1.262 58.997 58.000 -0.442 0.000 1.274 300 F CB 0.223 38.837 39.000 -0.644 0.000 1.009 300 F HN -0.092 nan 8.300 nan 0.000 0.485 301 F N 0.223 120.311 119.950 0.230 0.000 2.403 301 F HA 0.356 4.883 4.527 -0.001 0.000 0.355 301 F C -1.528 174.310 175.800 0.063 0.000 1.119 301 F CA -2.870 55.208 58.000 0.130 0.000 1.007 301 F CB 0.638 39.703 39.000 0.108 0.000 1.194 301 F HN -0.278 nan 8.300 nan 0.000 0.443 302 P HA -0.154 nan 4.420 nan 0.000 0.214 302 P C 0.752 178.115 177.300 0.104 0.000 1.169 302 P CA 2.262 65.424 63.100 0.103 0.000 0.908 302 P CB 0.168 31.910 31.700 0.070 0.000 0.791 303 T N -5.445 109.174 114.554 0.109 0.000 2.572 303 T HA 0.456 4.806 4.350 -0.001 0.000 0.244 303 T C 0.188 174.920 174.700 0.054 0.000 0.860 303 T CA -0.365 61.776 62.100 0.068 0.000 1.125 303 T CB 0.275 69.170 68.868 0.045 0.000 1.491 303 T HN 0.033 nan 8.240 nan 0.000 0.532 304 S N -0.173 115.536 115.700 0.015 0.000 2.603 304 S HA 0.327 4.796 4.470 -0.001 0.000 0.268 304 S C 1.344 175.930 174.600 -0.023 0.000 1.317 304 S CA -0.828 57.355 58.200 -0.027 0.000 1.012 304 S CB -0.164 63.018 63.200 -0.030 0.000 0.926 304 S HN 0.616 nan 8.310 nan 0.000 0.539 305 L N 0.401 121.572 121.223 -0.087 0.000 2.093 305 L HA -0.020 4.320 4.340 -0.001 0.000 0.208 305 L C 2.894 179.772 176.870 0.013 0.000 1.085 305 L CA 1.407 56.207 54.840 -0.068 0.000 0.755 305 L CB -0.682 41.272 42.059 -0.175 0.000 0.904 305 L HN 0.737 nan 8.230 nan 0.000 0.435 306 E N 0.655 120.862 120.200 0.011 0.000 2.077 306 E HA -0.196 4.153 4.350 -0.001 0.000 0.193 306 E C 2.320 178.967 176.600 0.079 0.000 0.989 306 E CA 1.753 58.195 56.400 0.069 0.000 0.800 306 E CB -0.129 29.601 29.700 0.050 0.000 0.746 306 E HN 0.450 nan 8.360 nan 0.000 0.452 307 S N -0.744 114.987 115.700 0.052 0.000 2.428 307 S HA -0.096 4.374 4.470 -0.001 0.000 0.230 307 S C 2.114 176.749 174.600 0.060 0.000 1.014 307 S CA 1.011 59.242 58.200 0.051 0.000 0.957 307 S CB -0.274 62.946 63.200 0.034 0.000 0.784 307 S HN 0.216 nan 8.310 nan 0.000 0.499 308 M N 0.802 120.450 119.600 0.080 0.000 2.132 308 M HA 0.096 4.576 4.480 -0.001 0.000 0.263 308 M C 2.088 178.503 176.300 0.191 0.000 1.065 308 M CA 1.288 56.660 55.300 0.120 0.000 1.122 308 M CB -0.529 32.167 32.600 0.159 0.000 1.365 308 M HN 0.330 nan 8.290 nan 0.000 0.411 309 L N -0.269 121.060 121.223 0.177 0.000 2.217 309 L HA -0.180 4.160 4.340 -0.001 0.000 0.211 309 L C 2.047 179.008 176.870 0.152 0.000 1.107 309 L CA 0.701 55.657 54.840 0.194 0.000 0.783 309 L CB -0.636 41.480 42.059 0.096 0.000 0.919 309 L HN 0.371 nan 8.230 nan 0.000 0.442 310 N N -0.532 118.228 118.700 0.100 0.000 2.376 310 N HA -0.080 4.659 4.740 -0.001 0.000 0.177 310 N C 1.874 177.417 175.510 0.055 0.000 1.024 310 N CA 1.388 54.499 53.050 0.103 0.000 0.893 310 N CB 0.211 38.757 38.487 0.100 0.000 0.980 310 N HN 0.307 nan 8.380 nan 0.000 0.439 311 S N -1.011 114.662 115.700 -0.045 0.000 2.575 311 S HA 0.228 4.698 4.470 -0.001 0.000 0.215 311 S C 1.354 175.700 174.600 -0.423 0.000 0.966 311 S CA 0.436 58.569 58.200 -0.111 0.000 0.911 311 S CB 0.348 63.510 63.200 -0.064 0.000 0.780 311 S HN 0.312 nan 8.310 nan 0.000 0.514 312 G N 2.033 110.282 108.800 -0.918 0.000 2.143 312 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.248 312 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.248 312 G C -0.046 174.069 174.900 -1.308 0.000 0.991 312 G CA 0.079 44.040 45.100 -1.899 0.000 0.689 312 G HN 0.602 nan 8.290 nan 0.000 0.522 313 N N 0.628 118.931 118.700 -0.661 0.000 2.739 313 N HA 0.528 5.268 4.740 -0.001 0.000 0.266 313 N C -0.224 175.220 175.510 -0.110 0.000 1.168 313 N CA -0.070 52.786 53.050 -0.323 0.000 1.055 313 N CB -0.845 37.587 38.487 -0.092 0.000 1.393 313 N HN 0.841 nan 8.380 nan 0.000 0.514 314 F N -0.827 119.078 119.950 -0.075 0.000 2.843 314 F HA 0.285 4.812 4.527 -0.000 0.000 0.323 314 F C -0.526 175.297 175.800 0.039 0.000 1.142 314 F CA -1.354 56.662 58.000 0.027 0.000 0.925 314 F CB 0.434 39.500 39.000 0.110 0.000 1.277 314 F HN -0.062 nan 8.300 nan 0.000 0.446 315 K N 2.224 122.851 120.400 0.378 0.000 2.402 315 K HA 0.106 4.426 4.320 -0.001 0.000 0.279 315 K C -0.865 175.963 176.600 0.380 0.000 1.082 315 K CA 0.058 56.495 56.287 0.250 0.000 1.080 315 K CB 0.249 32.848 32.500 0.165 0.000 0.899 315 K HN 0.644 nan 8.250 nan 0.000 0.469 316 K N 3.127 123.632 120.400 0.175 0.000 2.284 316 K HA 0.103 4.423 4.320 -0.001 0.000 0.287 316 K C 0.115 176.834 176.600 0.199 0.000 1.081 316 K CA -0.186 56.201 56.287 0.167 0.000 0.910 316 K CB 1.672 34.178 32.500 0.011 0.000 1.088 316 K HN 0.606 nan 8.250 nan 0.000 0.478 317 T N 1.449 116.211 114.554 0.347 0.000 2.606 317 T HA 0.313 4.663 4.350 -0.001 0.000 0.280 317 T C -1.357 173.546 174.700 0.339 0.000 1.074 317 T CA -0.643 61.614 62.100 0.262 0.000 1.140 317 T CB 0.676 69.674 68.868 0.217 0.000 1.631 317 T HN 0.414 nan 8.240 nan 0.000 0.464 318 Q N 0.807 120.783 119.800 0.294 0.000 2.301 318 Q HA 0.798 5.138 4.340 -0.001 0.000 0.267 318 Q C -0.550 175.726 176.000 0.460 0.000 1.035 318 Q CA -0.630 55.401 55.803 0.379 0.000 0.856 318 Q CB 1.931 30.904 28.738 0.391 0.000 1.337 318 Q HN 0.728 nan 8.270 nan 0.000 0.450 319 I N -1.611 119.175 120.570 0.360 0.000 2.894 319 I HA 0.687 4.856 4.170 -0.001 0.000 0.302 319 I C -1.568 174.466 176.117 -0.138 0.000 1.188 319 I CA -1.393 59.998 61.300 0.150 0.000 1.014 319 I CB 1.980 39.905 38.000 -0.126 0.000 1.242 319 I HN 0.566 nan 8.210 nan 0.000 0.430 320 L N 6.503 127.469 121.223 -0.429 0.000 2.372 320 L HA 0.735 5.075 4.340 -0.001 0.000 0.274 320 L C -1.322 175.386 176.870 -0.270 0.000 0.988 320 L CA -0.489 53.987 54.840 -0.606 0.000 0.833 320 L CB 1.515 42.730 42.059 -1.407 0.000 1.236 320 L HN 0.792 nan 8.230 nan 0.000 0.410 321 L N 2.359 123.532 121.223 -0.083 0.000 2.409 321 L HA 1.127 5.467 4.340 -0.001 0.000 0.255 321 L C -0.683 176.062 176.870 -0.210 0.000 1.027 321 L CA -0.484 54.337 54.840 -0.031 0.000 0.834 321 L CB 2.067 44.093 42.059 -0.054 0.000 1.426 321 L HN 0.631 nan 8.230 nan 0.000 0.411 322 G N -0.062 108.421 108.800 -0.529 0.000 2.488 322 G HA2 0.599 4.558 3.960 -0.001 0.000 0.301 322 G HA3 0.599 4.558 3.960 -0.001 0.000 0.301 322 G C -1.486 173.084 174.900 -0.550 0.000 1.339 322 G CA 0.006 44.457 45.100 -1.082 0.000 0.803 322 G HN 1.319 nan 8.290 nan 0.000 0.482 323 V N -2.520 117.215 119.914 -0.299 0.000 3.160 323 V HA 0.830 4.950 4.120 -0.001 0.000 0.310 323 V C -1.000 175.166 176.094 0.121 0.000 1.181 323 V CA -1.465 60.863 62.300 0.046 0.000 1.047 323 V CB 1.929 33.831 31.823 0.132 0.000 1.068 323 V HN 0.623 nan 8.190 nan 0.000 0.441 324 N N 1.081 119.878 118.700 0.162 0.000 2.492 324 N HA 0.394 5.133 4.740 -0.001 0.000 0.289 324 N C 0.621 176.102 175.510 -0.048 0.000 1.133 324 N CA -0.458 52.664 53.050 0.121 0.000 0.961 324 N CB 1.812 40.452 38.487 0.254 0.000 1.186 324 N HN 0.928 nan 8.380 nan 0.000 0.493 325 K N 0.301 120.554 120.400 -0.245 0.000 2.063 325 K HA -0.096 4.224 4.320 -0.001 0.000 0.208 325 K C -0.620 176.063 176.600 0.137 0.000 1.048 325 K CA 1.300 57.513 56.287 -0.124 0.000 0.928 325 K CB 0.205 32.645 32.500 -0.101 0.000 0.713 325 K HN 0.514 nan 8.250 nan 0.000 0.442 326 D N 1.127 121.606 120.400 0.133 0.000 2.634 326 D HA 0.042 4.682 4.640 -0.001 0.000 0.318 326 D C 0.268 176.686 176.300 0.197 0.000 1.226 326 D CA -0.081 54.016 54.000 0.162 0.000 0.899 326 D CB 1.297 42.170 40.800 0.123 0.000 1.025 326 D HN 0.159 nan 8.370 nan 0.000 0.501 327 E N 0.627 120.962 120.200 0.225 0.000 2.077 327 E HA -0.131 4.219 4.350 -0.001 0.000 0.193 327 E C 2.032 178.787 176.600 0.259 0.000 0.989 327 E CA 0.770 57.335 56.400 0.276 0.000 0.800 327 E CB 0.029 29.868 29.700 0.231 0.000 0.746 327 E HN 0.439 nan 8.360 nan 0.000 0.452 328 G N 1.862 110.786 108.800 0.207 0.000 2.433 328 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.216 328 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.216 328 G C 1.749 176.818 174.900 0.281 0.000 1.186 328 G CA 2.063 47.300 45.100 0.229 0.000 0.779 328 G HN 0.407 nan 8.290 nan 0.000 0.543 329 S N 0.657 116.482 115.700 0.209 0.000 2.414 329 S HA -0.346 4.124 4.470 -0.001 0.000 0.241 329 S C 2.102 176.752 174.600 0.082 0.000 1.079 329 S CA 1.937 60.240 58.200 0.171 0.000 1.087 329 S CB -0.806 62.416 63.200 0.036 0.000 0.927 