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 1f9o_1_A DATA FIRST_RESID 1 DATA SEQUENCE ASSPANKVYQ DRFESMYSKI KDPANGYFSE QGIPYHSIET LMVEAPDYGH DATA SEQUENCE VTTSEAMSYY MWLEAMHGRF SGDFTGFDKS WSVTEQYLIP TEKDQPNTSM DATA SEQUENCE SRYDANKPAT YAPEFQDPSK YPSPLDTSQP VGRDPINSQL TSAYGTSMLY DATA SEQUENCE GMHWILDVDN WYGFGARADG TSKPSYINTF QRGEQESTWE TIPQPCWDEH DATA SEQUENCE KFGGQYGFLD LFTKDTGTPA KQFKYTNAPD ADARAVQATY WADQWAKEQG DATA SEQUENCE KSVSTSVGKA TKMGDYLRYS FFDKYFRKIG QPSQAGTGYD AAHYLLSWYY DATA SEQUENCE AWGGGIDSTW SWIIGSSHNH FGYQNPFAAW VLSTDANFKP KSSNGASDWA DATA SEQUENCE KSLDRQLEFY QWLQSAEGAI AGGATNSWNG RYEAVPSGTS TFYGMGYVEN DATA SEQUENCE PVYADPGSNT WFGMQVWSMQ RVAELYYKTG DARAKKLLDK WAKWINGEIK DATA SEQUENCE FNADGTFQIP STIDWEGQPD TWNPTQGYTG NANLHVKVVN YGTDLGCASS DATA SEQUENCE LANTLTYYAA KSGDETSRQN AQKLLDAMWN NYSDSKGIST VEQRGDYHRF DATA SEQUENCE LDQEVFVPAG WTGKMPNGDV IKSGVKFIDI RSKYKQDPEW QTMVAALQAG DATA SEQUENCE QVPTQRLHRF WAQSEFAVAN GVYAILFPD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.604 177.584 0.034 0.000 1.274 1 A CA 0.000 52.055 52.037 0.029 0.000 0.836 1 A CB 0.000 19.014 19.000 0.023 0.000 0.831 2 S N 1.602 117.322 115.700 0.034 0.000 2.560 2 S HA 0.402 4.871 4.470 -0.000 0.000 0.284 2 S C 1.032 175.639 174.600 0.012 0.000 1.327 2 S CA 0.440 58.655 58.200 0.024 0.000 1.055 2 S CB 0.178 63.372 63.200 -0.010 0.000 0.868 2 S HN 1.504 nan 8.310 nan 0.000 0.506 3 S N 4.260 119.966 115.700 0.011 0.000 2.568 3 S HA 0.251 4.721 4.470 -0.000 0.000 0.282 3 S C -2.256 172.339 174.600 -0.008 0.000 1.338 3 S CA -1.192 57.009 58.200 0.003 0.000 1.045 3 S CB -0.447 62.757 63.200 0.006 0.000 0.873 3 S HN 0.583 nan 8.310 nan 0.000 0.516 4 P HA 0.358 nan 4.420 nan 0.000 0.268 4 P C -0.819 176.474 177.300 -0.013 0.000 1.205 4 P CA -0.242 62.854 63.100 -0.007 0.000 0.771 4 P CB 0.571 32.266 31.700 -0.009 0.000 0.858 5 A N 2.672 125.491 122.820 -0.002 0.000 2.384 5 A HA 0.348 4.668 4.320 -0.000 0.000 0.312 5 A C 0.197 177.767 177.584 -0.023 0.000 1.113 5 A CA -0.835 51.201 52.037 -0.002 0.000 0.779 5 A CB 0.752 19.803 19.000 0.084 0.000 1.307 5 A HN 0.606 nan 8.150 nan 0.000 0.436 6 N N 1.134 119.833 118.700 -0.002 0.000 2.412 6 N HA -0.049 4.691 4.740 -0.000 0.000 0.279 6 N C 0.919 176.414 175.510 -0.026 0.000 1.287 6 N CA 0.370 53.443 53.050 0.039 0.000 0.948 6 N CB 0.549 39.143 38.487 0.179 0.000 1.255 6 N HN 0.740 nan 8.380 nan 0.000 0.485 7 K N 2.635 122.991 120.400 -0.074 0.000 2.113 7 K HA -0.132 4.188 4.320 -0.000 0.000 0.208 7 K C 1.497 177.977 176.600 -0.200 0.000 1.047 7 K CA 1.080 57.283 56.287 -0.140 0.000 0.928 7 K CB 0.235 32.670 32.500 -0.109 0.000 0.716 7 K HN 0.354 nan 8.250 nan 0.000 0.446 8 V N 0.328 120.108 119.914 -0.224 0.000 2.255 8 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 8 V C 1.882 177.632 176.094 -0.574 0.000 1.051 8 V CA 1.837 63.882 62.300 -0.426 0.000 1.018 8 V CB -0.562 30.921 31.823 -0.567 0.000 0.641 8 V HN 0.307 nan 8.190 nan 0.000 0.445 9 Y N -0.115 120.055 120.300 -0.217 0.000 2.373 9 Y HA -0.141 4.408 4.550 -0.000 0.000 0.293 9 Y C 2.599 178.333 175.900 -0.278 0.000 1.129 9 Y CA 1.432 59.386 58.100 -0.242 0.000 1.226 9 Y CB -0.397 38.015 38.460 -0.080 0.000 1.000 9 Y HN 0.294 nan 8.280 nan 0.000 0.549 10 Q N 0.435 120.089 119.800 -0.244 0.000 2.079 10 Q HA -0.194 4.146 4.340 -0.000 0.000 0.200 10 Q C 1.362 177.152 176.000 -0.348 0.000 0.974 10 Q CA 1.672 57.154 55.803 -0.535 0.000 0.840 10 Q CB -0.025 28.273 28.738 -0.733 0.000 0.898 10 Q HN 0.376 nan 8.270 nan 0.000 0.430 11 D N 0.292 120.518 120.400 -0.290 0.000 2.123 11 D HA -0.155 4.485 4.640 -0.000 0.000 0.196 11 D C 1.962 178.139 176.300 -0.205 0.000 0.992 11 D CA 1.066 54.937 54.000 -0.215 0.000 0.833 11 D CB -0.040 40.628 40.800 -0.220 0.000 0.954 11 D HN 0.292 nan 8.370 nan 0.000 0.455 12 R N -0.380 119.896 120.500 -0.373 0.000 2.096 12 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 12 R C 2.309 178.546 176.300 -0.104 0.000 1.127 12 R CA 0.689 56.499 56.100 -0.483 0.000 0.968 12 R CB -0.423 29.360 30.300 -0.862 0.000 0.861 12 R HN 0.213 nan 8.270 nan 0.000 0.440 13 F N 2.200 122.041 119.950 -0.181 0.000 2.113 13 F HA -0.133 4.393 4.527 -0.000 0.000 0.297 13 F C 1.933 177.769 175.800 0.059 0.000 1.103 13 F CA 1.484 59.449 58.000 -0.058 0.000 1.248 13 F CB -0.078 38.887 39.000 -0.058 0.000 0.999 13 F HN -0.079 nan 8.300 nan 0.000 0.475 14 E N -0.404 119.808 120.200 0.020 0.000 2.118 14 E HA -0.244 4.105 4.350 -0.000 0.000 0.195 14 E C 2.378 178.993 176.600 0.025 0.000 0.992 14 E CA 1.388 57.803 56.400 0.025 0.000 0.804 14 E CB -0.377 29.363 29.700 0.068 0.000 0.741 14 E HN 0.416 nan 8.360 nan 0.000 0.458 15 S N 0.131 115.866 115.700 0.058 0.000 2.343 15 S HA -0.166 4.304 4.470 -0.000 0.000 0.219 15 S C 1.984 176.653 174.600 0.115 0.000 1.033 15 S CA 1.034 59.322 58.200 0.147 0.000 1.014 15 S CB -0.029 63.372 63.200 0.336 0.000 0.915 15 S HN 0.128 nan 8.310 nan 0.000 0.435 16 M N 0.096 119.759 119.600 0.105 0.000 2.108 16 M HA -0.108 4.372 4.480 -0.000 0.000 0.261 16 M C 2.019 178.275 176.300 -0.073 0.000 1.066 16 M CA 1.554 56.890 55.300 0.060 0.000 1.107 16 M CB -1.451 31.193 32.600 0.074 0.000 1.356 16 M HN 0.583 nan 8.290 nan 0.000 0.406 17 Y N 0.927 121.015 120.300 -0.355 0.000 2.165 17 Y HA -0.233 4.317 4.550 -0.000 0.000 0.286 17 Y C 2.521 178.333 175.900 -0.146 0.000 1.155 17 Y CA 2.124 60.017 58.100 -0.344 0.000 1.164 17 Y CB -0.278 37.881 38.460 -0.502 0.000 0.978 17 Y HN 0.214 nan 8.280 nan 0.000 0.513 18 S N -0.019 115.678 115.700 -0.004 0.000 2.383 18 S HA -0.159 4.310 4.470 -0.000 0.000 0.227 18 S C 1.839 176.415 174.600 -0.039 0.000 1.026 18 S CA 1.436 59.625 58.200 -0.018 0.000 0.981 18 S CB -0.198 63.039 63.200 0.061 0.000 0.818 18 S HN 0.444 nan 8.310 nan 0.000 0.472 19 K N 0.840 121.240 120.400 -0.001 0.000 2.057 19 K HA 0.089 4.409 4.320 -0.000 0.000 0.206 19 K C 1.948 178.607 176.600 0.097 0.000 1.050 19 K CA 1.012 57.334 56.287 0.058 0.000 0.935 19 K CB -0.267 32.288 32.500 0.091 0.000 0.715 19 K HN 0.322 nan 8.250 nan 0.000 0.439 20 I N 1.230 121.772 120.570 -0.048 0.000 2.315 20 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 20 I C 1.809 177.986 176.117 0.099 0.000 1.117 20 I CA 1.077 62.303 61.300 -0.123 0.000 1.404 20 I CB -0.017 37.808 38.000 -0.291 0.000 1.071 20 I HN 0.037 nan 8.210 nan 0.000 0.419 21 K N 0.159 120.479 120.400 -0.135 0.000 2.400 21 K HA 0.012 4.332 4.320 -0.000 0.000 0.194 21 K C 0.242 176.786 176.600 -0.093 0.000 1.033 21 K CA 0.191 56.356 56.287 -0.204 0.000 1.021 21 K CB -0.641 31.573 32.500 -0.477 0.000 0.808 21 K HN 0.168 nan 8.250 nan 0.000 0.505 22 D N 3.339 123.732 120.400 -0.011 0.000 2.426 22 D HA -0.032 4.607 4.640 -0.000 0.000 0.261 22 D C -1.258 175.062 176.300 0.034 0.000 1.245 22 D CA -1.489 52.517 54.000 0.010 0.000 0.917 22 D CB 1.006 41.823 40.800 0.029 0.000 1.123 22 D HN -0.039 nan 8.370 nan 0.000 0.508 23 P HA -0.228 nan 4.420 nan 0.000 0.218 23 P C 0.951 178.259 177.300 0.013 0.000 1.146 23 P CA 1.156 64.259 63.100 0.005 0.000 0.813 23 P CB 0.125 31.816 31.700 -0.016 0.000 0.778 24 A N 0.133 122.956 122.820 0.005 0.000 2.015 24 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 24 A C 2.082 179.650 177.584 -0.025 0.000 1.163 24 A CA 1.394 53.426 52.037 -0.007 0.000 0.646 24 A CB -1.085 17.910 19.000 -0.009 0.000 0.806 24 A HN 0.135 nan 8.150 nan 0.000 0.448 25 N N -0.519 118.170 118.700 -0.020 0.000 2.457 25 N HA 0.054 4.794 4.740 -0.000 0.000 0.180 25 N C 1.213 176.618 175.510 -0.175 0.000 1.050 25 N CA 1.114 54.106 53.050 -0.096 0.000 0.906 25 N CB -0.162 38.304 38.487 -0.035 0.000 0.968 25 N HN 0.634 nan 8.380 nan 0.000 0.445 26 G N 0.191 108.963 108.800 -0.046 0.000 2.198 26 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.257 