329 S HN 0.206 nan 8.310 nan 0.000 0.456 330 F N 1.863 121.739 119.950 -0.122 0.000 2.202 330 F HA 0.053 4.580 4.527 -0.000 0.000 0.301 330 F C 1.753 177.275 175.800 -0.464 0.000 1.082 330 F CA 0.475 58.236 58.000 -0.399 0.000 1.313 330 F CB -0.644 37.984 39.000 -0.619 0.000 1.024 330 F HN 0.217 nan 8.300 nan 0.000 0.495 331 F N -1.142 118.827 119.950 0.032 0.000 2.473 331 F HA 0.023 4.550 4.527 -0.000 0.000 0.294 331 F C 2.121 177.903 175.800 -0.029 0.000 1.103 331 F CA 0.465 58.426 58.000 -0.064 0.000 1.442 331 F CB -0.973 37.910 39.000 -0.195 0.000 1.097 331 F HN -0.167 nan 8.300 nan 0.000 0.547 332 L N -0.607 120.642 121.223 0.043 0.000 2.056 332 L HA -0.184 4.156 4.340 -0.001 0.000 0.207 332 L C 2.461 179.189 176.870 -0.237 0.000 1.078 332 L CA 0.584 55.205 54.840 -0.366 0.000 0.749 332 L CB -0.667 40.813 42.059 -0.965 0.000 0.901 332 L HN 0.153 nan 8.230 nan 0.000 0.433 333 L N -0.654 120.638 121.223 0.117 0.000 1.971 333 L HA -0.286 4.054 4.340 -0.001 0.000 0.215 333 L C 2.377 179.449 176.870 0.336 0.000 1.072 333 L CA 2.116 57.194 54.840 0.395 0.000 0.758 333 L CB -0.839 41.486 42.059 0.444 0.000 0.889 333 L HN 0.130 nan 8.230 nan 0.000 0.433 334 Y N -0.699 119.687 120.300 0.143 0.000 2.439 334 Y HA 0.112 4.661 4.550 -0.000 0.000 0.292 334 Y C 2.291 178.205 175.900 0.024 0.000 1.130 334 Y CA 1.065 59.224 58.100 0.099 0.000 1.254 334 Y CB -0.402 38.088 38.460 0.051 0.000 1.000 334 Y HN 0.335 nan 8.280 nan 0.000 0.554 335 G N -1.793 107.102 108.800 0.157 0.000 2.599 335 G HA2 0.357 4.316 3.960 -0.001 0.000 0.196 335 G HA3 0.357 4.316 3.960 -0.001 0.000 0.196 335 G C 0.143 175.072 174.900 0.049 0.000 1.148 335 G CA 0.330 45.476 45.100 0.077 0.000 0.809 335 G HN 0.272 nan 8.290 nan 0.000 0.764 336 A N 2.327 125.152 122.820 0.008 0.000 2.366 336 A HA 0.660 4.980 4.320 -0.001 0.000 0.272 336 A C -2.206 175.499 177.584 0.201 0.000 1.135 336 A CA -1.265 50.797 52.037 0.041 0.000 0.804 336 A CB 0.322 19.258 19.000 -0.107 0.000 1.064 336 A HN 0.138 nan 8.150 nan 0.000 0.499 337 P HA 0.278 nan 4.420 nan 0.000 0.271 337 P C 0.781 178.195 177.300 0.191 0.000 1.220 337 P CA 1.234 64.427 63.100 0.155 0.000 0.768 337 P CB 1.167 32.919 31.700 0.086 0.000 0.848 338 G N 2.299 111.171 108.800 0.120 0.000 2.380 338 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.197 338 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.197 338 G C -0.348 174.421 174.900 -0.219 0.000 1.001 338 G CA -0.575 44.482 45.100 -0.072 0.000 0.668 338 G HN 0.398 nan 8.290 nan 0.000 0.483 339 F N 2.339 122.223 119.950 -0.111 0.000 2.394 339 F HA 0.777 5.304 4.527 -0.000 0.000 0.340 339 F C 0.662 176.455 175.800 -0.012 0.000 1.105 339 F CA -0.582 57.309 58.000 -0.182 0.000 1.124 339 F CB 2.088 41.011 39.000 -0.127 0.000 1.145 339 F HN -0.006 nan 8.300 nan 0.000 0.505 340 S N 1.629 117.425 115.700 0.161 0.000 2.541 340 S HA 0.242 4.712 4.470 -0.001 0.000 0.280 340 S C 0.657 175.492 174.600 0.390 0.000 1.112 340 S CA -1.056 57.284 58.200 0.233 0.000 0.925 340 S CB 2.087 65.348 63.200 0.101 0.000 1.067 340 S HN 0.732 nan 8.310 nan 0.000 0.479 341 K N 0.976 121.567 120.400 0.318 0.000 2.362 341 K HA -0.052 4.267 4.320 -0.001 0.000 0.200 341 K C -0.291 176.394 176.600 0.141 0.000 1.046 341 K CA 1.201 57.604 56.287 0.194 0.000 0.952 341 K CB 0.100 32.483 32.500 -0.195 0.000 0.753 341 K HN 0.477 nan 8.250 nan 0.000 0.466 342 D N 0.546 121.028 120.400 0.136 0.000 2.538 342 D HA 0.047 4.687 4.640 -0.001 0.000 0.231 342 D C -0.360 176.001 176.300 0.101 0.000 1.229 342 D CA 0.089 54.142 54.000 0.087 0.000 0.828 342 D CB 0.949 41.767 40.800 0.031 0.000 1.035 342 D HN 0.180 nan 8.370 nan 0.000 0.495 343 S N -1.267 114.520 115.700 0.146 0.000 2.661 343 S HA 0.334 4.804 4.470 -0.001 0.000 0.285 343 S C 0.683 175.322 174.600 0.065 0.000 1.138 343 S CA -0.721 57.518 58.200 0.065 0.000 0.855 343 S CB 2.436 65.626 63.200 -0.016 0.000 1.136 343 S HN -0.154 nan 8.310 nan 0.000 0.484 344 E N 0.769 120.963 120.200 -0.010 0.000 2.472 344 E HA 0.031 4.381 4.350 -0.001 0.000 0.200 344 E C -0.431 175.955 176.600 -0.358 0.000 1.046 344 E CA 0.465 56.841 56.400 -0.040 0.000 0.871 344 E CB -0.280 29.404 29.700 -0.025 0.000 0.806 344 E HN 0.703 nan 8.360 nan 0.000 0.533 345 S N 1.347 116.776 115.700 -0.451 0.000 3.524 345 S HA -0.183 4.287 4.470 -0.001 0.000 0.377 345 S C -0.308 173.899 174.600 -0.656 0.000 0.949 345 S CA 0.735 58.510 58.200 -0.710 0.000 1.264 345 S CB -1.082 61.316 63.200 -1.337 0.000 0.918 345 S HN 0.260 nan 8.310 nan 0.000 0.517 346 K N 1.084 121.249 120.400 -0.392 0.000 2.298 346 K HA 0.390 4.710 4.320 -0.001 0.000 0.280 346 K C 0.309 176.712 176.600 -0.328 0.000 1.032 346 K CA -0.342 55.765 56.287 -0.300 0.000 0.958 346 K CB 0.519 32.912 32.500 -0.178 0.000 0.978 346 K HN 0.214 nan 8.250 nan 0.000 0.472 347 I N 2.314 122.704 120.570 -0.300 0.000 2.412 347 I HA 0.107 4.277 4.170 -0.001 0.000 0.296 347 I C 0.821 176.876 176.117 -0.103 0.000 0.987 347 I CA -0.467 60.691 61.300 -0.236 0.000 1.180 347 I CB 1.303 39.160 38.000 -0.238 0.000 1.340 347 I HN 0.681 nan 8.210 nan 0.000 0.455 348 S N 6.367 122.027 115.700 -0.067 0.000 2.645 348 S HA 0.404 4.874 4.470 -0.001 0.000 0.266 348 S C 1.231 175.846 174.600 0.025 0.000 1.258 348 S CA -0.605 57.575 58.200 -0.033 0.000 0.990 348 S CB 1.684 64.868 63.200 -0.027 0.000 0.967 348 S HN 0.496 nan 8.310 nan 0.000 0.556 349 R N 1.436 121.941 120.500 0.007 0.000 2.096 349 R HA -0.116 4.224 4.340 -0.001 0.000 0.240 349 R C 2.254 178.629 176.300 0.125 0.000 1.139 349 R CA 2.036 58.164 56.100 0.047 0.000 0.952 349 R CB -1.067 29.245 30.300 0.021 0.000 0.854 349 R HN 0.877 nan 8.270 nan 0.000 0.436 350 E N 0.616 120.864 120.200 0.079 0.000 2.058 350 E HA -0.197 4.153 4.350 -0.001 0.000 0.194 350 E C 1.518 178.172 176.600 0.090 0.000 0.997 350 E CA 1.330 57.776 56.400 0.078 0.000 0.801 350 E CB -0.488 29.239 29.700 0.046 0.000 0.746 350 E HN 0.307 nan 8.360 nan 0.000 0.450 351 D N 0.164 120.612 120.400 0.081 0.000 2.183 351 D HA -0.064 4.575 4.640 -0.001 0.000 0.203 351 D C 1.645 178.021 176.300 0.127 0.000 0.969 351 D CA 0.375 54.423 54.000 0.082 0.000 0.842 351 D CB -0.466 40.356 40.800 0.037 0.000 0.957 351 D HN 0.136 nan 8.370 nan 0.000 0.484 352 F N 0.901 120.859 119.950 0.013 0.000 2.102 352 F HA -0.142 4.384 4.527 -0.001 0.000 0.298 352 F C 2.171 177.996 175.800 0.041 0.000 1.105 352 F CA 1.358 59.374 58.000 0.027 0.000 1.239 352 F CB -0.165 38.828 39.000 -0.011 0.000 0.991 352 F HN -0.150 nan 8.300 nan 0.000 0.474 353 M N -0.619 119.078 119.600 0.162 0.000 2.229 353 M HA -0.173 4.306 4.480 -0.001 0.000 0.264 353 M C 2.169 178.453 176.300 -0.026 0.000 1.063 353 M CA 1.460 56.792 55.300 0.053 0.000 1.114 353 M CB -0.436 32.258 32.600 0.156 0.000 1.387 353 M HN 0.066 nan 8.290 nan 0.000 0.420 354 S N 0.439 116.143 115.700 0.006 0.000 2.423 354 S HA -0.046 4.424 4.470 -0.001 0.000 0.231 354 S C 1.953 176.532 174.600 -0.035 0.000 1.014 354 S CA 1.173 59.374 58.200 0.001 0.000 0.965 354 S CB -0.553 62.664 63.200 0.030 0.000 0.785 354 S HN 0.683 nan 8.310 nan 0.000 0.495 355 G N 1.458 110.212 108.800 -0.076 0.000 2.404 355 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.215 355 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.215 355 G C 1.401 176.190 174.900 -0.186 0.000 1.174 355 G CA 0.900 45.932 45.100 -0.114 0.000 0.780 355 G HN 0.430 nan 8.290 nan 0.000 0.537 356 V N 0.893 120.631 119.914 -0.292 0.000 2.490 356 V HA -0.115 4.005 4.120 -0.001 0.000 0.250 356 V C 2.642 178.660 176.094 -0.126 0.000 1.061 356 V CA 2.104 64.266 62.300 -0.230 0.000 1.064 356 V CB -0.276 31.404 31.823 -0.239 0.000 0.670 356 V HN 0.343 nan 8.190 nan 0.000 0.461 357 K N 0.267 120.608 120.400 -0.098 0.000 2.103 357 K HA -0.088 4.232 4.320 -0.001 0.000 0.204 357 K C 1.755 178.312 176.600 -0.073 0.000 1.052 357 K CA 1.405 57.645 56.287 -0.077 0.000 0.945 357 K CB -0.396 32.076 32.500 -0.046 0.000 0.722 357 K HN 0.281 nan 8.250 nan 0.000 0.443 358 L N 0.382 121.573 121.223 -0.053 0.000 2.156 358 L HA 0.009 4.348 4.340 -0.001 0.000 0.208 358 L C 1.997 178.850 176.870 -0.030 0.000 1.095 358 L CA 1.395 56.220 54.840 -0.026 0.000 0.770 358 L CB -0.457 41.596 42.059 -0.010 0.000 0.914 358 L HN 0.107 nan 8.230 nan 0.000 0.439 359 S N -1.631 114.033 115.700 -0.061 0.000 2.395 359 S HA 0.036 4.505 4.470 -0.001 0.000 0.225 359 S C 0.949 175.507 174.600 -0.071 0.000 1.027 359 S CA 0.486 58.651 58.200 -0.058 0.000 0.965 359 S CB 0.134 63.278 63.200 -0.094 0.000 0.812 359 S HN 0.114 nan 8.310 nan 0.000 0.482 360 V N 4.081 123.913 119.914 -0.137 0.000 2.233 360 V HA 0.204 4.324 4.120 -0.001 0.000 0.261 360 V C -1.588 174.334 176.094 -0.285 0.000 1.076 360 V CA -1.427 60.715 62.300 -0.264 0.000 1.001 360 V CB 0.825 32.478 31.823 -0.284 0.000 1.206 360 V HN 0.244 nan 8.190 nan 0.000 0.468 361 P HA -0.188 nan 4.420 nan 0.000 0.219 361 P C 0.986 177.930 177.300 -0.594 0.000 1.146 361 P CA 1.538 64.484 63.100 -0.256 0.000 0.808 361 P CB 0.087 31.768 31.700 -0.031 0.000 0.779 362 H N -1.305 117.494 119.070 -0.451 0.000 2.539 362 H HA 0.521 5.076 4.556 -0.001 0.000 0.269 362 H C 0.411 175.569 175.328 -0.283 0.000 0.980 362 H CA -0.332 55.445 56.048 -0.452 0.000 1.152 362 H CB -0.438 29.216 29.762 -0.180 0.000 1.407 362 H HN -0.020 nan 8.280 nan 0.000 0.564 363 A N 2.329 124.827 122.820 -0.536 0.000 2.331 363 A HA 0.286 4.606 4.320 -0.001 0.000 0.283 363 A C 0.332 177.778 177.584 -0.230 0.000 1.142 363 A CA -0.617 51.200 52.037 -0.367 0.000 0.812 363 A CB 0.512 19.292 19.000 -0.367 0.000 1.074 363 A HN 0.630 nan 8.150 nan 0.000 0.497 364 N N 1.351 119.956 118.700 -0.158 0.000 2.285 364 N HA 0.071 4.810 4.740 -0.001 0.000 0.262 364 N C -0.025 175.434 175.510 -0.085 0.000 1.299 364 N CA -0.234 52.753 53.050 -0.105 0.000 0.930 364 N CB 0.156 38.597 38.487 -0.075 0.000 1.157 364 N HN 0.470 nan 8.380 nan 0.000 0.532 365 D N -1.226 119.142 120.400 -0.053 0.000 2.263 365 D HA -0.087 4.553 4.640 -0.001 0.000 0.208 365 D C 1.568 177.858 176.300 -0.016 0.000 0.971 365 D CA 0.475 54.457 54.000 -0.029 0.000 0.867 365 D CB -0.140 40.651 40.800 -0.014 0.000 0.929 365 D HN 0.453 nan 8.370 nan 0.000 0.492 366 L N 0.237 121.444 121.223 -0.026 0.000 2.072 366 L HA 0.099 4.439 4.340 -0.001 0.000 0.205 366 L C 2.144 179.009 176.870 -0.009 0.000 1.079 366 L CA 1.804 56.638 54.840 -0.011 0.000 0.752 366 L CB -0.859 41.185 42.059 -0.025 0.000 0.906 366 L HN 0.037 nan 8.230 nan 0.000 0.436 367 G N -0.463 108.305 108.800 -0.054 0.000 2.408 367 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.217 367 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.217 367 G C 1.595 176.488 174.900 -0.012 0.000 1.150 367 G CA 0.942 46.000 45.100 -0.069 0.000 0.776 367 G HN 0.425 nan 8.290 nan 0.000 0.542 368 L N 0.512 121.721 121.223 -0.024 0.000 2.127 368 L HA -0.071 4.269 4.340 -0.001 0.000 0.211 368 L C 2.380 179.294 176.870 0.074 0.000 1.089 368 L CA 1.092 55.936 54.840 0.008 0.000 0.757 368 L CB -0.287 41.765 42.059 -0.013 0.000 0.899 368 L HN 0.095 nan 8.230 nan 0.000 0.434 369 D N 0.072 120.519 120.400 0.078 0.000 2.123 369 D HA -0.093 4.546 4.640 -0.001 0.000 0.200 369 D C 2.286 178.678 176.300 0.153 0.000 0.976 369 D CA 1.379 55.450 54.000 0.119 0.000 0.831 369 D CB -0.050 40.803 40.800 0.089 0.000 0.974 369 D HN 0.269 nan 8.370 nan 0.000 0.469 370 A N 0.743 123.661 122.820 0.162 0.000 1.908 370 A HA -0.152 4.167 4.320 -0.001 0.000 0.218 370 A C 2.508 180.234 177.584 0.237 0.000 1.181 370 A CA 1.310 53.502 52.037 0.257 0.000 0.627 370 A CB -0.785 18.429 19.000 0.358 0.000 0.818 370 A HN 0.145 nan 8.150 nan 0.000 0.445 371 V N -0.486 119.579 119.914 0.252 0.000 2.343 371 V HA -0.210 3.909 4.120 -0.001 0.000 0.247 371 V C 2.725 178.954 176.094 0.226 0.000 1.051 371 V CA 2.443 64.871 62.300 0.214 0.000 1.036 371 V CB -1.162 30.805 31.823 0.239 0.000 0.654 371 V HN 0.601 nan 8.190 nan 0.000 0.451 372 T N 0.121 114.820 114.554 0.241 0.000 2.821 372 T HA -0.136 4.213 4.350 -0.001 0.000 0.267 372 T C 1.875 176.754 174.700 0.299 0.000 1.046 372 T CA 1.599 63.907 62.100 0.347 0.000 1.139 372 T CB -0.233 68.850 68.868 0.358 0.000 0.871 372 T HN 0.359 nan 8.240 nan 0.000 0.454 373 L N 0.711 122.084 121.223 0.249 0.000 2.056 373 L HA -0.088 4.252 4.340 -0.001 0.000 0.207 373 L C 2.610 179.529 176.870 0.081 0.000 1.078 373 L CA 1.489 56.490 54.840 0.269 0.000 0.749 373 L CB -0.225 41.943 42.059 0.183 0.000 0.901 373 L HN 0.152 nan 8.230 nan 0.000 0.433 374 Q N -1.032 118.692 119.800 -0.127 0.000 2.364 374 Q HA -0.165 4.175 4.340 -0.001 0.000 0.207 374 Q C 0.369 176.075 176.000 -0.490 0.000 0.970 374 Q CA 1.497 57.036 55.803 -0.441 0.000 0.888 374 Q CB 0.039 28.163 28.738 -1.024 0.000 0.951 374 Q HN 0.654 nan 8.270 nan 0.000 0.469 375 Y N -1.291 118.971 120.300 -0.064 0.000 2.706 375 Y HA 0.361 4.911 4.550 -0.001 0.000 0.255 375 Y C -0.551 175.313 175.900 -0.061 0.000 1.163 375 Y CA -0.336 57.775 58.100 0.019 0.000 1.174 375 Y CB 1.102 39.667 38.460 0.174 0.000 1.200 375 Y HN -0.222 nan 8.280 nan 0.000 0.544 376 T N 0.071 114.544 114.554 -0.135 0.000 2.840 376 T HA 0.112 4.462 4.350 -0.001 0.000 0.287 376 T C -1.151 173.193 174.700 -0.593 0.000 0.991 376 T CA -0.722 61.060 62.100 -0.529 0.000 0.964 376 T CB 1.329 69.622 68.868 -0.959 0.000 0.954 376 T HN -0.013 nan 8.240 nan 0.000 0.438 377 D N 2.017 122.134 120.400 -0.472 0.000 2.453 377 D HA 0.137 4.777 4.640 -0.001 0.000 0.223 377 D C 0.233 176.346 176.300 -0.312 0.000 1.183 377 D CA -0.769 53.062 54.000 -0.283 0.000 0.933 377 D CB 0.174 40.875 40.800 -0.166 0.000 1.038 377 D HN 0.593 nan 8.370 nan 0.000 0.513 378 W N 2.790 124.053 121.300 -0.062 0.000 2.662 378 W HA -0.035 4.625 4.660 -0.001 0.000 0.249 378 W C 1.799 178.290 176.519 -0.046 0.000 1.251 378 W CA 0.009 57.320 57.345 -0.056 0.000 1.277 378 W CB -0.244 29.188 29.460 -0.047 0.000 1.140 378 W HN 0.416 nan 8.180 nan 0.000 0.645 379 M N -0.676 118.980 119.600 0.093 0.000 2.495 379 M HA 0.025 4.505 4.480 -0.001 0.000 0.237 379 M C 0.172 176.479 176.300 0.010 0.000 1.131 379 M CA 1.022 56.357 55.300 0.058 0.000 1.032 379 M CB 0.257 32.877 32.600 0.034 0.000 1.513 379 M HN -0.196 nan 8.290 nan 0.000 0.488 380 D N -0.260 120.117 120.400 -0.038 0.000 3.484 380 D HA -0.032 4.607 4.640 -0.001 0.000 0.315 380 D C 0.666 176.879 176.300 -0.146 0.000 1.516 380 D CA 0.120 54.077 54.000 -0.070 0.000 0.755 380 D CB 0.253 41.013 40.800 -0.067 0.000 1.306 380 D HN 0.224 nan 8.370 nan 0.000 0.615 381 D N -0.565 119.734 120.400 -0.169 0.000 2.271 381 D HA -0.187 4.453 4.640 -0.001 0.000 0.207 381 D C 0.386 176.541 176.300 -0.241 0.000 0.983 381 D CA 0.639 54.453 54.000 -0.309 0.000 0.878 381 D CB 0.110 40.754 40.800 -0.261 0.000 0.920 381 D HN 0.163 nan 8.370 nan 0.000 0.479 382 N N 0.400 119.018 118.700 -0.136 0.000 2.321 382 N HA 0.011 4.751 4.740 -0.001 0.000 0.242 382 N C -0.529 174.920 175.510 -0.102 0.000 1.141 382 N CA -0.195 52.789 53.050 -0.109 0.000 0.864 382 N CB 0.045 38.497 38.487 -0.058 0.000 1.100 382 N HN 0.403 nan 8.380 nan 0.000 0.510 383 N N 0.063 118.689 118.700 -0.123 0.000 2.415 383 N HA 0.100 4.840 4.740 -0.001 0.000 0.246 383 N C 1.452 176.898 175.510 -0.107 0.000 1.078 383 N CA -0.319 52.672 53.050 -0.098 0.000 0.942 383 N CB 0.733 39.165 38.487 -0.092 0.000 1.140 383 N HN 0.063 nan 8.380 nan 0.000 0.501 384 G N 3.837 112.581 108.800 -0.093 0.000 2.469 384 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.219 384 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.219 384 G C 1.274 176.114 174.900 -0.100 0.000 1.150 384 G CA 0.674 45.712 45.100 -0.105 0.000 0.763 384 G HN 0.680 nan 8.290 nan 0.000 0.561 385 I N -0.146 120.381 120.570 -0.070 0.000 2.439 385 I HA -0.068 4.102 4.170 -0.001 0.000 0.251 385 I C 2.761 178.868 176.117 -0.017 0.000 1.139 385 I CA 0.903 62.179 61.300 -0.039 0.000 1.438 385 I CB -0.133 37.860 38.000 -0.012 0.000 1.085 385 I HN 0.153 nan 8.210 nan 0.000 0.427 386 K N 0.637 121.012 120.400 -0.043 0.000 2.103 386 K HA -0.084 4.235 4.320 -0.001 0.000 0.204 386 K C 1.829 178.402 176.600 -0.044 0.000 1.052 386 K CA 1.019 57.281 56.287 -0.042 0.000 0.945 386 K CB -0.060 32.387 32.500 -0.088 0.000 0.722 386 K HN 0.300 nan 8.250 nan 0.000 0.443 387 N N 0.848 119.488 118.700 -0.101 0.000 2.188 387 N HA -0.160 4.580 4.740 -0.001 0.000 0.184 387 N C 1.745 177.371 175.510 0.194 0.000 1.018 387 N CA 0.770 53.779 53.050 -0.069 0.000 0.858 387 N CB -0.115 38.280 38.487 -0.152 0.000 0.989 387 N HN 0.186 nan 8.380 nan 0.000 0.426 388 R N 1.437 121.978 120.500 0.068 0.000 2.062 388 R HA -0.094 