26 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.257 26 G C 0.422 175.311 174.900 -0.018 0.000 1.042 26 G CA 0.296 45.388 45.100 -0.013 0.000 0.791 26 G HN 0.372 nan 8.290 nan 0.000 0.502 27 Y N -1.229 119.103 120.300 0.053 0.000 2.457 27 Y HA 0.390 4.940 4.550 -0.000 0.000 0.292 27 Y C 1.444 177.006 175.900 -0.565 0.000 1.125 27 Y CA 0.773 58.805 58.100 -0.114 0.000 1.254 27 Y CB 0.115 38.547 38.460 -0.047 0.000 1.012 27 Y HN 0.328 nan 8.280 nan 0.000 0.555 28 F N -1.250 118.518 119.950 -0.303 0.000 2.556 28 F HA 0.418 4.945 4.527 -0.000 0.000 0.327 28 F C 0.569 175.908 175.800 -0.768 0.000 1.059 28 F CA -1.638 55.975 58.000 -0.645 0.000 0.953 28 F CB 0.988 39.729 39.000 -0.431 0.000 1.227 28 F HN -0.362 nan 8.300 nan 0.000 0.478 29 S N -0.357 114.898 115.700 -0.743 0.000 2.681 29 S HA 0.210 4.680 4.470 -0.000 0.000 0.270 29 S C 0.828 175.330 174.600 -0.163 0.000 1.209 29 S CA -0.307 57.626 58.200 -0.445 0.000 0.988 29 S CB 0.914 63.870 63.200 -0.407 0.000 1.006 29 S HN 0.799 nan 8.310 nan 0.000 0.558 30 E N -0.241 119.918 120.200 -0.069 0.000 2.463 30 E HA -0.203 4.147 4.350 -0.000 0.000 0.201 30 E C 1.195 177.767 176.600 -0.047 0.000 1.045 30 E CA 1.005 57.381 56.400 -0.040 0.000 0.872 30 E CB -0.466 29.229 29.700 -0.008 0.000 0.797 30 E HN 0.764 nan 8.360 nan 0.000 0.538 31 Q N -0.139 119.606 119.800 -0.092 0.000 2.319 31 Q HA 0.199 4.539 4.340 -0.000 0.000 0.202 31 Q C 0.801 176.794 176.000 -0.012 0.000 0.896 31 Q CA 0.331 56.094 55.803 -0.066 0.000 0.942 31 Q CB 1.135 29.732 28.738 -0.235 0.000 1.083 31 Q HN 0.482 nan 8.270 nan 0.000 0.510 32 G N 1.080 109.856 108.800 -0.041 0.000 2.132 32 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.234 32 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.234 32 G C -0.021 174.943 174.900 0.108 0.000 0.989 32 G CA -0.240 44.871 45.100 0.018 0.000 0.676 32 G HN 0.310 nan 8.290 nan 0.000 0.522 33 I N 2.539 123.059 120.570 -0.083 0.000 2.353 33 I HA 0.349 4.519 4.170 -0.000 0.000 0.293 33 I C -1.633 174.161 176.117 -0.539 0.000 0.992 33 I CA -2.532 58.642 61.300 -0.210 0.000 1.268 33 I CB 1.656 39.475 38.000 -0.302 0.000 1.387 33 I HN -0.088 nan 8.210 nan 0.000 0.478 34 P HA 0.123 nan 4.420 nan 0.000 0.279 34 P C -1.327 175.440 177.300 -0.889 0.000 1.239 34 P CA -0.093 62.116 63.100 -1.484 0.000 0.789 34 P CB 0.606 30.970 31.700 -2.227 0.000 0.933 35 Y N 0.429 120.318 120.300 -0.685 0.000 2.326 35 Y HA 0.122 4.671 4.550 -0.000 0.000 0.324 35 Y C 2.316 178.114 175.900 -0.170 0.000 1.291 35 Y CA -0.026 57.835 58.100 -0.398 0.000 1.348 35 Y CB -0.104 38.041 38.460 -0.524 0.000 1.294 35 Y HN 0.520 nan 8.280 nan 0.000 0.525 36 H N 0.012 119.139 119.070 0.094 0.000 2.423 36 H HA 0.053 4.609 4.556 -0.000 0.000 0.297 36 H C -0.247 175.211 175.328 0.216 0.000 1.075 36 H CA 1.049 57.202 56.048 0.174 0.000 1.342 36 H CB 0.312 30.160 29.762 0.143 0.000 1.395 36 H HN 0.465 nan 8.280 nan 0.000 0.530 37 S N -2.212 113.584 115.700 0.159 0.000 2.567 37 S HA 0.208 4.678 4.470 -0.000 0.000 0.270 37 S C 0.679 175.333 174.600 0.090 0.000 1.152 37 S CA -0.453 57.818 58.200 0.118 0.000 0.835 37 S CB 0.223 63.480 63.200 0.095 0.000 1.115 37 S HN 0.133 nan 8.310 nan 0.000 0.459 38 I N 0.598 121.184 120.570 0.027 0.000 2.179 38 I HA -0.100 4.070 4.170 -0.000 0.000 0.242 38 I C 0.628 176.761 176.117 0.027 0.000 1.088 38 I CA 1.224 62.488 61.300 -0.060 0.000 1.357 38 I CB -0.379 37.453 38.000 -0.281 0.000 1.051 38 I HN 0.646 nan 8.210 nan 0.000 0.409 39 E N 0.978 121.183 120.200 0.008 0.000 2.384 39 E HA -0.011 4.339 4.350 -0.000 0.000 0.266 39 E C 1.225 177.731 176.600 -0.156 0.000 1.012 39 E CA 0.373 56.750 56.400 -0.038 0.000 0.901 39 E CB 0.544 30.265 29.700 0.034 0.000 0.967 39 E HN 0.267 nan 8.360 nan 0.000 0.435 40 T N 0.351 114.714 114.554 -0.318 0.000 2.978 40 T HA -0.035 4.315 4.350 -0.000 0.000 0.262 40 T C 0.953 175.530 174.700 -0.205 0.000 1.063 40 T CA -0.193 61.545 62.100 -0.602 0.000 1.140 40 T CB 0.025 68.434 68.868 -0.765 0.000 0.886 40 T HN 0.223 nan 8.240 nan 0.000 0.470 41 L N 2.473 123.749 121.223 0.089 0.000 2.505 41 L HA 0.503 4.843 4.340 -0.000 0.000 0.279 41 L C -0.454 176.588 176.870 0.287 0.000 1.211 41 L CA 0.041 55.075 54.840 0.324 0.000 1.059 41 L CB -0.334 41.865 42.059 0.234 0.000 1.340 41 L HN 0.372 nan 8.230 nan 0.000 0.447 42 M N 4.902 124.677 119.600 0.292 0.000 2.271 42 M HA 0.620 5.100 4.480 -0.000 0.000 0.285 42 M C -1.908 174.495 176.300 0.171 0.000 1.059 42 M CA -0.376 55.073 55.300 0.249 0.000 0.940 42 M CB 1.904 34.605 32.600 0.167 0.000 1.636 42 M HN -0.037 nan 8.290 nan 0.000 0.460 43 V N 6.199 126.184 119.914 0.119 0.000 2.567 43 V HA 0.578 4.698 4.120 -0.000 0.000 0.298 43 V C -0.342 175.704 176.094 -0.080 0.000 1.047 43 V CA -0.118 62.069 62.300 -0.188 0.000 0.880 43 V CB 1.323 32.622 31.823 -0.873 0.000 1.009 43 V HN 1.014 nan 8.190 nan 0.000 0.429 44 E N 3.983 124.123 120.200 -0.099 0.000 2.597 44 E HA 0.309 4.659 4.350 -0.000 0.000 0.256 44 E C 1.001 177.606 176.600 0.008 0.000 1.120 44 E CA 0.554 56.944 56.400 -0.016 0.000 1.824 44 E CB 0.660 30.402 29.700 0.070 0.000 3.035 44 E HN 0.554 nan 8.360 nan 0.000 1.045 45 A N 1.326 124.172 122.820 0.042 0.000 2.018 45 A HA 0.439 4.758 4.320 -0.000 0.000 0.201 45 A C -1.961 175.736 177.584 0.189 0.000 1.892 45 A CA 0.209 52.367 52.037 0.201 0.000 0.962 45 A CB -0.598 18.537 19.000 0.225 0.000 1.195 45 A HN 0.231 nan 8.150 nan 0.000 0.615 46 P HA 0.280 nan 4.420 nan 0.000 0.278 46 P C -1.320 175.943 177.300 -0.061 0.000 1.266 46 P CA 0.191 63.263 63.100 -0.047 0.000 0.807 46 P CB 0.881 32.472 31.700 -0.182 0.000 1.094 47 D N -1.561 118.848 120.400 0.014 0.000 2.424 47 D HA 0.119 4.759 4.640 -0.000 0.000 0.220 47 D C -0.590 175.877 176.300 0.279 0.000 1.150 47 D CA -0.295 53.753 54.000 0.080 0.000 0.831 47 D CB -0.565 40.333 40.800 0.162 0.000 0.981 47 D HN 0.234 nan 8.370 nan 0.000 0.500 48 Y N -0.550 119.730 120.300 -0.033 0.000 2.436 48 Y HA 0.484 5.034 4.550 -0.000 0.000 0.327 48 Y C 1.169 176.971 175.900 -0.163 0.000 1.138 48 Y CA -1.044 56.926 58.100 -0.217 0.000 1.042 48 Y CB 1.794 39.912 38.460 -0.570 0.000 1.302 48 Y HN -0.133 nan 8.280 nan 0.000 0.439 49 G N 2.374 110.752 108.800 -0.703 0.000 2.442 49 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.219 49 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.219 49 G C 0.696 175.381 174.900 -0.357 0.000 1.141 49 G CA 0.963 45.805 45.100 -0.430 0.000 0.763 49 G HN 0.837 nan 8.290 nan 0.000 0.554 50 H N -0.637 117.759 119.070 -1.123 0.000 2.568 50 H HA 0.318 4.874 4.556 -0.000 0.000 0.302 50 H C 0.004 175.236 175.328 -0.160 0.000 1.065 50 H CA -0.587 55.040 56.048 -0.701 0.000 1.140 50 H CB 0.385 29.545 29.762 -1.004 0.000 1.474 50 H HN 0.255 nan 8.280 nan 0.000 0.545 51 V N -1.301 118.631 119.914 0.029 0.000 2.483 51 V HA 0.438 4.558 4.120 -0.000 0.000 0.295 51 V C 0.209 176.339 176.094 0.060 0.000 1.035 51 V CA -0.569 61.789 62.300 0.096 0.000 0.896 51 V CB 1.978 33.870 31.823 0.115 0.000 0.986 51 V HN 0.014 nan 8.190 nan 0.000 0.447 52 T N 3.359 117.933 114.554 0.034 0.000 2.937 52 T HA 0.810 5.159 4.350 -0.000 0.000 0.283 52 T C 0.093 174.791 174.700 -0.002 0.000 1.012 52 T CA 0.386 62.511 62.100 0.042 0.000 0.997 52 T CB 1.580 70.438 68.868 -0.018 0.000 1.136 52 T HN 1.306 nan 8.240 nan 0.000 0.551 53 T N -1.288 113.313 114.554 0.078 0.000 2.907 53 T HA 0.450 4.800 4.350 -0.000 0.000 0.290 53 T C 1.383 176.151 174.700 0.114 0.000 1.066 53 T CA -0.101 62.052 62.100 0.089 0.000 1.012 53 T CB 1.217 70.231 68.868 0.243 0.000 1.184 53 T HN 0.516 nan 8.240 nan 0.000 0.522 54 S N -0.225 115.549 115.700 0.125 0.000 2.402 54 S HA -0.148 4.322 4.470 -0.000 0.000 0.229 54 S C 1.744 176.403 174.600 0.099 0.000 1.021 54 S CA 1.042 59.296 58.200 0.090 0.000 0.974 54 S CB -0.780 62.471 63.200 0.084 0.000 0.800 54 S HN 0.884 nan 8.310 nan 0.000 0.484 55 E N 2.217 122.496 120.200 0.132 0.000 2.130 55 E HA -0.229 4.121 4.350 -0.000 0.000 0.196 55 E C 2.061 178.846 176.600 0.307 0.000 0.998 55 E CA 1.294 57.772 56.400 0.129 0.000 0.806 55 E CB -0.523 29.247 29.700 0.116 0.000 0.738 55 E HN 0.645 nan 8.360 nan 0.000 0.459 56 A N 1.039 124.060 122.820 0.335 0.000 1.873 56 A HA -0.157 4.163 4.320 -0.000 0.000 0.215 56 A C 2.217 180.064 177.584 0.437 0.000 1.186 56 A CA 1.670 53.980 52.037 0.454 0.000 0.616 56 A CB -0.392 18.778 19.000 0.283 0.000 0.823 56 A HN 0.285 nan 8.150 nan 0.000 0.442 57 M N 1.059 120.804 119.600 0.241 0.000 2.108 57 M HA -0.143 4.336 4.480 -0.000 0.000 0.261 57 M C 2.452 178.861 176.300 0.182 0.000 1.066 57 M CA 2.075 57.503 55.300 0.213 0.000 1.107 57 M CB -1.726 30.906 32.600 0.054 0.000 1.356 57 M HN 0.676 nan 8.290 nan 0.000 0.406 58 S N -0.669 115.093 115.700 0.103 0.000 2.399 58 S HA -0.158 4.312 4.470 -0.000 0.000 0.231 58 S C 1.948 176.625 174.600 0.129 0.000 1.022 58 S CA 0.911 59.108 58.200 -0.005 0.000 0.983 58 S CB -0.881 62.242 63.200 -0.129 0.000 0.803 58 S HN 0.430 nan 8.310 nan 0.000 0.480 59 Y N 0.100 120.600 120.300 0.332 0.000 2.457 59 Y HA 0.095 4.645 4.550 -0.000 0.000 0.292 59 Y C 2.406 178.657 175.900 0.586 0.000 1.125 59 Y CA 0.653 59.037 58.100 0.473 0.000 1.254 59 Y CB -0.433 38.270 38.460 0.405 0.000 1.012 59 Y HN 0.371 nan 8.280 nan 0.000 0.555 60 Y N 0.203 120.866 120.300 0.605 0.000 2.220 60 Y HA -0.224 4.326 4.550 -0.000 0.000 0.291 60 Y C 1.975 178.150 175.900 0.458 0.000 1.129 60 Y CA 1.287 59.742 58.100 0.592 0.000 1.161 60 Y CB -0.633 38.083 38.460 0.428 0.000 0.997 60 Y HN 0.110 nan 8.280 nan 0.000 0.522 61 M N -1.969 117.785 119.600 0.257 0.000 2.159 61 M HA -0.239 4.240 4.480 -0.000 0.000 0.263 61 M C 1.991 178.675 176.300 0.641 0.000 1.063 61 M CA 1.747 57.160 55.300 0.189 0.000 1.110 61 M CB -0.773 31.804 32.600 -0.037 0.000 1.374 61 M HN 0.324 nan 8.290 nan 0.000 0.411 62 W N 1.298 122.820 121.300 0.370 0.000 2.379 62 W HA -0.137 4.523 4.660 -0.000 0.000 0.307 62 W C 2.131 178.924 176.519 0.457 0.000 1.200 62 W CA 1.197 58.765 57.345 0.372 0.000 1.297 62 W CB -0.871 28.721 29.460 0.220 0.000 1.140 62 W HN 0.152 nan 8.180 nan 0.000 0.507 63 L N 1.293 122.931 121.223 0.692 0.000 1.989 63 L HA -0.212 4.128 4.340 -0.000 0.000 0.211 63 L C 2.348 179.650 176.870 0.721 0.000 1.071 63 L CA 2.254 57.480 54.840 0.644 0.000 0.749 63 L CB -0.987 41.436 42.059 0.608 0.000 0.890 63 L HN -0.192 nan 8.230 nan 0.000 0.431 64 E N -0.031 120.595 120.200 0.711 0.000 2.153 64 E HA -0.172 4.177 4.350 -0.000 0.000 0.194 64 E C 2.186 179.122 176.600 0.560 0.000 0.988 64 E CA 1.191 57.991 56.400 0.668 0.000 0.811 64 E CB -0.437 29.609 29.700 0.576 0.000 0.746 64 E HN 0.668 nan 8.360 nan 0.000 0.466 65 A N 0.969 124.160 122.820 0.617 0.000 1.898 65 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 65 A C 2.188 180.012 177.584 0.401 0.000 1.181 65 A CA 1.668 53.949 52.037 0.408 0.000 0.620 65 A CB -0.373 18.877 19.000 0.416 0.000 0.819 65 A HN 0.200 nan 8.150 nan 0.000 0.442 66 M N -1.009 118.805 119.600 0.356 0.000 2.229 66 M HA -0.106 4.374 4.480 -0.000 0.000 0.264 66 M C 1.829 177.894 176.300 -0.392 0.000 1.063 66 M CA 2.166 57.349 55.300 -0.194 0.000 1.114 66 M CB -0.637 31.796 32.600 -0.277 0.000 1.387 66 M HN 0.640 nan 8.290 nan 0.000 0.420 67 H N -0.797 118.248 119.070 -0.042 0.000 2.363 67 H HA 0.125 4.680 4.556 -0.000 0.000 0.301 67 H C 1.898 177.027 175.328 -0.332 0.000 1.074 67 H CA 2.055 58.040 56.048 -0.105 0.000 1.354 67 H CB -0.682 28.896 29.762 -0.306 0.000 1.397 67 H HN 0.409 nan 8.280 nan 0.000 0.516 68 G N 0.242 108.669 108.800 -0.622 0.000 2.440 68 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.218 68 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.218 68 G C 1.867 176.210 174.900 -0.929 0.000 1.154 68 G CA 0.898 45.142 45.100 -1.426 0.000 0.767 68 G HN 0.413 nan 8.290 nan 0.000 0.552 69 R N -0.059 120.085 120.500 -0.594 0.000 2.127 69 R HA -0.022 4.318 4.340 -0.000 0.000 0.238 69 R C 1.790 177.707 176.300 -0.639 0.000 1.134 69 R CA 1.380 57.113 56.100 -0.612 0.000 0.975 69 R CB -0.630 28.854 30.300 -1.360 0.000 0.865 69 R HN 0.371 nan 8.270 nan 0.000 0.447 70 F N -0.839 118.863 119.950 -0.413 0.000 2.714 70 F HA 0.244 4.770 4.527 -0.000 0.000 0.294 70 F C 2.096 177.741 175.800 -0.258 0.000 1.120 70 F CA 0.732 58.548 58.000 -0.307 0.000 1.398 70 F CB 0.144 38.984 39.000 -0.266 0.000 1.120 70 F HN 0.206 nan 8.300 nan 0.000 0.589 71 S N -1.697 113.865 115.700 -0.230 0.000 2.526 71 S HA 0.417 4.887 4.470 -0.000 0.000 0.220 71 S C 1.772 176.272 174.600 -0.167 0.000 1.017 71 S CA 0.437 58.497 58.200 -0.233 0.000 0.930 71 S CB 0.331 63.247 63.200 -0.474 0.000 0.856 71 S HN 0.441 nan 8.310 nan 0.000 0.497 72 G N 1.320 110.015 108.800 -0.175 0.000 2.184 72 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.264 72 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.264 72 G C -0.307 174.624 174.900 0.051 0.000 0.975 72 G CA 0.312 45.424 45.100 0.020 0.000 0.642 72 G HN 0.671 nan 8.290 nan 0.000 0.536 73 D N -0.615 119.680 120.400 -0.176 0.000 2.392 73 D HA 0.607 5.247 4.640 -0.000 0.000 0.228 73 D C 0.429 176.640 176.300 -0.148 0.000 1.074 73 D CA -0.922 53.049 54.000 -0.049 0.000 0.838 73 D CB 0.216 41.002 40.800 -0.025 0.000 1.067 73 D HN -0.011 nan 8.370 nan 0.000 0.511 74 F N 1.133 121.154 119.950 0.119 0.000 2.653 74 F HA 0.060 4.587 4.527 -0.000 0.000 0.304 74 F C 2.378 178.338 175.800 0.266 0.000 1.092 74 F CA -0.015 58.104 58.000 0.199 0.000 1.279 74 F CB 0.304 39.395 39.000 0.152 0.000 1.044 74 F HN 0.364 nan 8.300 nan 0.000 0.564 75 T N -3.221 111.532 114.554 0.333 0.000 2.915 75 T HA -0.071 4.279 4.350 -0.000 0.000 0.269 75 T C 2.327 177.190 174.700 0.272 0.000 1.071 75 T CA 1.274 63.537 62.100 0.273 0.000 1.132 75 T CB -0.610 68.378 68.868 0.201 0.000 0.878 75 T HN 0.304 nan 8.240 nan 0.000 0.479 76 G N 0.010 108.997 108.800 0.312 0.000 2.464 76 G HA2 0.017 3.977 3.960 -0.000 0.000 0.217 76 G HA3 0.017 3.977 3.960 -0.000 0.000 0.217 76 G C 1.147 176.219 174.900 0.287 0.000 1.138 76 G CA 0.242 45.525 45.100 0.305 0.000 0.793 76 G HN 0.505 nan 8.290 nan 0.000 0.539 77 F N 1.682 121.776 119.950 0.240 0.000 2.206 77 F HA 0.067 4.593 4.527 -0.000 0.000 0.298 77 F C 1.990 177.947 175.800 0.261 0.000 1.090 77 F CA 1.244 59.394 58.000 0.250 0.000 1.323 77 F CB 0.160 39.390 39.000 0.383 0.000 1.028 77 F HN 0.032 nan 8.300 nan 0.000 0.492 78 D N 0.403 120.991 120.400 0.313 0.000 2.144 78 D HA -0.169 4.471 4.640 -0.000 0.000 0.200 78 D C 2.123 178.491 176.300 0.113 0.000 0.978 78 D CA 1.067 55.191 54.000 0.207 0.000 0.833 78 D CB -0.305 40.635 40.800 0.232 0.000 0.961 78 D HN 0.308 nan 8.370 nan 0.000 0.470 79 K N 0.679 121.140 120.400 0.102 0.000 2.217 79 K HA -0.093 4.227 4.320 -0.000 0.000 0.202 79 K C 2.053 178.653 176.600 0.001 0.000 1.051 79 K CA 1.043 57.379 56.287 0.081 0.000 0.952 79 K CB 0.070 32.638 32.500 0.113 0.000 0.736 79 K HN 0.044 nan 8.250 nan 0.000 0.453 80 S N -0.582 115.002 115.700 -0.194 0.000 2.382 80 S HA -0.165 4.304 4.470 -0.000 0.000 0.228 80 S C 1.693 176.085 174.600 -0.346 0.000 1.027 80 S CA 0.696 58.570 58.200 -0.544 0.000 0.991 80 S CB -0.496 62.103 63.200 -1.002 0.000 0.823 80 S HN 0.550 nan 8.310 nan 0.000 0.469 81 W N 1.514 122.631 121.300 -0.305 0.000 2.584 81 W HA 0.239 4.899 4.660 -0.000 0.000 0.264 81 W C 2.782 179.256 176.519 -0.075 0.000 1.264 81 W CA 0.554 57.785 57.345 -0.192 0.000 1.306 81 W CB -0.071 29.262 29.460 -0.212 0.000 1.110 81 W HN 0.301 nan 8.180 nan 0.000 0.606 