4.246 4.340 -0.001 0.000 0.231 388 R C 0.700 177.137 176.300 0.228 0.000 1.136 388 R CA 1.397 57.544 56.100 0.079 0.000 0.948 388 R CB -0.166 30.067 30.300 -0.112 0.000 0.845 388 R HN 0.098 nan 8.270 nan 0.000 0.430 389 D N -0.677 119.833 120.400 0.183 0.000 2.219 389 D HA -0.074 4.566 4.640 -0.001 0.000 0.205 389 D C 1.642 178.078 176.300 0.227 0.000 0.970 389 D CA 1.278 55.407 54.000 0.214 0.000 0.851 389 D CB -0.310 40.591 40.800 0.168 0.000 0.943 389 D HN 0.509 nan 8.370 nan 0.000 0.488 390 G N 0.657 109.604 108.800 0.245 0.000 2.394 390 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.215 390 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.215 390 G C 1.572 176.621 174.900 0.247 0.000 1.165 390 G CA 0.086 45.370 45.100 0.308 0.000 0.784 390 G HN 0.182 nan 8.290 nan 0.000 0.535 391 L N 1.103 122.509 121.223 0.305 0.000 2.046 391 L HA -0.015 4.324 4.340 -0.001 0.000 0.208 391 L C 2.297 179.219 176.870 0.086 0.000 1.077 391 L CA 2.043 56.949 54.840 0.110 0.000 0.747 391 L CB -0.503 41.691 42.059 0.225 0.000 0.896 391 L HN 0.222 nan 8.230 nan 0.000 0.432 392 D N -0.782 119.740 120.400 0.203 0.000 2.123 392 D HA -0.239 4.401 4.640 -0.001 0.000 0.196 392 D C 1.620 177.993 176.300 0.121 0.000 0.992 392 D CA 1.407 55.525 54.000 0.197 0.000 0.833 392 D CB 0.074 41.053 40.800 0.298 0.000 0.954 392 D HN 0.400 nan 8.370 nan 0.000 0.455 393 D N 0.030 120.499 120.400 0.114 0.000 2.117 393 D HA -0.069 4.571 4.640 -0.001 0.000 0.198 393 D C 2.406 178.671 176.300 -0.058 0.000 0.982 393 D CA 0.302 54.364 54.000 0.103 0.000 0.828 393 D CB -0.021 40.917 40.800 0.230 0.000 0.967 393 D HN 0.363 nan 8.370 nan 0.000 0.464 394 I N 0.653 121.049 120.570 -0.290 0.000 2.127 394 I HA -0.262 3.908 4.170 -0.001 0.000 0.241 394 I C 2.499 178.458 176.117 -0.262 0.000 1.075 394 I CA 0.723 61.769 61.300 -0.423 0.000 1.334 394 I CB -0.293 37.455 38.000 -0.420 0.000 1.040 394 I HN -0.107 nan 8.210 nan 0.000 0.405 395 V N 1.108 120.926 119.914 -0.160 0.000 2.332 395 V HA -0.251 3.869 4.120 -0.001 0.000 0.248 395 V C 2.541 178.528 176.094 -0.178 0.000 1.055 395 V CA 2.277 64.497 62.300 -0.133 0.000 1.038 395 V CB -1.493 30.317 31.823 -0.023 0.000 0.651 395 V HN 0.602 nan 8.190 nan 0.000 0.450 396 G N -0.619 108.130 108.800 -0.084 0.000 2.394 396 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.214 396 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.214 396 G C 1.214 176.036 174.900 -0.131 0.000 1.176 396 G CA 0.865 45.932 45.100 -0.056 0.000 0.786 396 G HN 0.490 nan 8.290 nan 0.000 0.533 397 D N -0.118 120.204 120.400 -0.129 0.000 2.084 397 D HA -0.110 4.529 4.640 -0.001 0.000 0.194 397 D C 2.107 178.109 176.300 -0.497 0.000 0.990 397 D CA 1.357 55.256 54.000 -0.167 0.000 0.826 397 D CB -0.458 40.369 40.800 0.045 0.000 0.971 397 D HN 0.426 nan 8.370 nan 0.000 0.453 398 H N 0.531 119.003 119.070 -0.996 0.000 2.389 398 H HA 0.042 4.598 4.556 -0.001 0.000 0.299 398 H C 1.509 176.470 175.328 -0.612 0.000 1.081 398 H CA 1.628 56.969 56.048 -1.179 0.000 1.345 398 H CB 0.059 28.942 29.762 -1.465 0.000 1.393 398 H HN 0.012 nan 8.280 nan 0.000 0.520 399 N N -0.769 117.464 118.700 -0.779 0.000 2.387 399 N HA -0.012 4.728 4.740 -0.001 0.000 0.176 399 N C 1.394 176.649 175.510 -0.424 0.000 1.022 399 N CA 1.243 53.801 53.050 -0.819 0.000 0.883 399 N CB 0.808 38.456 38.487 -1.398 0.000 1.019 399 N HN 0.274 nan 8.380 nan 0.000 0.435 400 V N 0.631 120.379 119.914 -0.277 0.000 3.054 400 V HA 0.162 4.282 4.120 -0.001 0.000 0.227 400 V C 2.113 178.189 176.094 -0.030 0.000 1.252 400 V CA 0.056 62.320 62.300 -0.059 0.000 1.279 400 V CB 0.094 31.951 31.823 0.057 0.000 1.118 400 V HN -0.031 nan 8.190 nan 0.000 0.504 401 I N 1.091 121.652 120.570 -0.015 0.000 2.142 401 I HA -0.262 3.907 4.170 -0.001 0.000 0.240 401 I C 2.811 178.939 176.117 0.019 0.000 1.078 401 I CA 2.083 63.401 61.300 0.030 0.000 1.343 401 I CB -0.530 37.523 38.000 0.089 0.000 1.046 401 I HN 0.592 nan 8.210 nan 0.000 0.405 402 C N 1.506 120.806 119.300 0.001 0.000 2.446 402 C HA 0.052 4.512 4.460 -0.001 0.000 0.279 402 C C 0.454 175.478 174.990 0.057 0.000 1.366 402 C CA 0.864 59.925 59.018 0.072 0.000 1.763 402 C CB -1.776 26.059 27.740 0.158 0.000 1.929 402 C HN 0.279 nan 8.230 nan 0.000 0.509 403 P HA -0.015 nan 4.420 nan 0.000 0.221 403 P C 1.764 179.091 177.300 0.045 0.000 1.155 403 P CA 0.608 63.689 63.100 -0.030 0.000 0.812 403 P CB -0.108 31.488 31.700 -0.173 0.000 0.801 404 L N -1.572 119.665 121.223 0.022 0.000 2.109 404 L HA -0.084 4.256 4.340 -0.001 0.000 0.207 404 L C 2.005 178.926 176.870 0.086 0.000 1.086 404 L CA 1.406 56.277 54.840 0.051 0.000 0.760 404 L CB -0.448 41.617 42.059 0.009 0.000 0.910 404 L HN -0.104 nan 8.230 nan 0.000 0.437 405 M N -1.049 118.588 119.600 0.061 0.000 2.279 405 M HA -0.217 4.262 4.480 -0.001 0.000 0.264 405 M C 2.134 178.501 176.300 0.111 0.000 1.062 405 M CA 1.488 56.818 55.300 0.049 0.000 1.099 405 M CB -1.426 31.212 32.600 0.062 0.000 1.394 405 M HN 0.418 nan 8.290 nan 0.000 0.426 406 H N -0.278 118.836 119.070 0.073 0.000 2.363 406 H HA -0.139 4.416 4.556 -0.001 0.000 0.301 406 H C 1.783 177.172 175.328 0.102 0.000 1.074 406 H CA 1.736 57.837 56.048 0.087 0.000 1.354 406 H CB -0.212 29.597 29.762 0.078 0.000 1.397 406 H HN 0.220 nan 8.280 nan 0.000 0.516 407 F N 0.222 120.143 119.950 -0.048 0.000 2.075 407 F HA -0.165 4.361 4.527 -0.001 0.000 0.297 407 F C 2.545 178.285 175.800 -0.100 0.000 1.113 407 F CA 1.551 59.481 58.000 -0.115 0.000 1.218 407 F CB -1.081 37.853 39.000 -0.110 0.000 0.984 407 F HN 0.124 nan 8.300 nan 0.000 0.472 408 V N 1.195 120.997 119.914 -0.187 0.000 2.392 408 V HA -0.302 3.818 4.120 -0.001 0.000 0.249 408 V C 2.169 178.157 176.094 -0.177 0.000 1.059 408 V CA 2.649 64.754 62.300 -0.324 0.000 1.051 408 V CB -0.677 30.900 31.823 -0.410 0.000 0.658 408 V HN 0.469 nan 8.190 nan 0.000 0.455 409 N N -0.170 118.494 118.700 -0.061 0.000 2.216 409 N HA -0.073 4.667 4.740 -0.001 0.000 0.183 409 N C 1.791 177.309 175.510 0.014 0.000 1.017 409 N CA 1.080 54.183 53.050 0.088 0.000 0.861 409 N CB -0.189 38.362 38.487 0.107 0.000 0.986 409 N HN 0.473 nan 8.380 nan 0.000 0.428 410 K N 0.262 120.587 120.400 -0.126 0.000 2.103 410 K HA -0.083 4.237 4.320 -0.001 0.000 0.204 410 K C 1.887 178.504 176.600 0.028 0.000 1.052 410 K CA 0.486 56.732 56.287 -0.069 0.000 0.945 410 K CB -0.580 31.804 32.500 -0.193 0.000 0.722 410 K HN 0.258 nan 8.250 nan 0.000 0.443 411 Y N 2.418 122.517 120.300 -0.334 0.000 2.089 411 Y HA -0.227 4.323 4.550 -0.000 0.000 0.282 411 Y C 2.306 178.240 175.900 0.057 0.000 1.139 411 Y CA 2.021 59.927 58.100 -0.323 0.000 1.123 411 Y CB -0.601 37.362 38.460 -0.829 0.000 0.980 411 Y HN -0.001 nan 8.280 nan 0.000 0.493 412 T N 0.777 115.431 114.554 0.167 0.000 2.792 412 T HA -0.285 4.065 4.350 -0.001 0.000 0.268 412 T C 1.817 176.569 174.700 0.087 0.000 1.059 412 T CA 1.828 64.043 62.100 0.193 0.000 1.136 412 T CB -0.337 68.738 68.868 0.345 0.000 0.846 412 T HN 0.303 nan 8.240 nan 0.000 0.489 413 K N -0.468 119.987 120.400 0.092 0.000 2.365 413 K HA -0.012 4.308 4.320 -0.001 0.000 0.199 413 K C 0.593 177.043 176.600 -0.251 0.000 1.045 413 K CA 0.991 57.240 56.287 -0.062 0.000 0.962 413 K CB 0.045 32.511 32.500 -0.057 0.000 0.759 413 K HN 0.385 nan 8.250 nan 0.000 0.469 414 F N -1.180 118.695 119.950 -0.125 0.000 2.871 414 F HA 0.294 4.820 4.527 -0.001 0.000 0.344 414 F C 1.062 176.721 175.800 -0.234 0.000 1.078 414 F CA -0.503 57.387 58.000 -0.182 0.000 1.149 414 F CB 0.296 39.135 39.000 -0.269 0.000 1.087 414 F HN -0.119 nan 8.300 nan 0.000 0.557 415 G N 0.089 108.812 108.800 -0.128 0.000 2.621 415 G HA2 0.053 4.013 3.960 -0.001 0.000 0.271 415 G HA3 0.053 4.013 3.960 -0.001 0.000 0.271 415 G C 0.239 175.175 174.900 0.059 0.000 1.236 415 G CA -0.384 44.650 45.100 -0.110 0.000 0.958 415 G HN 0.263 nan 8.290 nan 0.000 0.512 416 N N -0.294 118.491 118.700 0.141 0.000 2.328 416 N HA 0.315 5.054 4.740 -0.001 0.000 0.247 416 N C 0.191 175.777 175.510 0.127 0.000 1.165 416 N CA 0.379 53.493 53.050 0.106 0.000 0.873 416 N CB 0.235 38.778 38.487 0.093 0.000 1.125 416 N HN 0.903 nan 8.380 nan 0.000 0.513 417 G N 0.644 109.528 108.800 0.141 0.000 2.380 417 G HA2 -0.010 3.950 3.960 -0.001 0.000 0.250 417 G HA3 -0.010 3.950 3.960 -0.001 0.000 0.250 417 G C -1.262 173.668 174.900 0.051 0.000 1.578 417 G CA -0.773 44.369 45.100 0.070 0.000 0.974 417 G HN 0.047 nan 8.290 nan 0.000 0.680 418 T N 1.562 116.027 114.554 -0.149 0.000 2.861 418 T HA 0.695 5.045 4.350 -0.001 0.000 0.287 418 T C -1.291 173.147 174.700 -0.437 0.000 1.003 418 T CA -0.364 61.657 62.100 -0.131 0.000 0.977 418 T CB 1.406 70.308 68.868 0.057 0.000 0.996 418 T HN 0.438 nan 8.240 nan 0.000 0.448 419 Y N 1.868 122.075 120.300 -0.155 0.000 2.329 419 Y HA 0.575 5.125 4.550 -0.001 0.000 0.328 419 Y C -0.348 175.567 175.900 0.026 0.000 0.992 419 Y CA -0.870 57.086 58.100 -0.240 0.000 1.151 419 Y CB 1.374 39.287 38.460 -0.911 0.000 1.150 419 Y HN 0.404 nan 8.280 nan 0.000 0.450 420 L N 5.231 126.750 121.223 0.494 0.000 2.325 420 L HA 0.578 4.918 4.340 -0.001 0.000 0.278 420 L C -1.178 176.141 176.870 0.749 0.000 1.023 420 L CA -1.021 54.074 54.840 0.425 0.000 0.811 420 L CB 1.464 43.619 42.059 0.160 0.000 1.249 420 L HN 0.733 nan 8.230 nan 0.000 0.431 421 Y N 2.450 123.060 120.300 0.517 0.000 2.605 421 Y HA 0.648 5.197 4.550 -0.001 0.000 0.343 421 Y C -1.653 174.552 175.900 0.508 0.000 1.036 421 Y CA -1.722 56.646 58.100 0.446 0.000 1.065 421 Y CB 1.489 40.149 38.460 0.333 0.000 1.288 421 Y HN 0.379 nan 8.280 nan 0.000 0.481 422 F N 3.754 124.040 119.950 0.561 0.000 2.771 422 F HA 0.412 4.939 4.527 -0.001 0.000 0.365 422 F C -1.857 174.239 175.800 0.494 0.000 1.169 422 F CA -1.829 56.428 58.000 0.428 0.000 1.093 422 F CB 0.579 39.872 39.000 0.488 0.000 1.363 422 F HN 0.561 nan 8.300 nan 0.000 0.496 423 F N 7.556 127.595 119.950 0.148 0.000 2.462 423 F HA 0.238 4.765 4.527 -0.001 0.000 0.360 423 F C 0.520 176.177 175.800 -0.237 0.000 1.134 423 F CA -0.012 58.005 58.000 0.028 0.000 1.148 423 F CB 0.356 39.444 39.000 0.147 0.000 1.147 423 F HN 0.516 nan 8.300 nan 0.000 0.550 424 N N 3.872 122.265 118.700 -0.512 0.000 2.599 424 N HA 0.085 4.825 4.740 -0.001 0.000 0.309 424 N C -1.309 174.001 175.510 -0.332 0.000 1.743 424 N CA -0.486 52.347 53.050 -0.362 0.000 0.918 424 N CB -0.378 38.032 38.487 -0.128 0.000 1.339 424 N HN 0.631 nan 8.380 nan 0.000 0.493 425 H N 0.036 118.658 119.070 -0.746 0.000 2.589 425 H HA 0.435 4.990 4.556 -0.001 0.000 0.335 425 H C -0.793 174.426 175.328 -0.182 0.000 1.019 425 H CA -0.674 55.083 56.048 -0.484 0.000 1.213 425 H CB 1.279 30.656 29.762 -0.641 0.000 1.472 425 H HN 0.145 nan 8.280 nan 0.000 0.508 426 R N 4.171 124.290 120.500 -0.634 0.000 2.234 426 R HA 0.557 4.897 4.340 -0.001 0.000 0.324 426 R C -0.458 175.614 176.300 -0.380 0.000 1.054 426 R CA -0.490 55.422 56.100 -0.312 0.000 0.912 426 R CB 0.427 30.617 30.300 -0.184 0.000 1.030 426 R HN 0.787 nan 8.270 nan 0.000 0.455 427 A N 2.778 125.662 122.820 0.108 0.000 2.507 427 A HA 0.001 4.320 4.320 -0.001 0.000 0.235 427 A C 1.266 178.937 177.584 0.146 0.000 1.070 427 A CA 0.483 52.732 52.037 0.354 0.000 0.768 427 A CB 0.337 19.658 19.000 0.535 0.000 1.011 427 A HN 1.006 nan 8.150 nan 0.000 0.502 428 S N 0.820 116.630 115.700 0.183 0.000 2.428 428 S HA -0.129 4.341 4.470 -0.001 0.000 0.230 428 S C 0.896 175.482 174.600 -0.025 0.000 1.014 428 S CA 0.957 59.197 58.200 0.066 0.000 0.957 428 S CB -0.379 62.875 63.200 0.090 0.000 0.784 428 S HN 0.907 nan 8.310 nan 0.000 0.499 429 N N 1.114 119.759 118.700 -0.091 0.000 2.279 429 N HA 0.228 4.967 4.740 -0.001 0.000 0.226 429 N C -0.076 175.356 175.510 -0.130 0.000 1.126 429 N CA -0.318 52.629 53.050 -0.172 0.000 0.846 429 N CB -0.578 37.694 38.487 -0.359 0.000 1.050 429 N HN 0.395 nan 8.380 nan 0.000 0.502 430 L N 0.983 122.170 121.223 -0.060 0.000 2.456 430 L HA 0.019 4.359 4.340 -0.001 0.000 0.272 430 L C 1.396 178.198 176.870 -0.113 0.000 1.189 430 L CA -0.315 54.490 54.840 -0.059 0.000 0.846 430 L CB 1.100 43.133 42.059 -0.043 0.000 1.111 430 L HN 0.077 nan 8.230 nan 0.000 0.475 431 V N -1.362 118.427 119.914 -0.210 0.000 3.650 431 V HA 0.066 4.186 4.120 -0.001 0.000 0.271 431 V C 0.346 176.337 176.094 -0.172 0.000 1.281 431 V CA -0.516 61.620 62.300 -0.274 0.000 1.120 431 V CB -0.914 30.589 31.823 -0.535 0.000 0.856 431 V HN 0.576 nan 8.190 nan 0.000 0.443 432 W N 1.849 123.088 121.300 -0.102 0.000 2.215 432 W HA 0.552 5.212 4.660 -0.000 0.000 0.342 432 W C -1.626 174.750 176.519 -0.237 0.000 1.237 432 W CA -2.181 55.071 57.345 -0.154 0.000 1.283 432 W CB -0.209 29.038 29.460 -0.355 0.000 1.131 432 W HN -0.064 nan 8.180 nan 0.000 0.606 433 P HA -0.093 nan 4.420 nan 0.000 0.271 433 P C 0.354 177.522 177.300 -0.220 0.000 1.238 433 P CA 0.409 63.430 63.100 -0.131 0.000 0.794 433 P CB 0.953 32.561 31.700 -0.154 0.000 0.959 434 E N 0.578 120.726 120.200 -0.087 0.000 2.072 434 E HA -0.102 4.248 4.350 -0.001 0.000 0.190 434 E C 1.942 178.520 176.600 -0.036 0.000 0.982 434 E CA 1.174 57.547 56.400 -0.045 0.000 0.803 434 E CB -0.672 29.051 29.700 0.038 0.000 0.755 434 E HN 0.710 nan 8.360 nan 0.000 0.453 435 W N 0.634 121.959 121.300 0.041 0.000 2.436 435 W HA -0.108 4.551 4.660 -0.001 0.000 0.261 435 W C 1.412 177.970 176.519 0.065 0.000 1.222 435 W CA 0.511 57.889 57.345 0.056 0.000 1.191 435 W CB -0.859 28.640 29.460 0.064 0.000 1.132 435 W HN 0.009 nan 8.180 nan 0.000 0.596 436 M N 0.890 120.146 119.600 -0.575 0.000 2.287 436 M HA 0.151 4.631 4.480 -0.001 0.000 0.266 436 M C 1.830 178.003 176.300 -0.211 0.000 1.079 436 M CA 1.720 56.669 55.300 -0.585 0.000 1.146 436 M CB -0.700 31.346 32.600 -0.923 0.000 1.374 436 M HN 0.135 nan 8.290 nan 0.000 0.435 437 G N 0.522 109.228 108.800 -0.157 0.000 2.527 437 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.268 437 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.268 437 G C -0.170 174.694 174.900 -0.059 0.000 1.175 437 G CA -0.300 44.763 45.100 -0.063 0.000 0.962 437 G HN 0.199 nan 8.290 nan 0.000 0.560 438 V N 2.396 122.313 119.914 0.004 0.000 2.157 438 V HA 0.275 4.395 4.120 -0.001 0.000 0.241 438 V C 1.372 177.537 176.094 0.118 0.000 1.349 438 V CA 0.232 62.574 62.300 0.071 0.000 1.319 438 V CB -0.939 30.929 31.823 0.075 0.000 1.421 438 V HN 0.500 nan 8.190 nan 0.000 0.501 439 I N 2.348 122.947 120.570 0.048 0.000 2.948 439 I HA -0.028 4.142 4.170 -0.001 0.000 0.290 439 I C 1.073 177.385 176.117 0.326 0.000 1.226 439 I CA -0.071 61.270 61.300 0.069 0.000 1.413 439 I CB 0.055 37.915 38.000 -0.234 0.000 1.352 439 I HN 0.527 nan 8.210 nan 0.000 0.597 440 H N 3.895 123.119 119.070 0.257 0.000 3.034 440 H HA 0.164 4.720 4.556 -0.001 0.000 0.324 440 H C 1.065 176.557 175.328 0.274 0.000 1.015 440 H CA 0.859 57.063 56.048 0.259 0.000 1.429 440 H CB 0.380 30.282 29.762 0.233 0.000 1.429 440 H HN 0.729 nan 8.280 nan 0.000 0.585 441 G N 3.509 112.159 108.800 -0.250 0.000 2.245 441 G HA2 -0.372 3.588 3.960 -0.001 0.000 0.264 441 G HA3 -0.372 3.588 3.960 -0.001 0.000 0.264 441 G C 0.743 175.680 174.900 0.063 0.000 0.985 441 G CA 0.682 45.658 45.100 -0.205 0.000 0.625 441 G HN 0.663 nan 8.290 nan 0.000 0.536 442 Y N 1.640 122.067 120.300 0.211 0.000 2.477 442 Y HA 0.196 4.745 4.550 -0.001 0.000 0.303 442 Y C 2.388 178.424 175.900 0.226 0.000 1.202 442 Y CA 1.104 59.393 58.100 0.314 0.000 1.282 442 Y CB 0.299 38.972 38.460 0.355 0.000 1.071 442 Y HN 0.556 nan 8.280 nan 0.000 0.510 443 E N -0.104 120.115 120.200 0.031 0.000 2.400 443 E HA -0.063 4.286 4.350 -0.001 0.000 0.195 443 E C 1.670 178.235 176.600 -0.058 0.000 1.012 443 E CA 0.600 56.708 56.400 -0.488 0.000 0.875 443 E CB -0.466 28.669 29.700 -0.942 0.000 0.859 443 E HN 0.520 nan 8.360 nan 0.000 0.498 444 I N 2.740 123.386 120.570 0.126 0.000 2.163 444 I HA -0.310 3.860 4.170 -0.001 0.000 0.243 444 I C 2.627 178.862 176.117 0.197 0.000 1.085 444 I CA 2.095 63.532 61.300 0.228 0.000 1.347 444 I CB -0.509 37.681 38.000 0.316 0.000 1.044 444 I HN 0.204 nan 8.210 nan 0.000 0.408 445 E N 0.989 121.260 120.200 0.118 0.000 2.219 445 E HA -0.251 4.099 4.350 -0.001 0.000 0.198 445 E C 1.951 178.447 176.600 -0.174 0.000 0.998 445 E CA 1.579 57.950 56.400 -0.048 0.000 0.818 445 E CB -0.536 29.101 29.700 -0.105 0.000 0.741 445 E HN 0.460 nan 8.360 nan 0.000 0.477 446 F N 0.934 120.811 119.950 -0.122 0.000 2.335 446 F HA 0.002 4.529 4.527 -0.001 0.000 0.296 446 F C 2.352 178.002 175.800 -0.250 0.000 1.091 446 F CA 0.408 58.292 58.000 -0.193 0.000 1.399 446 F CB -0.207 38.707 39.000 -0.143 