82 S N -0.250 115.549 115.700 0.164 0.000 2.371 82 S HA -0.157 4.313 4.470 -0.000 0.000 0.224 82 S C 1.839 176.477 174.600 0.064 0.000 1.029 82 S CA 1.303 59.570 58.200 0.112 0.000 0.978 82 S CB -0.661 62.587 63.200 0.079 0.000 0.833 82 S HN -0.003 nan 8.310 nan 0.000 0.466 83 V N 1.992 121.962 119.914 0.093 0.000 2.332 83 V HA -0.197 3.923 4.120 -0.000 0.000 0.248 83 V C 2.488 178.663 176.094 0.135 0.000 1.055 83 V CA 2.081 64.478 62.300 0.163 0.000 1.038 83 V CB -1.346 30.647 31.823 0.283 0.000 0.651 83 V HN 0.504 nan 8.190 nan 0.000 0.450 84 T N -0.347 114.246 114.554 0.065 0.000 2.595 84 T HA -0.277 4.073 4.350 -0.000 0.000 0.264 84 T C 1.893 176.617 174.700 0.039 0.000 1.058 84 T CA 1.949 64.058 62.100 0.015 0.000 1.166 84 T CB -0.302 68.465 68.868 -0.169 0.000 0.863 84 T HN 0.646 nan 8.240 nan 0.000 0.415 85 E N 0.536 120.788 120.200 0.087 0.000 2.160 85 E HA -0.231 4.118 4.350 -0.000 0.000 0.195 85 E C 2.259 178.847 176.600 -0.020 0.000 0.991 85 E CA 1.174 57.617 56.400 0.072 0.000 0.810 85 E CB -0.055 29.755 29.700 0.183 0.000 0.742 85 E HN 0.544 nan 8.360 nan 0.000 0.466 86 Q N -1.376 118.353 119.800 -0.117 0.000 2.096 86 Q HA -0.120 4.220 4.340 -0.000 0.000 0.197 86 Q C 0.968 176.728 176.000 -0.400 0.000 0.964 86 Q CA 1.238 56.833 55.803 -0.347 0.000 0.838 86 Q CB 0.183 28.550 28.738 -0.617 0.000 0.906 86 Q HN 0.387 nan 8.270 nan 0.000 0.444 87 Y N -1.527 118.770 120.300 -0.005 0.000 2.483 87 Y HA 0.205 4.755 4.550 -0.000 0.000 0.258 87 Y C 1.397 177.260 175.900 -0.061 0.000 1.083 87 Y CA 0.072 58.129 58.100 -0.073 0.000 1.283 87 Y CB 0.635 39.037 38.460 -0.097 0.000 1.178 87 Y HN 0.019 nan 8.280 nan 0.000 0.515 88 L N -0.447 120.883 121.223 0.179 0.000 2.609 88 L HA 0.276 4.616 4.340 -0.000 0.000 0.230 88 L C -0.071 176.934 176.870 0.225 0.000 1.087 88 L CA 0.336 55.309 54.840 0.223 0.000 0.874 88 L CB 0.541 42.673 42.059 0.122 0.000 1.114 88 L HN -0.009 nan 8.230 nan 0.000 0.488 89 I N 1.739 122.364 120.570 0.092 0.000 2.306 89 I HA 0.221 4.391 4.170 -0.000 0.000 0.288 89 I C -2.123 173.970 176.117 -0.039 0.000 1.036 89 I CA -1.951 59.321 61.300 -0.047 0.000 1.221 89 I CB 1.118 38.977 38.000 -0.235 0.000 1.385 89 I HN -0.238 nan 8.210 nan 0.000 0.472 90 P HA -0.064 nan 4.420 nan 0.000 0.260 90 P C 0.292 177.505 177.300 -0.144 0.000 1.172 90 P CA 0.277 63.160 63.100 -0.363 0.000 0.760 90 P CB 0.286 31.462 31.700 -0.874 0.000 0.773 91 T N 0.042 114.549 114.554 -0.078 0.000 2.753 91 T HA 0.106 4.456 4.350 -0.000 0.000 0.309 91 T C 1.205 175.869 174.700 -0.059 0.000 1.043 91 T CA -0.218 61.853 62.100 -0.048 0.000 0.964 91 T CB 0.328 69.174 68.868 -0.036 0.000 1.206 91 T HN 0.321 nan 8.240 nan 0.000 0.528 92 E N 0.153 120.330 120.200 -0.040 0.000 2.150 92 E HA -0.057 4.293 4.350 -0.000 0.000 0.193 92 E C 2.128 178.700 176.600 -0.047 0.000 0.985 92 E CA 1.015 57.396 56.400 -0.032 0.000 0.814 92 E CB -0.241 29.449 29.700 -0.016 0.000 0.752 92 E HN 0.632 nan 8.360 nan 0.000 0.466 93 K N 0.691 121.048 120.400 -0.071 0.000 2.103 93 K HA -0.074 4.246 4.320 -0.000 0.000 0.204 93 K C 1.435 177.933 176.600 -0.170 0.000 1.052 93 K CA 1.298 57.516 56.287 -0.116 0.000 0.945 93 K CB 0.073 32.478 32.500 -0.158 0.000 0.722 93 K HN 0.131 nan 8.250 nan 0.000 0.443 94 D N 1.056 121.370 120.400 -0.144 0.000 2.234 94 D HA -0.102 4.538 4.640 -0.000 0.000 0.205 94 D C 0.577 176.810 176.300 -0.112 0.000 0.962 94 D CA 0.990 54.938 54.000 -0.085 0.000 0.855 94 D CB 0.205 40.923 40.800 -0.136 0.000 0.951 94 D HN 0.429 nan 8.370 nan 0.000 0.500 95 Q N 0.417 120.091 119.800 -0.211 0.000 3.122 95 Q HA 0.397 4.737 4.340 -0.000 0.000 0.282 95 Q C -2.894 173.002 176.000 -0.173 0.000 0.947 95 Q CA -1.894 53.699 55.803 -0.351 0.000 0.812 95 Q CB 1.148 29.943 28.738 0.095 0.000 1.333 95 Q HN -0.246 nan 8.270 nan 0.000 0.430 96 P HA -0.128 nan 4.420 nan 0.000 0.252 96 P C 0.135 177.468 177.300 0.056 0.000 1.147 96 P CA 0.617 63.713 63.100 -0.006 0.000 0.779 96 P CB 0.448 32.176 31.700 0.048 0.000 0.733 97 N N 2.836 121.565 118.700 0.049 0.000 2.272 97 N HA -0.158 4.582 4.740 -0.000 0.000 0.185 97 N C 1.435 176.991 175.510 0.077 0.000 1.014 97 N CA 1.874 54.962 53.050 0.062 0.000 0.870 97 N CB -0.303 38.212 38.487 0.047 0.000 0.975 97 N HN 0.403 nan 8.380 nan 0.000 0.433 98 T N -3.721 110.878 114.554 0.074 0.000 2.803 98 T HA -0.059 4.290 4.350 -0.000 0.000 0.269 98 T C 1.942 176.696 174.700 0.091 0.000 1.052 98 T CA 1.617 63.764 62.100 0.078 0.000 1.136 98 T CB -0.441 68.471 68.868 0.074 0.000 0.864 98 T HN 0.025 nan 8.240 nan 0.000 0.467 99 S N 0.708 116.469 115.700 0.102 0.000 2.404 99 S HA 0.225 4.695 4.470 -0.000 0.000 0.223 99 S C 2.039 176.710 174.600 0.118 0.000 1.040 99 S CA 0.445 58.697 58.200 0.087 0.000 0.957 99 S CB -0.185 63.060 63.200 0.075 0.000 0.826 99 S HN 0.254 nan 8.310 nan 0.000 0.491 100 M N 2.200 121.889 119.600 0.149 0.000 2.213 100 M HA 0.004 4.484 4.480 -0.000 0.000 0.263 100 M C 2.202 178.585 176.300 0.137 0.000 1.062 100 M CA 1.142 56.520 55.300 0.130 0.000 1.105 100 M CB -1.699 30.962 32.600 0.100 0.000 1.385 100 M HN 0.441 nan 8.290 nan 0.000 0.417 101 S N -0.704 115.070 115.700 0.124 0.000 2.561 101 S HA 0.019 4.489 4.470 -0.000 0.000 0.225 101 S C 1.623 176.311 174.600 0.146 0.000 0.977 101 S CA 0.271 58.546 58.200 0.125 0.000 0.926 101 S CB -0.091 63.165 63.200 0.093 0.000 0.769 101 S HN 0.284 nan 8.310 nan 0.000 0.533 102 R N 0.301 120.900 120.500 0.166 0.000 2.317 102 R HA 0.284 4.623 4.340 -0.000 0.000 0.208 102 R C -0.202 176.220 176.300 0.204 0.000 0.914 102 R CA -0.361 55.839 56.100 0.167 0.000 1.060 102 R CB -1.049 29.356 30.300 0.175 0.000 1.015 102 R HN 0.626 nan 8.270 nan 0.000 0.498 103 Y N 1.769 122.126 120.300 0.095 0.000 2.712 103 Y HA -0.043 4.507 4.550 -0.000 0.000 0.333 103 Y C -0.191 175.749 175.900 0.067 0.000 1.225 103 Y CA -0.413 57.743 58.100 0.094 0.000 1.499 103 Y CB 0.396 38.894 38.460 0.065 0.000 1.288 103 Y HN -0.057 nan 8.280 nan 0.000 0.575 104 D N 4.494 124.532 120.400 -0.605 0.000 2.425 104 D HA 0.422 5.062 4.640 -0.000 0.000 0.240 104 D C 0.231 176.053 176.300 -0.796 0.000 1.080 104 D CA -0.003 53.700 54.000 -0.494 0.000 0.836 104 D CB 1.451 42.112 40.800 -0.232 0.000 1.125 104 D HN 0.692 nan 8.370 nan 0.000 0.525 105 A N 4.164 126.661 122.820 -0.539 0.000 2.121 105 A HA -0.127 4.192 4.320 -0.000 0.000 0.218 105 A C 1.554 178.948 177.584 -0.316 0.000 1.154 105 A CA 0.780 52.578 52.037 -0.397 0.000 0.679 105 A CB -0.245 18.660 19.000 -0.158 0.000 0.795 105 A HN 0.643 nan 8.150 nan 0.000 0.458 106 N N -0.586 117.967 118.700 -0.245 0.000 2.415 106 N HA -0.001 4.738 4.740 -0.000 0.000 0.176 106 N C 0.286 175.704 175.510 -0.154 0.000 1.042 106 N CA 0.641 53.588 53.050 -0.173 0.000 0.902 106 N CB 0.235 38.652 38.487 -0.117 0.000 0.986 106 N HN 0.131 nan 8.380 nan 0.000 0.447 107 K N 0.715 121.010 120.400 -0.176 0.000 2.920 107 K HA 0.284 4.604 4.320 -0.000 0.000 0.175 107 K C -2.109 174.427 176.600 -0.108 0.000 1.099 107 K CA -1.645 54.582 56.287 -0.099 0.000 0.939 107 K CB 1.726 34.186 32.500 -0.067 0.000 1.148 107 K HN -0.151 nan 8.250 nan 0.000 0.613 108 P HA -0.087 nan 4.420 nan 0.000 0.219 108 P C -0.205 177.295 177.300 0.334 0.000 1.146 108 P CA 0.690 63.806 63.100 0.026 0.000 0.808 108 P CB 0.469 32.166 31.700 -0.006 0.000 0.779 109 A N -3.225 119.783 122.820 0.315 0.000 2.540 109 A HA 0.549 4.869 4.320 -0.000 0.000 0.291 109 A C -1.150 176.576 177.584 0.237 0.000 1.083 109 A CA -0.484 51.776 52.037 0.373 0.000 0.650 109 A CB 0.286 19.615 19.000 0.548 0.000 1.292 109 A HN -0.209 nan 8.150 nan 0.000 0.435 110 T N 1.221 115.852 114.554 0.128 0.000 2.767 110 T HA 0.489 4.839 4.350 -0.000 0.000 0.284 110 T C -0.432 174.194 174.700 -0.124 0.000 0.973 110 T CA 0.148 62.246 62.100 -0.003 0.000 0.996 110 T CB 0.407 69.234 68.868 -0.069 0.000 0.927 110 T HN 0.588 nan 8.240 nan 0.000 0.456 111 Y N 2.851 122.886 120.300 -0.442 0.000 2.597 111 Y HA 0.394 4.944 4.550 -0.000 0.000 0.336 111 Y C -0.118 175.541 175.900 -0.403 0.000 1.216 111 Y CA -0.383 57.200 58.100 -0.861 0.000 1.463 111 Y CB 0.236 38.320 38.460 -0.627 0.000 1.303 111 Y HN 0.736 nan 8.280 nan 0.000 0.576 112 A N 8.368 130.439 122.820 -1.248 0.000 2.465 112 A HA 0.520 4.840 4.320 -0.000 0.000 0.292 112 A C -2.938 174.026 177.584 -1.033 0.000 1.041 112 A CA -1.651 49.904 52.037 -0.802 0.000 0.718 112 A CB 1.148 19.954 19.000 -0.323 0.000 1.266 112 A HN 0.578 nan 8.150 nan 0.000 0.403 113 P HA 0.280 nan 4.420 nan 0.000 0.273 113 P C -0.592 176.255 177.300 -0.754 0.000 1.250 113 P CA 0.136 62.833 63.100 -0.673 0.000 0.793 113 P CB 0.954 32.348 31.700 -0.511 0.000 1.011 114 E N -0.131 119.677 120.200 -0.655 0.000 2.212 114 E HA 0.514 4.864 4.350 -0.000 0.000 0.268 114 E C -1.031 175.204 176.600 -0.607 0.000 0.902 114 E CA -0.467 55.656 56.400 -0.461 0.000 0.779 114 E CB 0.980 30.599 29.700 -0.136 0.000 1.172 114 E HN 0.302 nan 8.360 nan 0.000 0.409 115 F N 0.855 120.839 119.950 0.056 0.000 2.561 115 F HA 0.217 4.744 4.527 -0.000 0.000 0.321 115 F C 0.880 176.755 175.800 0.125 0.000 1.065 115 F CA -0.825 57.205 58.000 0.050 0.000 0.934 115 F CB 1.614 40.587 39.000 -0.044 0.000 1.215 115 F HN 0.315 nan 8.300 nan 0.000 0.471 116 Q N 0.224 120.183 119.800 0.266 0.000 2.444 116 Q HA 0.083 4.423 4.340 -0.000 0.000 0.206 116 Q C -0.861 175.214 176.000 0.125 0.000 0.948 116 Q CA 0.422 56.306 55.803 0.136 0.000 0.946 116 Q CB -0.146 28.637 28.738 0.074 0.000 1.027 116 Q HN 0.574 nan 8.270 nan 0.000 0.513 117 D N -2.287 118.219 120.400 0.176 0.000 2.990 117 D HA 0.223 4.863 4.640 -0.000 0.000 0.227 117 D C -2.233 174.137 176.300 0.117 0.000 1.249 117 D CA -1.936 52.118 54.000 0.089 0.000 0.891 117 D CB 1.699 42.502 40.800 0.006 0.000 1.647 117 D HN -0.303 nan 8.370 nan 0.000 0.530 118 P HA -0.149 nan 4.420 nan 0.000 0.218 118 P C 0.957 178.079 177.300 -0.298 0.000 1.146 118 P CA 0.999 64.073 63.100 -0.043 0.000 0.813 118 P CB 0.117 31.805 31.700 -0.020 0.000 0.778 119 S N -1.617 113.699 115.700 -0.641 0.000 2.561 119 S HA 0.007 4.477 4.470 -0.000 0.000 0.225 119 S C 1.492 175.695 174.600 -0.661 0.000 0.977 119 S CA 0.478 57.794 58.200 -1.473 0.000 0.926 119 S CB -0.646 61.934 63.200 -1.033 0.000 0.769 119 S HN 0.086 nan 8.310 nan 0.000 0.533 120 K N 0.380 120.621 120.400 -0.265 0.000 2.426 120 K HA 0.199 4.519 4.320 -0.000 0.000 0.193 120 K C -0.557 175.933 176.600 -0.185 0.000 1.028 120 K CA 0.123 56.205 56.287 -0.341 0.000 1.047 120 K CB -0.169 31.934 32.500 -0.662 0.000 0.821 120 K HN 0.484 nan 8.250 nan 0.000 0.513 121 Y N 2.239 122.523 120.300 -0.026 0.000 2.335 121 Y HA 0.193 4.743 4.550 -0.000 0.000 0.323 121 Y C -1.823 174.147 175.900 0.117 0.000 1.224 121 Y CA -2.911 55.265 58.100 0.126 0.000 1.241 121 Y CB 0.063 38.632 38.460 0.181 0.000 1.235 121 Y HN -0.043 nan 8.280 nan 0.000 0.492 122 P HA -0.015 nan 4.420 nan 0.000 0.268 122 P C -0.440 176.903 177.300 0.071 0.000 1.205 122 P CA -0.120 63.085 63.100 0.175 0.000 0.771 122 P CB 1.187 32.947 31.700 0.099 0.000 0.858 123 S N 3.491 119.203 115.700 0.021 0.000 2.545 123 S HA 0.360 4.830 4.470 -0.000 0.000 0.275 123 S C -2.221 172.377 174.600 -0.002 0.000 1.299 123 S CA -1.642 56.536 58.200 -0.036 0.000 1.048 123 S CB -0.143 62.915 63.200 -0.236 0.000 0.938 123 S HN 0.312 nan 8.310 nan 0.000 0.496 124 P HA 0.263 nan 4.420 nan 0.000 0.293 124 P C -0.689 176.587 177.300 -0.040 0.000 1.300 124 P CA -0.503 62.599 63.100 0.003 0.000 0.792 124 P CB 0.604 32.327 31.700 0.038 0.000 0.925 125 L N 3.078 124.269 121.223 -0.054 0.000 2.426 125 L HA 0.224 4.564 4.340 -0.000 0.000 0.271 125 L C 0.784 177.637 176.870 -0.027 0.000 1.169 125 L CA 0.598 55.393 54.840 -0.075 0.000 0.836 125 L CB 0.081 42.084 42.059 -0.092 0.000 1.112 125 L HN 0.376 nan 8.230 nan 0.000 0.465 126 D N 0.677 121.081 120.400 0.008 0.000 2.402 126 D HA 0.113 4.753 4.640 -0.000 0.000 0.252 126 D C 0.824 177.137 176.300 0.022 0.000 1.294 126 D CA -0.420 53.606 54.000 0.043 0.000 0.948 126 D CB 1.404 42.279 40.800 0.124 0.000 1.202 126 D HN 0.571 nan 8.370 nan 0.000 0.561 127 T N -0.513 114.032 114.554 -0.016 0.000 3.163 127 T HA -0.084 4.266 4.350 -0.000 0.000 0.260 127 T C 1.511 176.192 174.700 -0.032 0.000 1.156 127 T CA 0.959 63.041 62.100 -0.029 0.000 1.072 127 T CB -0.116 68.727 68.868 -0.042 0.000 0.937 127 T HN 0.223 nan 8.240 nan 0.000 0.528 128 S N -0.211 115.471 115.700 -0.031 0.000 2.501 128 S HA 0.126 4.595 4.470 -0.000 0.000 0.220 128 S C 0.869 175.423 174.600 -0.076 0.000 0.997 128 S CA -0.437 57.736 58.200 -0.045 0.000 0.919 128 S CB -0.217 62.962 63.200 -0.036 0.000 0.778 128 S HN 0.313 nan 8.310 nan 0.000 0.523 129 Q N 3.510 123.250 119.800 -0.099 0.000 2.296 129 Q HA 0.378 4.718 4.340 -0.000 0.000 0.262 129 Q C -2.391 173.502 176.000 -0.178 0.000 0.981 129 Q CA -2.257 53.415 55.803 -0.219 0.000 0.905 129 Q CB 0.452 28.912 28.738 -0.463 0.000 1.186 129 Q HN 0.348 nan 8.270 nan 0.000 0.399 130 P HA 0.031 nan 4.420 nan 0.000 0.266 130 P C -0.642 176.613 177.300 -0.074 0.000 1.193 130 P CA 0.045 63.076 63.100 -0.114 0.000 0.770 130 P CB 0.745 32.374 31.700 -0.120 0.000 0.836 131 V N 1.713 121.627 119.914 -0.001 0.000 2.808 131 V HA 0.521 4.640 4.120 -0.000 0.000 0.308 131 V C 0.827 176.972 176.094 0.084 0.000 1.099 131 V CA -0.529 61.835 62.300 0.106 0.000 0.920 131 V CB 2.031 33.943 31.823 0.147 0.000 1.014 131 V HN 0.854 nan 8.190 nan 0.000 0.425 132 G N 3.102 111.999 108.800 0.162 0.000 2.563 132 G HA2 0.470 4.430 3.960 -0.000 0.000 0.283 132 G HA3 0.470 4.430 3.960 -0.000 0.000 0.283 132 G C -0.261 174.607 174.900 -0.054 0.000 1.309 132 G CA -0.670 44.494 45.100 0.106 0.000 1.022 132 G HN 0.623 nan 8.290 nan 0.000 0.501 133 R N -0.255 120.185 120.500 -0.100 0.000 2.457 133 R HA 0.213 4.553 4.340 -0.000 0.000 0.284 133 R C -1.062 174.937 176.300 -0.501 0.000 1.024 133 R CA -0.616 55.333 56.100 -0.253 0.000 1.025 133 R CB 1.326 31.544 30.300 -0.138 0.000 1.063 133 R HN 0.492 nan 8.270 nan 0.000 0.493 134 D N 3.469 123.497 120.400 -0.620 0.000 2.396 134 D HA 0.128 4.768 4.640 -0.000 0.000 0.225 134 D C -1.502 174.563 176.300 -0.391 0.000 1.121 134 D CA -2.217 51.360 54.000 -0.705 0.000 0.853 134 D CB 1.394 41.907 40.800 -0.479 0.000 1.043 134 D HN 0.245 nan 8.370 nan 0.000 0.500 135 P HA 0.022 nan 4.420 nan 0.000 0.235 135 P C 1.427 178.543 177.300 -0.307 0.000 1.177 135 P CA 0.365 63.250 63.100 -0.358 0.000 0.785 135 P CB 0.182 31.567 31.700 -0.525 0.000 0.885 136 I N -4.542 115.786 120.570 -0.404 0.000 3.783 136 I HA 0.130 4.300 4.170 -0.000 0.000 0.310 136 I C 1.978 177.953 176.117 -0.236 0.000 1.274 136 I CA 0.087 61.198 61.300 -0.315 0.000 1.294 136 I CB -0.735 36.994 38.000 -0.452 0.000 1.051 136 I HN -0.206 nan 8.210 nan 0.000 0.435 137 N N 2.641 121.261 118.700 -0.132 0.000 2.069 137 N HA -0.222 4.517 4.740 -0.000 0.000 0.191 137 N C 1.975 177.485 175.510 -0.000 0.000 1.031 137 N CA 2.420 55.478 53.050 0.014 0.000 0.852 137 N CB 0.038 38.642 38.487 0.195 0.000 1.018 137 N HN 0.597 nan 8.380 nan 0.000 0.423 138 S N 0.151 115.844 115.700 -0.012 0.000 2.442 138 S HA -0.109 4.360 4.470 -0.000 0.000 0.236 138 S C 1.833 176.411 174.600 -0.036 0.000 1.007 138 S CA 0.745 58.939 58.200 -0.010 0.000 0.965 138 S CB -0.277 62.915 63.200 -0.013 0.000 0.773 138 S HN 0.400 nan 8.310 nan 0.000 0.504 139 Q N 0.816 120.579 119.800 -0.062 0.000 2.079 139 Q HA 0.096 4.436 4.340 -0.000 0.000 0.200 139 Q C 2.194 178.129 176.000 -0.110 0.000 0.974 139 Q CA 1.428 57.183 55.803 -0.080 0.000 0.840 