0.000 1.067 446 F HN -0.136 nan 8.300 nan 0.000 0.520 447 V N -0.935 118.939 119.914 -0.066 0.000 2.427 447 V HA -0.260 3.860 4.120 -0.001 0.000 0.248 447 V C 1.661 177.588 176.094 -0.278 0.000 1.051 447 V CA 1.632 63.758 62.300 -0.290 0.000 1.048 447 V CB -0.621 31.087 31.823 -0.192 0.000 0.666 447 V HN 0.209 nan 8.190 nan 0.000 0.456 448 F N 0.351 120.207 119.950 -0.156 0.000 2.765 448 F HA 0.412 4.939 4.527 -0.001 0.000 0.302 448 F C 1.801 177.523 175.800 -0.130 0.000 1.111 448 F CA 0.548 58.474 58.000 -0.123 0.000 1.359 448 F CB -0.291 38.630 39.000 -0.132 0.000 1.097 448 F HN 0.248 nan 8.300 nan 0.000 0.577 449 G N 0.584 109.324 108.800 -0.101 0.000 2.221 449 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.265 449 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.265 449 G C 1.000 175.618 174.900 -0.469 0.000 1.041 449 G CA 0.297 45.252 45.100 -0.243 0.000 0.807 449 G HN 0.241 nan 8.290 nan 0.000 0.502 450 L N -0.627 120.298 121.223 -0.497 0.000 2.353 450 L HA -0.014 4.326 4.340 -0.001 0.000 0.220 450 L C 0.189 176.676 176.870 -0.639 0.000 1.133 450 L CA 1.991 56.486 54.840 -0.574 0.000 0.798 450 L CB -1.789 40.071 42.059 -0.331 0.000 0.922 450 L HN 0.208 nan 8.230 nan 0.000 0.445 451 P HA -0.088 nan 4.420 nan 0.000 0.223 451 P C 2.068 179.146 177.300 -0.371 0.000 1.151 451 P CA 0.800 63.339 63.100 -0.936 0.000 0.787 451 P CB 0.153 31.265 31.700 -0.979 0.000 0.788 452 L N -1.248 119.762 121.223 -0.355 0.000 2.201 452 L HA -0.029 4.311 4.340 -0.001 0.000 0.212 452 L C 1.245 178.005 176.870 -0.184 0.000 1.105 452 L CA 0.609 55.317 54.840 -0.221 0.000 0.775 452 L CB -0.736 41.210 42.059 -0.189 0.000 0.913 452 L HN -0.084 nan 8.230 nan 0.000 0.440 453 V N 1.605 121.358 119.914 -0.268 0.000 2.387 453 V HA 0.061 4.181 4.120 -0.001 0.000 0.260 453 V C 1.393 177.448 176.094 -0.065 0.000 1.054 453 V CA -0.593 61.610 62.300 -0.162 0.000 0.967 453 V CB 0.631 32.325 31.823 -0.215 0.000 1.036 453 V HN 0.208 nan 8.190 nan 0.000 0.481 454 K N 5.025 125.402 120.400 -0.038 0.000 2.013 454 K HA -0.222 4.097 4.320 -0.001 0.000 0.225 454 K C 1.751 178.341 176.600 -0.016 0.000 1.056 454 K CA 2.290 58.568 56.287 -0.015 0.000 0.971 454 K CB -0.653 31.837 32.500 -0.018 0.000 0.731 454 K HN 0.955 nan 8.250 nan 0.000 0.450 455 E N 1.314 121.498 120.200 -0.027 0.000 2.444 455 E HA -0.196 4.154 4.350 -0.001 0.000 0.205 455 E C 1.863 178.429 176.600 -0.056 0.000 1.054 455 E CA 0.912 57.289 56.400 -0.038 0.000 0.873 455 E CB -0.709 28.971 29.700 -0.033 0.000 0.793 455 E HN 0.427 nan 8.360 nan 0.000 0.549 456 L N 0.313 121.510 121.223 -0.042 0.000 2.591 456 L HA 0.044 4.383 4.340 -0.001 0.000 0.228 456 L C -0.288 176.451 176.870 -0.218 0.000 1.133 456 L CA -0.110 54.681 54.840 -0.082 0.000 0.880 456 L CB -0.403 41.679 42.059 0.039 0.000 1.033 456 L HN -0.033 nan 8.230 nan 0.000 0.450 457 N N -0.369 118.250 118.700 -0.136 0.000 2.688 457 N HA -0.213 4.527 4.740 -0.001 0.000 0.261 457 N C -1.168 174.179 175.510 -0.272 0.000 1.116 457 N CA 0.823 53.767 53.050 -0.176 0.000 0.689 457 N CB -1.700 36.668 38.487 -0.199 0.000 0.882 457 N HN 0.228 nan 8.380 nan 0.000 0.554 458 Y N -0.475 119.787 120.300 -0.064 0.000 2.468 458 Y HA 0.427 4.977 4.550 -0.001 0.000 0.342 458 Y C 1.346 177.235 175.900 -0.019 0.000 1.021 458 Y CA -0.620 57.452 58.100 -0.046 0.000 1.079 458 Y CB 1.222 39.623 38.460 -0.098 0.000 1.226 458 Y HN 0.198 nan 8.280 nan 0.000 0.460 459 T N -1.198 113.470 114.554 0.189 0.000 2.856 459 T HA 0.280 4.630 4.350 -0.001 0.000 0.306 459 T C 1.260 176.015 174.700 0.092 0.000 1.062 459 T CA -0.061 62.108 62.100 0.116 0.000 1.083 459 T CB 1.173 70.114 68.868 0.122 0.000 0.984 459 T HN 0.827 nan 8.240 nan 0.000 0.542 460 A N 1.989 124.840 122.820 0.052 0.000 1.908 460 A HA -0.113 4.206 4.320 -0.001 0.000 0.218 460 A C 2.364 179.959 177.584 0.019 0.000 1.181 460 A CA 1.560 53.613 52.037 0.027 0.000 0.627 460 A CB -0.743 18.267 19.000 0.015 0.000 0.818 460 A HN 0.974 nan 8.150 nan 0.000 0.445 461 E N 0.578 120.793 120.200 0.025 0.000 2.150 461 E HA -0.211 4.138 4.350 -0.001 0.000 0.193 461 E C 1.558 178.160 176.600 0.003 0.000 0.985 461 E CA 1.305 57.707 56.400 0.002 0.000 0.814 461 E CB -0.650 29.047 29.700 -0.006 0.000 0.752 461 E HN 0.791 nan 8.360 nan 0.000 0.466 462 E N 1.162 121.399 120.200 0.061 0.000 2.077 462 E HA -0.212 4.138 4.350 -0.001 0.000 0.193 462 E C 2.165 178.801 176.600 0.059 0.000 0.989 462 E CA 1.344 57.828 56.400 0.140 0.000 0.800 462 E CB -0.129 29.740 29.700 0.282 0.000 0.746 462 E HN 0.512 nan 8.360 nan 0.000 0.452 463 E N 1.140 121.330 120.200 -0.017 0.000 2.153 463 E HA -0.179 4.171 4.350 -0.001 0.000 0.194 463 E C 1.978 178.547 176.600 -0.051 0.000 0.988 463 E CA 1.072 57.422 56.400 -0.084 0.000 0.811 463 E CB -0.080 29.578 29.700 -0.070 0.000 0.746 463 E HN 0.190 nan 8.360 nan 0.000 0.466 464 A N 1.029 123.833 122.820 -0.028 0.000 1.930 464 A HA -0.108 4.212 4.320 -0.001 0.000 0.217 464 A C 2.162 179.725 177.584 -0.035 0.000 1.175 464 A CA 1.246 53.261 52.037 -0.038 0.000 0.627 464 A CB -0.582 18.397 19.000 -0.035 0.000 0.815 464 A HN 0.404 nan 8.150 nan 0.000 0.443 465 L N -0.360 120.862 121.223 -0.003 0.000 2.093 465 L HA -0.046 4.294 4.340 -0.001 0.000 0.208 465 L C 2.571 179.481 176.870 0.067 0.000 1.085 465 L CA 2.418 57.266 54.840 0.014 0.000 0.755 465 L CB -0.806 41.253 42.059 0.000 0.000 0.904 465 L HN 0.343 nan 8.230 nan 0.000 0.435 466 S N -0.662 115.108 115.700 0.116 0.000 2.356 466 S HA -0.193 4.277 4.470 -0.001 0.000 0.223 466 S C 2.196 176.761 174.600 -0.059 0.000 1.032 466 S CA 1.277 59.504 58.200 0.045 0.000 1.005 466 S CB -0.187 62.943 63.200 -0.118 0.000 0.867 466 S HN 0.521 nan 8.310 nan 0.000 0.449 467 R N 0.262 120.719 120.500 -0.071 0.000 2.096 467 R HA 0.051 4.390 4.340 -0.001 0.000 0.235 467 R C 2.771 179.011 176.300 -0.100 0.000 1.127 467 R CA 1.271 57.322 56.100 -0.082 0.000 0.968 467 R CB -0.259 29.990 30.300 -0.085 0.000 0.861 467 R HN 0.370 nan 8.270 nan 0.000 0.440 468 R N 0.518 120.943 120.500 -0.125 0.000 2.080 468 R HA -0.105 4.234 4.340 -0.001 0.000 0.236 468 R C 2.315 178.456 176.300 -0.266 0.000 1.137 468 R CA 1.572 57.529 56.100 -0.238 0.000 0.943 468 R CB -0.335 29.855 30.300 -0.182 0.000 0.846 468 R HN 0.202 nan 8.270 nan 0.000 0.431 469 I N 0.486 120.994 120.570 -0.102 0.000 2.226 469 I HA -0.316 3.854 4.170 -0.001 0.000 0.245 469 I C 2.393 178.416 176.117 -0.158 0.000 1.100 469 I CA 1.369 62.607 61.300 -0.103 0.000 1.374 469 I CB -0.174 37.609 38.000 -0.361 0.000 1.057 469 I HN 0.253 nan 8.210 nan 0.000 0.413 470 M N -0.658 118.846 119.600 -0.159 0.000 2.213 470 M HA -0.252 4.228 4.480 -0.001 0.000 0.263 470 M C 2.295 178.620 176.300 0.041 0.000 1.062 470 M CA 1.681 56.917 55.300 -0.106 0.000 1.105 470 M CB -0.741 31.804 32.600 -0.093 0.000 1.385 470 M HN 0.274 nan 8.290 nan 0.000 0.417 471 H N -0.552 118.484 119.070 -0.058 0.000 2.470 471 H HA -0.084 4.472 4.556 -0.000 0.000 0.289 471 H C 1.407 176.803 175.328 0.113 0.000 1.033 471 H CA 1.566 57.594 56.048 -0.033 0.000 1.331 471 H CB 0.191 29.868 29.762 -0.140 0.000 1.414 471 H HN 0.263 nan 8.280 nan 0.000 0.545 472 Y N -1.102 119.333 120.300 0.224 0.000 2.153 472 Y HA -0.154 4.396 4.550 -0.001 0.000 0.289 472 Y C 2.417 178.529 175.900 0.355 0.000 1.119 472 Y CA 1.008 59.309 58.100 0.333 0.000 1.116 472 Y CB -1.002 37.871 38.460 0.687 0.000 1.004 472 Y HN 0.295 nan 8.280 nan 0.000 0.501 473 W N -0.205 121.185 121.300 0.150 0.000 2.333 473 W HA -0.276 4.384 4.660 -0.000 0.000 0.316 473 W C 2.594 179.095 176.519 -0.031 0.000 1.215 473 W CA 1.076 58.428 57.345 0.012 0.000 1.278 473 W CB -0.548 28.836 29.460 -0.126 0.000 1.154 473 W HN 0.069 nan 8.180 nan 0.000 0.486 474 A N 0.024 122.942 122.820 0.163 0.000 1.902 474 A HA -0.174 4.146 4.320 -0.001 0.000 0.217 474 A C 1.810 179.365 177.584 -0.047 0.000 1.181 474 A CA 2.311 54.357 52.037 0.015 0.000 0.623 474 A CB -1.221 17.769 19.000 -0.017 0.000 0.818 474 A HN 0.224 nan 8.150 nan 0.000 0.443 475 T N -0.893 113.593 114.554 -0.115 0.000 2.821 475 T HA -0.092 4.257 4.350 -0.001 0.000 0.267 475 T C 1.595 176.256 174.700 -0.066 0.000 1.046 475 T CA 1.464 63.465 62.100 -0.164 0.000 1.139 475 T CB -0.357 68.347 68.868 -0.272 0.000 0.871 475 T HN 0.480 nan 8.240 nan 0.000 0.454 476 