139 Q CB -0.383 28.309 28.738 -0.077 0.000 0.898 139 Q HN 0.550 nan 8.270 nan 0.000 0.430 140 L N 0.043 121.201 121.223 -0.108 0.000 2.068 140 L HA -0.121 4.219 4.340 -0.000 0.000 0.204 140 L C 2.744 179.647 176.870 0.055 0.000 1.076 140 L CA 1.497 56.291 54.840 -0.076 0.000 0.753 140 L CB -0.804 41.129 42.059 -0.210 0.000 0.910 140 L HN 0.351 nan 8.230 nan 0.000 0.439 141 T N -4.076 110.509 114.554 0.051 0.000 2.788 141 T HA -0.211 4.138 4.350 -0.000 0.000 0.268 141 T C 2.059 176.777 174.700 0.031 0.000 1.044 141 T CA 1.544 63.692 62.100 0.080 0.000 1.139 141 T CB -0.454 68.455 68.868 0.069 0.000 0.867 141 T HN 0.208 nan 8.240 nan 0.000 0.454 142 S N 1.031 116.717 115.700 -0.024 0.000 2.406 142 S HA 0.202 4.672 4.470 -0.000 0.000 0.228 142 S C 2.306 176.827 174.600 -0.132 0.000 1.020 142 S CA 0.890 59.054 58.200 -0.060 0.000 0.965 142 S CB -0.721 62.442 63.200 -0.061 0.000 0.798 142 S HN 0.732 nan 8.310 nan 0.000 0.488 143 A N -0.657 122.017 122.820 -0.244 0.000 2.021 143 A HA 0.240 4.560 4.320 -0.000 0.000 0.216 143 A C 1.313 178.518 177.584 -0.632 0.000 1.163 143 A CA 0.659 52.398 52.037 -0.496 0.000 0.676 143 A CB -0.379 18.176 19.000 -0.742 0.000 0.818 143 A HN 0.663 nan 8.150 nan 0.000 0.453 144 Y N -1.266 119.020 120.300 -0.025 0.000 2.481 144 Y HA 0.389 4.939 4.550 -0.000 0.000 0.247 144 Y C 1.665 177.568 175.900 0.005 0.000 1.151 144 Y CA -0.438 57.660 58.100 -0.003 0.000 1.238 144 Y CB 0.011 38.504 38.460 0.056 0.000 1.179 144 Y HN 0.344 nan 8.280 nan 0.000 0.524 145 G N 1.319 110.174 108.800 0.092 0.000 2.283 145 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.280 145 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.280 145 G C 0.209 175.160 174.900 0.084 0.000 1.029 145 G CA 1.093 46.233 45.100 0.065 0.000 0.840 145 G HN 0.458 nan 8.290 nan 0.000 0.505 146 T N -2.451 112.174 114.554 0.119 0.000 2.853 146 T HA 0.629 4.979 4.350 -0.000 0.000 0.311 146 T C 0.811 175.575 174.700 0.107 0.000 1.307 146 T CA 0.682 62.840 62.100 0.097 0.000 1.019 146 T CB 1.613 70.532 68.868 0.085 0.000 1.264 146 T HN 0.269 nan 8.240 nan 0.000 0.497 147 S N 1.465 117.208 115.700 0.072 0.000 2.524 147 S HA 0.363 4.833 4.470 -0.000 0.000 0.215 147 S C 0.799 175.393 174.600 -0.010 0.000 0.986 147 S CA -0.222 58.010 58.200 0.053 0.000 0.911 147 S CB -0.220 63.018 63.200 0.063 0.000 0.805 147 S HN 0.604 nan 8.310 nan 0.000 0.501 148 M N 1.875 121.463 119.600 -0.019 0.000 2.240 148 M HA 0.279 4.759 4.480 -0.000 0.000 0.333 148 M C -0.455 175.677 176.300 -0.280 0.000 1.110 148 M CA 0.308 55.544 55.300 -0.107 0.000 1.173 148 M CB 0.404 32.971 32.600 -0.054 0.000 1.458 148 M HN 0.031 nan 8.290 nan 0.000 0.458 149 L N 1.582 122.464 121.223 -0.568 0.000 2.325 149 L HA 0.319 4.659 4.340 -0.000 0.000 0.279 149 L C -0.912 175.434 176.870 -0.874 0.000 1.054 149 L CA -0.617 53.666 54.840 -0.928 0.000 0.804 149 L CB 0.644 41.892 42.059 -1.352 0.000 1.200 149 L HN 0.611 nan 8.230 nan 0.000 0.436 150 Y N 1.999 121.390 120.300 -1.514 0.000 2.944 150 Y HA 0.593 5.143 4.550 -0.000 0.000 0.335 150 Y C 0.179 175.921 175.900 -0.263 0.000 1.075 150 Y CA -0.420 57.220 58.100 -0.766 0.000 1.240 150 Y CB 0.801 38.802 38.460 -0.765 0.000 1.167 150 Y HN 0.575 nan 8.280 nan 0.000 0.555 151 G N 3.282 111.967 108.800 -0.191 0.000 2.695 151 G HA2 0.451 4.411 3.960 -0.000 0.000 0.290 151 G HA3 0.451 4.411 3.960 -0.000 0.000 0.290 151 G C -1.472 173.459 174.900 0.053 0.000 1.410 151 G CA -1.202 43.939 45.100 0.068 0.000 0.844 151 G HN 0.307 nan 8.290 nan 0.000 0.478 152 M N 0.967 120.614 119.600 0.078 0.000 2.233 152 M HA 0.256 4.736 4.480 -0.000 0.000 0.355 152 M C -0.097 176.299 176.300 0.161 0.000 1.191 152 M CA -0.730 54.622 55.300 0.088 0.000 1.101 152 M CB 1.480 34.109 32.600 0.048 0.000 1.592 152 M HN 0.724 nan 8.290 nan 0.000 0.461 153 H N 3.466 122.590 119.070 0.089 0.000 2.683 153 H HA 0.006 4.562 4.556 -0.000 0.000 0.339 153 H C 0.568 176.008 175.328 0.187 0.000 1.081 153 H CA -0.091 56.019 56.048 0.102 0.000 1.432 153 H CB 0.664 30.441 29.762 0.024 0.000 1.462 153 H HN 0.735 nan 8.280 nan 0.000 0.557 154 W N 5.842 126.822 121.300 -0.534 0.000 2.402 154 W HA 0.028 4.688 4.660 -0.000 0.000 0.286 154 W C -0.597 175.794 176.519 -0.214 0.000 1.221 154 W CA 0.135 57.300 57.345 -0.300 0.000 1.257 154 W CB -0.119 29.228 29.460 -0.188 0.000 1.120 154 W HN 0.431 nan 8.180 nan 0.000 0.551 155 I N 1.348 121.178 120.570 -1.233 0.000 2.582 155 I HA 0.472 4.641 4.170 -0.000 0.000 0.292 155 I C -1.621 174.313 176.117 -0.306 0.000 1.066 155 I CA -1.200 59.534 61.300 -0.943 0.000 1.053 155 I CB 1.989 38.964 38.000 -1.708 0.000 1.241 155 I HN -0.139 nan 8.210 nan 0.000 0.421 156 L N 6.934 128.066 121.223 -0.152 0.000 2.410 156 L HA 0.494 4.834 4.340 -0.000 0.000 0.270 156 L C -1.080 175.786 176.870 -0.006 0.000 0.983 156 L CA -0.262 54.557 54.840 -0.035 0.000 0.822 156 L CB 1.697 43.714 42.059 -0.069 0.000 1.285 156 L HN 0.519 nan 8.230 nan 0.000 0.409 157 D N 3.611 124.042 120.400 0.052 0.000 2.483 157 D HA 0.132 4.772 4.640 -0.000 0.000 0.220 157 D C 1.062 177.404 176.300 0.070 0.000 1.173 157 D CA -0.009 54.073 54.000 0.137 0.000 0.964 157 D CB 0.819 41.764 40.800 0.243 0.000 1.046 157 D HN 0.384 nan 8.370 nan 0.000 0.517 158 V N 2.957 122.908 119.914 0.061 0.000 2.324 158 V HA -0.191 3.929 4.120 -0.000 0.000 0.250 158 V C 1.272 177.389 176.094 0.038 0.000 1.060 158 V CA 1.668 63.976 62.300 0.013 0.000 1.042 158 V CB -0.188 31.680 31.823 0.075 0.000 0.650 158 V HN 0.542 nan 8.190 nan 0.000 0.450 159 D N -0.758 119.717 120.400 0.125 0.000 2.462 159 D HA 0.137 4.777 4.640 -0.000 0.000 0.221 159 D C 0.482 176.838 176.300 0.092 0.000 1.173 159 D CA -0.049 54.019 54.000 0.113 0.000 0.831 159 D CB -0.167 40.735 40.800 0.169 0.000 1.001 159 D HN 0.446 nan 8.370 nan 0.000 0.499 160 N N 0.229 118.980 118.700 0.085 0.000 2.727 160 N HA -0.238 4.502 4.740 -0.000 0.000 0.251 160 N C 0.381 175.906 175.510 0.024 0.000 1.040 160 N CA 0.198 53.280 53.050 0.053 0.000 0.712 160 N CB -1.394 37.099 38.487 0.011 0.000 0.912 160 N HN 0.391 nan 8.380 nan 0.000 0.545 161 W N 0.213 121.397 121.300 -0.193 0.000 2.418 161 W HA 0.069 4.729 4.660 -0.000 0.000 0.292 161 W C 1.347 177.541 176.519 -0.542 0.000 1.213 161 W CA 1.270 58.364 57.345 -0.419 0.000 1.283 161 W CB -0.449 28.604 29.460 -0.678 0.000 1.119 161 W HN 0.449 nan 8.180 nan 0.000 0.542 162 Y N 0.052 120.174 120.300 -0.295 0.000 2.457 162 Y HA 0.144 4.694 4.550 -0.000 0.000 0.292 162 Y C 2.417 177.835 175.900 -0.803 0.000 1.125 162 Y CA 1.642 59.385 58.100 -0.596 0.000 1.254 162 Y CB -0.442 37.792 38.460 -0.378 0.000 1.012 162 Y HN 0.133 nan 8.280 nan 0.000 0.555 163 G N -1.576 106.962 108.800 -0.437 0.000 2.195 163 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.246 163 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.246 163 G C 0.922 175.488 174.900 -0.557 0.000 0.984 163 G CA 0.335 45.145 45.100 -0.483 0.000 0.633 163 G HN 0.308 nan 8.290 nan 0.000 0.525 164 F N 1.546 121.286 119.950 -0.351 0.000 2.216 164 F HA 0.314 4.841 4.527 -0.000 0.000 0.300 164 F C 2.343 178.095 175.800 -0.079 0.000 1.085 164 F CA 2.043 59.794 58.000 -0.415 0.000 1.326 164 F CB -0.723 38.158 39.000 -0.199 0.000 1.027 164 F HN 1.092 nan 8.300 nan 0.000 0.497 165 G N -0.161 108.711 108.800 0.121 0.000 2.645 165 G HA2 0.000 3.960 3.960 -0.000 0.000 0.246 165 G HA3 0.000 3.960 3.960 -0.000 0.000 0.246 165 G C -0.308 174.677 174.900 0.142 0.000 1.322 165 G CA -0.596 44.575 45.100 0.119 0.000 0.898 165 G HN 0.757 nan 8.290 nan 0.000 0.573 166 A N -0.280 122.594 122.820 0.089 0.000 2.274 166 A HA 0.758 5.078 4.320 -0.000 0.000 0.309 166 A C 1.148 178.712 177.584 -0.033 0.000 1.226 166 A CA 0.744 52.804 52.037 0.038 0.000 0.853 166 A CB 0.221 19.217 19.000 -0.006 0.000 1.146 166 A HN 1.658 nan 8.150 nan 0.000 0.518 167 R N 1.354 121.779 120.500 -0.124 0.000 3.301 167 R HA -0.245 4.094 4.340 -0.000 0.000 0.249 167 R C 0.890 177.148 176.300 -0.070 0.000 0.964 167 R CA 0.783 56.555 56.100 -0.546 0.000 0.653 167 R CB -2.185 27.409 30.300 -1.177 0.000 1.043 167 R HN 2.287 nan 8.270 nan 0.000 0.454 168 A N -0.449 122.541 122.820 0.284 0.000 3.172 168 A HA -0.273 4.047 4.320 -0.000 0.000 0.263 168 A C 1.239 179.025 177.584 0.336 0.000 1.215 168 A CA 1.732 54.031 52.037 0.436 0.000 1.065 168 A CB -1.369 17.866 19.000 0.392 0.000 1.148 168 A HN 0.774 nan 8.150 nan 0.000 0.904 169 D N -1.245 119.291 120.400 0.226 0.000 2.347 169 D HA 0.320 4.959 4.640 -0.000 0.000 0.213 169 D C 1.752 178.195 176.300 0.238 0.000 0.985 169 D CA 1.423 55.528 54.000 0.174 0.000 0.879 169 D CB -0.866 39.984 40.800 0.083 0.000 0.919 169 D HN 1.849 nan 8.370 nan 0.000 0.526 170 G N 0.016 109.016 108.800 0.332 0.000 2.322 170 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.264 170 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.264 170 G C 1.275 176.230 174.900 0.092 0.000 0.992 170 G CA 1.543 46.798 45.100 0.259 0.000 0.624 170 G HN 0.711 nan 8.290 nan 0.000 0.543 171 T N -2.667 111.937 114.554 0.084 0.000 2.985 171 T HA 0.562 4.912 4.350 -0.000 0.000 0.254 171 T C 1.109 175.826 174.700 0.027 0.000 1.021 171 T CA 1.042 63.165 62.100 0.039 0.000 0.957 171 T CB 0.565 69.455 68.868 0.037 0.000 1.047 171 T HN 0.408 nan 8.240 nan 0.000 0.511 172 S N 2.208 117.929 115.700 0.036 0.000 2.601 172 S HA 0.529 4.999 4.470 -0.000 0.000 0.271 172 S C -0.232 174.376 174.600 0.012 0.000 1.305 172 S CA -0.830 57.383 58.200 0.022 0.000 1.022 172 S CB 0.773 63.985 63.200 0.021 0.000 0.940 172 S HN 0.709 nan 8.310 nan 0.000 0.525 173 K N 1.039 121.436 120.400 -0.005 0.000 2.464 173 K HA 0.598 4.918 4.320 -0.000 0.000 0.253 173 K C -3.284 173.268 176.600 -0.081 0.000 0.933 173 K CA -2.040 54.225 56.287 -0.036 0.000 0.801 173 K CB 1.563 34.046 32.500 -0.027 0.000 1.271 173 K HN 0.264 nan 8.250 nan 0.000 0.430 174 P HA 0.047 nan 4.420 nan 0.000 0.276 174 P C -0.830 176.394 177.300 -0.127 0.000 1.252 174 P CA -0.464 62.531 63.100 -0.174 0.000 0.802 174 P CB 1.448 32.959 31.700 -0.316 0.000 1.035 175 S N 0.777 116.434 115.700 -0.072 0.000 2.478 175 S HA 0.395 4.865 4.470 -0.000 0.000 0.312 175 S C -1.025 173.587 174.600 0.021 0.000 1.094 175 S CA -0.540 57.666 58.200 0.010 0.000 1.081 175 S CB -0.166 63.100 63.200 0.111 0.000 1.007 175 S HN 0.198 nan 8.310 nan 0.000 0.475 176 Y N 5.252 125.601 120.300 0.082 0.000 2.480 176 Y HA 0.410 4.959 4.550 -0.000 0.000 0.341 176 Y C 0.563 176.467 175.900 0.007 0.000 1.031 176 Y CA -0.293 57.844 58.100 0.061 0.000 1.295 176 Y CB 0.108 38.614 38.460 0.077 0.000 1.162 176 Y HN 0.636 nan 8.280 nan 0.000 0.523 177 I N 0.376 121.055 120.570 0.182 0.000 3.174 177 I HA 0.721 4.891 4.170 -0.000 0.000 0.313 177 I C -1.125 175.018 176.117 0.044 0.000 1.155 177 I CA -1.041 60.261 61.300 0.002 0.000 0.977 177 I CB 2.658 40.640 38.000 -0.030 0.000 1.248 177 I HN 0.330 nan 8.210 nan 0.000 0.453 178 N N -0.123 118.517 118.700 -0.099 0.000 2.416 178 N HA 0.571 5.311 4.740 -0.000 0.000 0.276 178 N C -0.492 174.932 175.510 -0.145 0.000 1.261 178 N CA 0.170 53.203 53.050 -0.028 0.000 0.790 178 N CB 2.522 41.051 38.487 0.072 0.000 1.554 178 N HN 0.969 nan 8.380 nan 0.000 0.481 179 T N -1.756 112.761 114.554 -0.062 0.000 3.518 179 T HA 0.371 4.720 4.350 -0.000 0.000 0.211 179 T C 0.555 175.127 174.700 -0.214 0.000 0.940 179 T CA -0.004 61.957 62.100 -0.232 0.000 1.307 179 T CB -0.671 67.943 68.868 -0.423 0.000 1.392 179 T HN 0.222 nan 8.240 nan 0.000 0.382 180 F N 3.159 123.171 119.950 0.103 0.000 2.623 180 F HA 0.288 4.814 4.527 -0.000 0.000 0.386 180 F C 1.726 177.454 175.800 -0.120 0.000 1.068 180 F CA 0.218 58.232 58.000 0.023 0.000 1.265 180 F CB 0.225 39.307 39.000 0.137 0.000 1.026 180 F HN 0.319 nan 8.300 nan 0.000 0.568 181 Q N 1.719 121.489 119.800 -0.050 0.000 2.010 181 Q HA 0.099 4.439 4.340 -0.000 0.000 0.215 181 Q C 0.521 176.391 176.000 -0.216 0.000 0.697 181 Q CA 0.103 55.739 55.803 -0.278 0.000 0.855 181 Q CB 0.476 28.623 28.738 -0.985 0.000 1.235 181 Q HN 0.639 nan 8.270 nan 0.000 0.442 182 R N 1.281 121.609 120.500 -0.287 0.000 3.311 182 R HA 0.485 4.825 4.340 -0.000 0.000 0.332 182 R C 0.324 176.345 176.300 -0.464 0.000 1.317 182 R CA 0.436 56.018 56.100 -0.862 0.000 1.192 182 R CB 0.669 30.442 30.300 -0.879 0.000 1.454 182 R HN 0.235 nan 8.270 nan 0.000 0.605 183 G N 1.667 110.427 108.800 -0.067 0.000 2.757 183 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.638 183 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.638 183 G C 0.633 175.584 174.900 0.084 0.000 1.344 183 G CA -0.086 45.060 45.100 0.076 0.000 0.855 183 G HN 0.537 nan 8.290 nan 0.000 0.537 184 E N -0.967 119.249 120.200 0.027 0.000 2.265 184 E HA -0.135 4.215 4.350 -0.000 0.000 0.196 184 E C 1.625 178.271 176.600 0.076 0.000 0.996 184 E CA 1.522 57.937 56.400 0.025 0.000 0.832 184 E CB 0.002 29.633 29.700 -0.114 0.000 0.756 184 E HN 0.352 nan 8.360 nan 0.000 0.491 185 Q N 0.765 120.602 119.800 0.063 0.000 2.320 185 Q HA 0.116 4.455 4.340 -0.000 0.000 0.201 185 Q C -0.329 175.711 176.000 0.068 0.000 0.910 185 Q CA 0.263 56.101 55.803 0.059 0.000 0.946 185 Q CB 0.630 29.401 28.738 0.055 0.000 1.062 185 Q HN 0.436 nan 8.270 nan 0.000 0.503 186 E N 1.464 121.708 120.200 0.072 0.000 2.014 186 E HA 0.188 4.538 4.350 -0.000 0.000 0.275 186 E C -0.412 176.259 176.600 0.118 0.000 0.997 186 E CA -0.197 56.266 56.400 0.105 0.000 0.804 186 E CB 0.606 30.370 29.700 0.107 0.000 1.090 186 E HN 0.101 nan 8.360 nan 0.000 0.401 187 S N 2.422 118.210 115.700 0.146 0.000 2.661 187 S HA 0.095 4.565 4.470 -0.000 0.000 0.265 187 S C 1.335 176.107 174.600 0.288 0.000 1.225 187 S CA -0.061 58.243 58.200 0.174 0.000 0.986 187 S CB 1.104 64.446 63.200 0.236 0.000 1.008 187 S HN 0.518 nan 8.310 nan 0.000 0.565 188 T N -0.743 113.916 114.554 0.176 0.000 2.803 188 T HA -0.138 4.212 4.350 -0.000 0.000 0.269 188 T C 1.066 175.663 174.700 -0.171 0.000 1.052 188 T CA 1.585 63.619 62.100 -0.111 0.000 1.136 188 T CB -0.635 68.009 68.868 -0.373 0.000 0.864 188 T HN 0.764 nan 8.240 nan 0.000 0.467 189 W N 1.863 123.203 121.300 0.067 0.000 2.678 189 W HA 0.212 4.872 4.660 -0.000 0.000 0.256 189 W C 1.843 178.496 176.519 0.222 0.000 1.280 189 W CA -0.033 57.373 57.345 0.101 0.000 1.345 189 W CB -0.107 29.289 29.460 -0.107 0.000 1.118 189 W HN 0.315 nan 8.180 nan 0.000 0.629 190 E N -0.269 120.131 120.200 0.333 0.000 2.501 190 E HA 0.035 4.385 4.350 -0.000 0.000 0.200 190 E C 0.917 177.627 176.600 0.184 0.000 1.016 190 E CA 0.045 56.599 56.400 0.257 0.000 0.921 190 E CB 0.165 29.994 29.700 0.214 0.000 1.034 190 E HN 0.017 nan 8.360 nan 0.000 0.468 191 T N -1.668 112.961 114.554 0.125 0.000 2.862 191 T HA 0.544 4.894 4.350 -0.000 0.000 0.276 191 T C 0.230 174.971 174.700 0.067 0.000 0.974 191 T CA -0.659 61.472 62.100 0.051 0.000 0.966 191 T CB 1.196 69.981 68.868 -0.137 0.000 1.072 191 T HN -0.035 nan 8.240 nan 0.000 0.538 192 I N 1.802 122.424 120.570 0.086 0.000 2.521 192 I HA 0.311 4.481 4.170 -0.000 0.000 0.277 192 I C -2.625 173.495 176.117 0.005 0.000 1.054 192 I CA -2.535 58.828 61.300 0.104 0.000 1.117 192 I CB 2.037 40.158 38.000 0.203 0.000 1.217 192 I HN 0.436 nan 8.210 nan 0.000 0.469 193 P HA -0.034 nan 4.420 nan 0.000 0.264 193 P C -0.986 175.999 177.300 -0.524 0.000 1.183 193 P CA 0.235 63.095 63.100 -0.400 0.000 0.763 193 P CB 0.399 31.625 31.700 -0.789 0.000 0.807 194 Q N 4.534 123.931 119.800 -0.671 0.000 2.456 194 Q HA 0.532 4.872 4.340 -0.000 0.000 0.283 194 Q C -3.165 