F N 2.422 122.281 119.950 -0.151 0.000 2.102 476 F HA 0.036 4.563 4.527 -0.001 0.000 0.298 476 F C 2.464 178.183 175.800 -0.135 0.000 1.105 476 F CA 0.927 58.806 58.000 -0.201 0.000 1.239 476 F CB -0.819 38.003 39.000 -0.298 0.000 0.991 476 F HN 0.138 nan 8.300 nan 0.000 0.474 477 A N 0.287 123.014 122.820 -0.154 0.000 1.948 477 A HA -0.258 4.061 4.320 -0.001 0.000 0.220 477 A C 2.215 179.671 177.584 -0.214 0.000 1.177 477 A CA 2.242 54.158 52.037 -0.202 0.000 0.636 477 A CB -0.694 18.267 19.000 -0.065 0.000 0.815 477 A HN 0.532 nan 8.150 nan 0.000 0.449 478 K N -1.415 118.888 120.400 -0.163 0.000 2.044 478 K HA -0.041 4.279 4.320 -0.001 0.000 0.204 478 K C 2.079 178.590 176.600 -0.149 0.000 1.049 478 K CA 1.640 57.852 56.287 -0.125 0.000 0.945 478 K CB -0.153 32.296 32.500 -0.085 0.000 0.724 478 K HN 0.658 nan 8.250 nan 0.000 0.440 479 T N -3.661 110.784 114.554 -0.181 0.000 2.990 479 T HA 0.223 4.572 4.350 -0.001 0.000 0.250 479 T C 1.334 175.912 174.700 -0.203 0.000 1.041 479 T CA 0.472 62.480 62.100 -0.155 0.000 1.010 479 T CB 0.828 69.636 68.868 -0.099 0.000 1.003 479 T HN 0.314 nan 8.240 nan 0.000 0.499 480 G N 1.415 109.967 108.800 -0.413 0.000 2.141 480 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.242 480 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.242 480 G C -0.178 174.685 174.900 -0.061 0.000 0.982 480 G CA 0.063 44.882 45.100 -0.468 0.000 0.662 480 G HN 0.857 nan 8.290 nan 0.000 0.527 481 N N -0.305 118.367 118.700 -0.047 0.000 2.425 481 N HA 0.409 5.148 4.740 -0.001 0.000 0.289 481 N C -1.870 173.546 175.510 -0.157 0.000 1.074 481 N CA -1.362 51.638 53.050 -0.083 0.000 0.905 481 N CB 2.478 40.968 38.487 0.005 0.000 1.586 481 N HN -0.065 nan 8.380 nan 0.000 0.490 482 P HA -0.027 nan 4.420 nan 0.000 0.234 482 P C -0.455 176.917 177.300 0.119 0.000 1.167 482 P CA 0.561 63.543 63.100 -0.197 0.000 0.763 482 P CB 0.380 31.663 31.700 -0.694 0.000 0.835 483 N N 1.042 119.766 118.700 0.039 0.000 2.492 483 N HA 0.136 4.875 4.740 -0.001 0.000 0.289 483 N C 0.197 175.768 175.510 0.101 0.000 1.133 483 N CA -0.357 52.791 53.050 0.163 0.000 0.961 483 N CB 1.068 39.655 38.487 0.167 0.000 1.186 483 N HN -0.016 nan 8.380 nan 0.000 0.493 484 E N 1.787 122.074 120.200 0.145 0.000 2.290 484 E HA 0.121 4.471 4.350 -0.001 0.000 0.277 484 E C -1.359 175.259 176.600 0.030 0.000 1.035 484 E CA -1.492 54.972 56.400 0.107 0.000 0.873 484 E CB 0.841 30.643 29.700 0.170 0.000 1.029 484 E HN 0.324 nan 8.360 nan 0.000 0.419 485 P HA -0.197 nan 4.420 nan 0.000 0.212 485 P C 0.289 177.419 177.300 -0.284 0.000 1.128 485 P CA 1.648 64.590 63.100 -0.264 0.000 0.961 485 P CB 0.114 31.561 31.700 -0.421 0.000 0.782 486 H N -1.818 117.289 119.070 0.062 0.000 2.533 486 H HA 0.372 4.927 4.556 -0.001 0.000 0.281 486 H C 0.425 175.787 175.328 0.057 0.000 1.238 486 H CA -0.297 55.784 56.048 0.055 0.000 1.024 486 H CB -0.318 29.470 29.762 0.042 0.000 1.604 486 H HN 0.072 nan 8.280 nan 0.000 0.531 487 S N 0.494 116.274 115.700 0.134 0.000 2.632 487 S HA 0.078 4.547 4.470 -0.001 0.000 0.267 487 S C 1.158 175.819 174.600 0.102 0.000 1.276 487 S CA -0.403 57.864 58.200 0.111 0.000 0.998 487 S CB 1.203 64.470 63.200 0.111 0.000 0.953 487 S HN 0.339 nan 8.310 nan 0.000 0.547 488 Q N 0.774 120.621 119.800 0.078 0.000 2.282 488 Q HA 0.285 4.625 4.340 -0.001 0.000 0.206 488 Q C -0.069 175.970 176.000 0.065 0.000 0.878 488 Q CA 0.172 56.015 55.803 0.066 0.000 0.944 488 Q CB 0.134 28.901 28.738 0.047 0.000 1.100 488 Q HN 0.641 nan 8.270 nan 0.000 0.509 489 E N 0.924 121.170 120.200 0.076 0.000 2.376 489 E HA 0.170 4.520 4.350 -0.001 0.000 0.254 489 E C -0.182 176.485 176.600 0.111 0.000 1.213 489 E CA -0.137 56.312 56.400 0.083 0.000 0.945 489 E CB 0.559 30.312 29.700 0.089 0.000 1.057 489 E HN -0.136 nan 8.360 nan 0.000 0.479 490 S N 1.449 117.220 115.700 0.117 0.000 2.510 490 S HA 0.063 4.533 4.470 -0.001 0.000 0.279 490 S C 0.115 174.832 174.600 0.195 0.000 1.284 490 S CA -0.344 57.932 58.200 0.128 0.000 1.059 490 S CB 0.308 63.568 63.200 0.099 0.000 0.901 490 S HN 0.132 nan 8.310 nan 0.000 0.491 491 K N 2.578 123.089 120.400 0.185 0.000 2.322 491 K HA 0.074 4.393 4.320 -0.001 0.000 0.283 491 K C -0.269 176.514 176.600 0.305 0.000 1.042 491 K CA -0.326 56.108 56.287 0.244 0.000 0.958 491 K CB 0.431 33.048 32.500 0.196 0.000 0.984 491 K HN 0.666 nan 8.250 nan 0.000 0.473 492 W N 7.612 128.995 121.300 0.138 0.000 2.585 492 W HA 0.120 4.779 4.660 -0.000 0.000 0.337 492 W C -2.129 174.515 176.519 0.208 0.000 1.226 492 W CA -2.609 54.806 57.345 0.116 0.000 1.463 492 W CB -0.442 29.011 29.460 -0.010 0.000 1.458 492 W HN 0.410 nan 8.180 nan 0.000 0.458 493 P HA -0.080 nan 4.420 nan 0.000 0.268 493 P C -0.462 177.050 177.300 0.353 0.000 1.208 493 P CA -0.189 63.125 63.100 0.357 0.000 0.777 493 P CB 1.305 33.146 31.700 0.235 0.000 0.875 494 L N 3.189 124.499 121.223 0.145 0.000 2.397 494 L HA 0.319 4.659 4.340 -0.001 0.000 0.271 494 L C -0.038 176.842 176.870 0.017 0.000 1.148 494 L CA -0.488 54.285 54.840 -0.111 0.000 0.825 494 L CB -0.310 41.664 42.059 -0.141 0.000 1.117 494 L HN 0.234 nan 8.230 nan 0.000 0.456 495 F N 3.830 123.689 119.950 -0.152 0.000 2.427 495 F HA 0.528 5.055 4.527 -0.001 0.000 0.352 495 F C 0.207 175.981 175.800 -0.043 0.000 1.100 495 F CA 0.044 58.032 58.000 -0.020 0.000 1.191 495 F CB 0.840 39.846 39.000 0.009 0.000 1.128 495 F HN 0.639 nan 8.300 nan 0.000 0.533 496 T N 1.049 115.261 114.554 -0.569 0.000 2.909 496 T HA 0.252 4.602 4.350 -0.001 0.000 0.299 496 T C 0.682 175.069 174.700 -0.522 0.000 1.073 496 T CA -0.466 61.416 62.100 -0.364 0.000 0.999 496 T CB 1.460 70.207 68.868 -0.202 0.000 1.098 496 T HN 0.551 nan 8.240 nan 0.000 0.477 497 T N 1.213 115.618 114.554 -0.249 0.000 2.699 497 T HA -0.155 4.195 4.350 -0.001 0.000 0.268 497 T C 1.740 176.330 174.700 -0.183 0.000 1.036 497 T CA 1.926 63.924 62.100 -0.171 0.000 1.147 497 T CB -0.306 68.519 68.868 -0.073 0.000 0.862 497 T HN 0.754 nan 8.240 nan 0.000 0.446 498 K N 0.567 120.872 120.400 -0.159 0.000 1.967 498 K HA -0.128 4.192 4.320 -0.001 0.000 0.212 498 K C 2.384 178.905 176.600 -0.131 0.000 1.044 498 K CA 1.311 57.528 56.287 -0.116 0.000 0.942 498 K CB 0.026 32.474 32.500 -0.085 0.000 0.726 498 K HN 0.132 nan 8.250 nan 0.000 0.440 499 E N 0.708 120.813 120.200 -0.157 0.000 2.046 499 E HA -0.153 4.197 4.350 -0.001 0.000 0.190 499 E C 0.203 176.706 176.600 -0.162 0.000 0.982 499 E CA 0.815 57.140 56.400 -0.125 0.000 0.800 499 E CB -0.165 29.479 29.700 -0.093 0.000 0.756 499 E HN 0.376 nan 8.360 nan 0.000 0.449 500 Q N 0.384 119.942 119.800 -0.404 0.000 2.470 500 Q HA -0.168 4.172 4.340 -0.001 0.000 0.294 500 Q C -0.724 175.299 176.000 0.040 0.000 1.356 500 Q CA 0.521 56.010 55.803 -0.523 0.000 0.805 500 Q CB -1.460 27.171 28.738 -0.179 0.000 1.157 500 Q HN 0.202 nan 8.270 nan 0.000 0.431 501 K N 0.515 120.963 120.400 0.079 0.000 2.126 501 K HA 0.659 4.978 4.320 -0.001 0.000 0.257 501 K C 0.017 176.946 176.600 0.548 0.000 1.007 501 K CA 0.027 56.471 56.287 0.263 0.000 0.928 501 K CB 0.621 33.209 32.500 0.146 0.000 1.013 501 K HN 0.225 nan 8.250 nan 0.000 0.473 502 F N -0.407 119.718 119.950 0.293 0.000 2.741 502 F HA 0.597 5.124 4.527 -0.001 0.000 0.313 502 F C -1.415 174.516 175.800 0.218 0.000 1.153 502 F CA -1.450 56.750 58.000 0.335 0.000 0.931 502 F CB 0.811 40.005 39.000 0.322 0.000 1.335 502 F HN 0.457 nan 8.300 nan 0.000 0.460 503 I N -0.555 120.095 120.570 0.133 0.000 2.892 503 I HA 0.637 4.807 4.170 -0.001 0.000 0.306 503 I C -1.214 174.967 176.117 0.106 0.000 1.078 503 I CA -0.804 60.404 61.300 -0.153 0.000 1.032 503 I CB 2.124 39.897 38.000 -0.380 0.000 1.229 503 I HN 0.491 nan 8.210 nan 0.000 0.435 504 D N 3.085 123.535 120.400 0.083 0.000 2.312 504 D HA 0.471 5.111 4.640 -0.001 0.000 0.248 504 D C -0.971 175.374 176.300 0.075 0.000 1.086 504 D CA 0.075 54.228 54.000 0.255 0.000 0.948 504 D CB 2.324 43.276 40.800 0.254 0.000 1.162 504 D HN 0.323 nan 8.370 nan 0.000 0.446 505 L N 2.846 124.110 121.223 0.069 0.000 2.417 505 L HA 0.244 4.583 4.340 -0.001 0.000 0.259 505 L C -0.826 175.895 176.870 -0.249 0.000 1.023 505 L CA -0.341 54.471 54.840 -0.046 0.000 0.901 505 L CB 0.232 42.336 42.059 0.074 0.000 1.227 505 L HN 0.436 nan 8.230 nan 0.000 0.454 506 N N -1.076 117.502 118.700 -0.204 0.000 3.204 506 N HA 0.367 5.107 4.740 -0.001 0.000 0.285 506 N C 0.171 175.547 175.510 -0.223 0.000 1.536 506 N CA -0.198 52.683 53.050 -0.281 0.000 0.832 506 N CB 0.524 38.921 38.487 -0.151 0.000 1.645 506 N HN 0.029 nan 8.380 nan 0.000 0.586 507 T N -3.303 111.088 114.554 -0.272 0.000 3.439 507 T HA 0.214 4.564 4.350 -0.001 0.000 0.251 507 T C -0.318 174.335 174.700 -0.079 0.000 1.108 507 T CA 0.147 62.136 62.100 -0.185 0.000 0.982 507 T CB -0.939 67.797 68.868 -0.220 0.000 1.024 507 T HN 0.506 nan 8.240 nan 0.000 0.573 508 E N 1.380 121.548 120.200 -0.054 0.000 2.263 508 E HA 0.420 4.770 4.350 -0.001 0.000 0.264 508 E C -2.792 173.799 176.600 -0.016 0.000 0.923 508 E CA -2.981 53.407 56.400 -0.019 0.000 0.802 508 E CB 0.895 30.596 29.700 0.003 0.000 1.228 508 E HN 0.056 nan 8.360 nan 0.000 0.417 509 P HA -0.127 nan 4.420 nan 0.000 0.256 509 P C -0.364 176.926 177.300 -0.016 0.000 1.173 509 P CA 0.556 63.652 63.100 -0.006 0.000 0.768 509 P CB 0.169 31.867 31.700 -0.003 0.000 0.758 510 M N 3.935 123.527 119.600 -0.013 0.000 2.256 510 M HA -0.126 4.354 4.480 -0.001 0.000 0.392 510 M C -0.387 175.866 176.300 -0.077 0.000 1.406 510 M CA 1.342 56.621 55.300 -0.036 0.000 0.861 510 M CB -0.038 32.559 32.600 -0.006 0.000 1.977 510 M HN 0.227 nan 8.290 nan 0.000 0.492 511 K N 4.640 124.956 120.400 -0.139 0.000 2.426 511 K HA 0.511 4.831 4.320 -0.001 0.000 0.254 511 K C -1.315 174.989 176.600 -0.492 0.000 0.936 511 K CA -0.874 55.248 56.287 -0.274 0.000 0.801 511 K CB 2.298 34.643 32.500 -0.259 0.000 1.139 511 K HN 0.507 nan 8.250 nan 0.000 0.424 512 V N 3.931 123.564 119.914 -0.469 0.000 2.686 512 V HA 0.293 4.413 4.120 -0.001 0.000 0.295 512 V C 0.189 175.848 176.094 -0.726 0.000 1.057 512 V CA -0.303 61.720 62.300 -0.462 0.000 1.012 512 V CB 1.011 32.721 31.823 -0.189 0.000 1.006 512 V HN 0.733 nan 8.190 nan 0.000 0.477 513 H N 2.291 121.083 119.070 -0.463 0.000 3.220 513 H HA 0.646 5.202 4.556 -0.001 0.000 0.299 513 H C -1.100 174.140 175.328 -0.148 0.000 1.604 513 H CA -0.791 55.005 56.048 -0.420 0.000 1.260 513 H CB 2.017 31.321 29.762 -0.764 0.000 1.846 513 H HN 0.563 nan 8.280 nan 0.000 0.632 514 Q N 0.207 120.163 119.800 0.260 0.000 2.418 514 Q HA 0.339 4.679 4.340 -0.001 0.000 0.282 514 Q C -0.805 175.412 176.000 0.363 0.000 1.044 514 Q CA -0.847 55.153 55.803 0.327 0.000 0.813 514 Q CB 3.040 31.875 28.738 0.161 0.000 1.428 514 Q HN 0.463 nan 8.270 nan 0.000 0.402 515 R N 0.984 121.670 120.500 0.310 0.000 3.059 515 R HA -0.211 4.129 4.340 -0.001 0.000 0.251 515 R C -0.475 175.905 176.300 0.133 0.000 0.886 515 R CA -0.108 56.113 56.100 0.201 0.000 0.634 515 R CB -1.430 28.951 30.300 0.135 0.000 1.282 515 R HN 0.449 nan 8.270 nan 0.000 0.487 516 L N 2.531 123.749 121.223 -0.007 0.000 2.700 516 L HA -0.061 4.278 4.340 -0.001 0.000 0.276 516 L C 0.712 177.504 176.870 -0.129 0.000 1.200 516 L CA 0.797 55.447 54.840 -0.316 0.000 0.951 516 L CB -0.234 41.333 42.059 -0.819 0.000 1.226 516 L HN 0.442 nan 8.230 nan 0.000 0.489 517 R N 2.307 122.754 120.500 -0.087 0.000 3.158 517 R HA -0.184 4.155 4.340 -0.001 0.000 0.244 517 R C 1.146 177.488 176.300 0.071 0.000 0.900 517 R CA 0.612 56.716 56.100 0.006 0.000 0.618 517 R CB -1.920 28.398 30.300 0.030 0.000 1.061 517 R HN 0.748 nan 8.270 nan 0.000 0.471 518 V N -3.107 116.849 119.914 0.071 0.000 2.453 518 V HA -0.253 3.867 4.120 -0.001 0.000 0.247 518 V C 2.234 178.391 176.094 0.104 0.000 1.048 518 V CA 1.749 64.107 62.300 0.097 0.000 1.049 518 V CB -0.353 31.521 31.823 0.086 0.000 0.672 518 V HN 0.297 nan 8.190 nan 0.000 0.457 519 Q N 0.243 120.089 119.800 0.076 0.000 2.077 519 Q HA -0.172 4.168 4.340 -0.001 0.000 0.206 519 Q C 2.139 178.194 176.000 0.092 0.000 0.989 519 Q CA 2.445 58.280 55.803 0.054 0.000 0.853 519 Q CB -0.399 28.344 28.738 0.009 0.000 0.907 519 Q HN 0.597 nan 8.270 nan 0.000 0.418 520 M N -1.604 118.087 119.600 0.151 0.000 2.287 520 M HA 0.023 4.502 4.480 -0.001 0.000 0.266 520 M C 2.594 179.173 176.300 0.465 0.000 1.079 520 M CA 1.172 56.653 55.300 0.302 0.000 1.146 520 M CB -1.587 31.258 32.600 0.408 0.000 1.374 520 M HN 0.523 nan 8.290 nan 0.000 0.435 521 C N 0.267 119.772 119.300 0.341 0.000 2.409 521 C HA 0.040 4.500 4.460 -0.001 0.000 0.284 521 C C 2.849 178.012 174.990 0.288 0.000 1.354 521 C CA 0.938 60.150 59.018 0.324 0.000 1.787 521 C CB -1.321 26.546 27.740 0.213 0.000 1.900 521 C HN 0.299 nan 8.230 nan 0.000 0.520 522 V N -0.660 119.397 119.914 0.239 0.000 2.649 522 V HA -0.075 4.044 4.120 -0.001 0.000 0.248 522 V C 2.239 178.458 176.094 0.208 0.000 1.054 522 V CA 1.796 64.210 62.300 0.191 0.000 1.073 522 V CB -0.785 31.121 31.823 0.138 0.000 0.699 522 V HN 0.676 nan 8.190 nan 0.000 0.463 523 F N 0.091 120.078 119.950 0.061 0.000 2.146 523 F HA -0.153 4.374 4.527 -0.000 0.000 0.298 523 F C 1.894 177.654 175.800 -0.066 0.000 1.096 523 F CA 1.596 59.573 58.000 -0.039 0.000 1.275 523 F CB -0.279 38.572 39.000 -0.248 0.000 1.008 523 F HN 0.172 nan 8.300 nan 0.000 0.480 524 W N 0.428 121.815 121.300 0.144 0.000 2.523 524 W HA -0.017 4.643 4.660 -0.001 0.000 0.278 524 W C 1.982 178.472 176.519 -0.047 0.000 1.236 524 W CA 0.591 57.938 57.345 0.003 0.000 1.306 524 W CB -0.344 29.240 29.460 0.207 0.000 1.101 524 W HN -0.059 nan 8.180 nan 0.000 0.577 525 N N -0.619 118.197 118.700 0.192 0.000 2.415 525 N HA -0.005 4.734 4.740 -0.001 0.000 0.174 525 N C 1.380 176.894 175.510 0.006 0.000 1.048 525 N CA 0.863 53.944 53.050 0.052 0.000 0.895 525 N CB -0.028 38.504 38.487 0.075 0.000 1.036 525 N HN 0.368 nan 8.380 nan 0.000 0.449 526 Q N -0.956 118.870 119.800 0.043 0.000 2.606 526 Q HA 0.185 4.524 4.340 -0.001 0.000 0.215 526 Q C 1.272 177.284 176.000 0.020 0.000 0.908 526 Q CA -0.019 55.810 55.803 0.044 0.000 0.908 526 Q CB 0.050 28.846 28.738 0.097 0.000 1.120 526 Q HN 0.112 nan 8.270 nan 0.000 0.628 527 F N 1.835 121.704 119.950 -0.135 0.000 2.074 527 F HA -0.141 4.385 4.527 -0.001 0.000 0.293 527 F C 1.966 177.590 175.800 -0.293 0.000 1.116 527 F CA 0.914 58.806 58.000 -0.180 0.000 1.212 527 F CB -0.325 38.593 39.000 -0.137 0.000 0.998 527 F HN 0.018 nan 8.300 nan 0.000 0.471 528 L N 1.007 121.801 121.223 -0.716 0.000 2.012 528 L HA -0.090 4.250 4.340 -0.001 0.000 0.210 528 L C -0.815 175.770 176.870 -0.476 0.000 1.073 528 L CA 2.143 56.496 54.840 -0.811 0.000 0.748 528 L CB -1.868 39.603 42.059 -0.980 0.000 0.891 528 L HN 0.012 nan 8.230 nan 0.000 0.431 529 P HA -0.244 nan 4.420 nan 0.000 0.214 529 P C 1.523 178.705 177.300 -0.197 0.000 1.163 529 P CA 1.748 64.745 63.100 -0.170 0.000 0.889 529 P CB -0.087 31.544 31.700 -0.116 0.000 0.790 530 K N -0.210 120.058 120.400 -0.221 0.000 2.032 530 K HA -0.180 4.139 4.320 -0.001 0.000 0.209 530 K C 2.080 178.520 176.600 -0.268 0.000 1.048 530 K CA 1.323 57.492 56.287 -0.198 0.000 0.927 530 K CB -0.886 31.525 32.500 -0.149 0.000 0.712 530 K HN 0.029 nan 8.250 nan 0.000 0.441 531 L N 1.008 121.944 121.223 -0.478 0.000 1.989 531 L HA -0.191 4.149 4.340 -0.001 0.000 0.211 531 L C 2.187 178.893 176.870 -0.274 0.000 1.071 531 L CA 1.385 55.943 54.840 -0.470 0.000 0.749 531 L CB -0.233 41.360 42.059 -0.777 0.000 0.890 531 L HN 0.290 nan 8.230 nan 0.000 0.431 532 L N -0.127 120.944 121.223 -0.253 0.000 2.191 532 L HA -0.256 4.084 4.340 -0.001 0.000 0.212 532 L C 2.369 179.175 176.870 -0.106 0.000 1.103 532 L CA 1.562 56.308 54.840 -0.156 0.000 0.769 532 L CB -0.791 41.195 42.059 -0.122 0.000 0.908 532 L HN 0.511 nan 8.230 nan 0.000 0.438 533 N N 0.123 118.757 118.700 -0.110 0.000 2.135 533 N HA -0.137 4.603 4.740 -0.001 0.000 0.186 533 N C 1.866 177.337 175.510 -0.065 0.000 1.027 533 N CA 1.074 54.080 53.050 -0.074 0.000 0.849 533 N CB 0.122 38.568 38.487 -0.070 0.000 1.002 533 N HN 0.287 nan 8.380 nan 0.000 0.425 534 A N 0.242 123.016 122.820 -0.078 0.000 2.066 534 A HA -0.000 4.319 4.320 -0.001 0.000 0.218 534 A C 1.276 178.828 177.584 -0.053 0.000 1.157 534 A CA 1.318 53.321 52.037 -0.058 0.000 0.670 534 A CB -0.410 18.555 19.000 -0.057 0.000 0.804 534 A HN 0.565 nan 8.150 nan 0.000 0.453 535 T N 0.000 114.514 114.554 -0.067 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.067 62.100 -0.055 0.000 1.349 535 T CB 0.000 68.829 68.868 -0.064 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658