172.216 176.000 -1.033 0.000 1.084 194 Q CA -2.597 52.486 55.803 -1.201 0.000 0.801 194 Q CB 1.953 30.205 28.738 -0.810 0.000 1.434 194 Q HN 0.160 nan 8.270 nan 0.000 0.419 195 P HA 0.190 nan 4.420 nan 0.000 0.278 195 P C 0.254 177.380 177.300 -0.290 0.000 1.238 195 P CA -0.226 62.451 63.100 -0.705 0.000 0.794 195 P CB 1.208 32.536 31.700 -0.621 0.000 0.955 196 C N 1.237 120.448 119.300 -0.148 0.000 2.457 196 C HA -0.015 4.445 4.460 -0.000 0.000 0.278 196 C C 1.237 176.168 174.990 -0.098 0.000 1.309 196 C CA 0.055 58.936 59.018 -0.228 0.000 1.735 196 C CB -0.928 26.625 27.740 -0.312 0.000 1.992 196 C HN 0.590 nan 8.230 nan 0.000 0.493 197 W N 2.799 124.049 121.300 -0.084 0.000 2.317 197 W HA 0.315 4.975 4.660 -0.000 0.000 0.327 197 W C -0.949 175.621 176.519 0.085 0.000 1.036 197 W CA 0.075 57.439 57.345 0.031 0.000 1.419 197 W CB 0.154 29.666 29.460 0.086 0.000 1.253 197 W HN 0.207 nan 8.180 nan 0.000 0.392 198 D N 4.389 124.801 120.400 0.019 0.000 2.473 198 D HA 0.101 4.740 4.640 -0.000 0.000 0.226 198 D C 0.291 176.683 176.300 0.153 0.000 1.089 198 D CA 0.103 54.206 54.000 0.172 0.000 0.883 198 D CB 0.770 41.700 40.800 0.217 0.000 1.029 198 D HN 0.477 nan 8.370 nan 0.000 0.517 199 E N 1.807 122.139 120.200 0.221 0.000 2.444 199 E HA -0.000 4.349 4.350 -0.000 0.000 0.191 199 E C -0.177 176.518 176.600 0.159 0.000 1.041 199 E CA -0.279 56.178 56.400 0.095 0.000 0.883 199 E CB 0.215 30.022 29.700 0.178 0.000 1.024 199 E HN 0.466 nan 8.360 nan 0.000 0.470 200 H N -1.132 118.025 119.070 0.146 0.000 3.237 200 H HA -0.141 4.415 4.556 -0.000 0.000 0.231 200 H C 0.977 176.318 175.328 0.021 0.000 1.148 200 H CA 0.828 56.945 56.048 0.116 0.000 1.155 200 H CB -1.385 28.441 29.762 0.107 0.000 1.210 200 H HN 0.132 nan 8.280 nan 0.000 0.317 201 K N -0.261 120.181 120.400 0.070 0.000 2.366 201 K HA 0.141 4.461 4.320 -0.000 0.000 0.198 201 K C 0.113 176.436 176.600 -0.462 0.000 1.044 201 K CA 0.724 56.845 56.287 -0.277 0.000 0.973 201 K CB 0.426 32.619 32.500 -0.512 0.000 0.767 201 K HN 0.128 nan 8.250 nan 0.000 0.475 202 F N -0.424 119.695 119.950 0.282 0.000 2.588 202 F HA 0.475 5.002 4.527 -0.000 0.000 0.314 202 F C 1.140 177.057 175.800 0.194 0.000 1.069 202 F CA -0.286 57.911 58.000 0.329 0.000 0.931 202 F CB 1.773 41.159 39.000 0.643 0.000 1.260 202 F HN 0.193 nan 8.300 nan 0.000 0.465 203 G N 0.772 109.687 108.800 0.192 0.000 2.554 203 G HA2 0.112 4.072 3.960 -0.000 0.000 0.253 203 G HA3 0.112 4.072 3.960 -0.000 0.000 0.253 203 G C 0.260 174.935 174.900 -0.375 0.000 1.172 203 G CA -0.307 44.555 45.100 -0.397 0.000 0.950 203 G HN 1.283 nan 8.290 nan 0.000 0.557 204 G N -1.555 106.930 108.800 -0.524 0.000 2.531 204 G HA2 0.497 4.457 3.960 -0.000 0.000 0.281 204 G HA3 0.497 4.457 3.960 -0.000 0.000 0.281 204 G C 0.846 175.431 174.900 -0.526 0.000 1.382 204 G CA 0.973 45.592 45.100 -0.802 0.000 1.045 204 G HN 0.892 nan 8.290 nan 0.000 0.533 205 Q N -1.698 117.715 119.800 -0.646 0.000 2.364 205 Q HA -0.077 4.263 4.340 -0.000 0.000 0.209 205 Q C 0.054 175.583 176.000 -0.786 0.000 0.977 205 Q CA 1.194 56.584 55.803 -0.689 0.000 0.885 205 Q CB -0.045 28.168 28.738 -0.876 0.000 0.941 205 Q HN 0.530 nan 8.270 nan 0.000 0.464 206 Y N -1.054 119.051 120.300 -0.324 0.000 2.666 206 Y HA 0.343 4.892 4.550 -0.000 0.000 0.264 206 Y C 0.838 176.416 175.900 -0.538 0.000 1.054 206 Y CA -0.044 57.679 58.100 -0.629 0.000 1.121 206 Y CB 0.660 38.893 38.460 -0.378 0.000 1.190 206 Y HN 0.202 nan 8.280 nan 0.000 0.587 207 G N 0.799 109.504 108.800 -0.158 0.000 2.556 207 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.283 207 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.283 207 G C 0.388 175.334 174.900 0.077 0.000 1.177 207 G CA 0.812 45.968 45.100 0.094 0.000 0.978 207 G HN 0.227 nan 8.290 nan 0.000 0.554 208 F N 1.054 121.150 119.950 0.244 0.000 2.682 208 F HA 0.427 4.954 4.527 -0.000 0.000 0.308 208 F C 2.444 178.318 175.800 0.123 0.000 1.093 208 F CA 0.304 58.438 58.000 0.223 0.000 1.244 208 F CB -0.049 39.078 39.000 0.211 0.000 1.052 208 F HN 0.240 nan 8.300 nan 0.000 0.573 209 L N 0.648 122.071 121.223 0.333 0.000 2.013 209 L HA -0.265 4.075 4.340 -0.000 0.000 0.212 209 L C 2.031 178.995 176.870 0.157 0.000 1.073 209 L CA 1.842 56.840 54.840 0.263 0.000 0.753 209 L CB -0.697 41.482 42.059 0.200 0.000 0.890 209 L HN 0.188 nan 8.230 nan 0.000 0.432 210 D N -0.238 120.253 120.400 0.151 0.000 2.352 210 D HA -0.103 4.537 4.640 -0.000 0.000 0.232 210 D C 1.926 178.190 176.300 -0.059 0.000 1.055 210 D CA 0.552 54.622 54.000 0.116 0.000 0.891 210 D CB -0.213 40.729 40.800 0.236 0.000 0.897 210 D HN 0.382 nan 8.370 nan 0.000 0.529 211 L N -1.196 119.795 121.223 -0.388 0.000 2.270 211 L HA 0.037 4.377 4.340 -0.000 0.000 0.210 211 L C 1.490 177.977 176.870 -0.637 0.000 1.104 211 L CA 0.630 54.962 54.840 -0.847 0.000 0.804 211 L CB -0.106 41.056 42.059 -1.495 0.000 0.937 211 L HN -0.055 nan 8.230 nan 0.000 0.450 212 F N -1.232 118.776 119.950 0.096 0.000 2.480 212 F HA 0.108 4.635 4.527 -0.000 0.000 0.280 212 F C 1.198 177.107 175.800 0.182 0.000 1.002 212 F CA -0.161 57.951 58.000 0.187 0.000 1.325 212 F CB -0.496 38.579 39.000 0.125 0.000 1.134 212 F HN -0.152 nan 8.300 nan 0.000 0.646 213 T N -0.833 113.872 114.554 0.252 0.000 2.841 213 T HA 0.475 4.825 4.350 -0.000 0.000 0.283 213 T C -0.836 173.902 174.700 0.063 0.000 1.000 213 T CA -0.918 61.253 62.100 0.119 0.000 0.977 213 T CB 2.583 71.480 68.868 0.048 0.000 0.979 213 T HN 0.058 nan 8.240 nan 0.000 0.446 214 K N 2.051 122.471 120.400 0.033 0.000 2.213 214 K HA 0.476 4.796 4.320 -0.000 0.000 0.270 214 K C -1.058 175.531 176.600 -0.018 0.000 1.002 214 K CA -0.537 55.759 56.287 0.016 0.000 0.868 214 K CB 1.026 33.544 32.500 0.029 0.000 1.093 214 K HN 0.658 nan 8.250 nan 0.000 0.454 215 D N 0.957 121.333 120.400 -0.039 0.000 2.506 215 D HA 0.146 4.786 4.640 -0.000 0.000 0.254 215 D C 0.937 177.202 176.300 -0.058 0.000 1.089 215 D CA -0.360 53.600 54.000 -0.065 0.000 1.050 215 D CB 1.839 42.579 40.800 -0.100 0.000 1.221 215 D HN 0.644 nan 8.370 nan 0.000 0.589 216 T N -2.365 112.149 114.554 -0.067 0.000 2.951 216 T HA 0.213 4.563 4.350 -0.000 0.000 0.268 216 T C 1.068 175.734 174.700 -0.057 0.000 1.073 216 T CA 1.011 63.079 62.100 -0.054 0.000 1.134 216 T CB -0.084 68.751 68.868 -0.055 0.000 0.884 216 T HN 0.311 nan 8.240 nan 0.000 0.479 217 G N 0.303 109.054 108.800 -0.081 0.000 3.264 217 G HA2 0.519 4.479 3.960 -0.000 0.000 0.168 217 G HA3 0.519 4.479 3.960 -0.000 0.000 0.168 217 G C -0.989 173.830 174.900 -0.135 0.000 1.145 217 G CA -0.564 44.485 45.100 -0.085 0.000 0.855 217 G HN 0.216 nan 8.290 nan 0.000 0.629 218 T N 2.819 117.279 114.554 -0.157 0.000 2.794 218 T HA 0.473 4.822 4.350 -0.000 0.000 0.296 218 T C -2.194 172.328 174.700 -0.297 0.000 0.949 218 T CA -0.337 61.582 62.100 -0.302 0.000 1.101 218 T CB 1.187 69.943 68.868 -0.186 0.000 0.905 218 T HN 0.148 nan 8.240 nan 0.000 0.516 219 P HA 0.313 nan 4.420 nan 0.000 0.266 219 P C -0.845 176.470 177.300 0.026 0.000 1.195 219 P CA -0.264 62.722 63.100 -0.189 0.000 0.768 219 P CB 0.396 31.962 31.700 -0.224 0.000 0.838 220 A N 2.865 125.757 122.820 0.120 0.000 2.295 220 A HA 0.368 4.688 4.320 -0.000 0.000 0.318 220 A C -0.095 177.627 177.584 0.230 0.000 1.134 220 A CA -0.717 51.431 52.037 0.186 0.000 0.827 220 A CB 0.436 19.575 19.000 0.232 0.000 1.136 220 A HN 0.464 nan 8.150 nan 0.000 0.493 221 K N 1.098 121.506 120.400 0.014 0.000 2.451 221 K HA 0.265 4.585 4.320 -0.000 0.000 0.280 221 K C 0.017 176.584 176.600 -0.055 0.000 1.020 221 K CA 0.486 56.693 56.287 -0.134 0.000 1.008 221 K CB 0.226 32.556 32.500 -0.285 0.000 0.917 221 K HN 0.822 nan 8.250 nan 0.000 0.478 222 Q N 1.906 121.644 119.800 -0.104 0.000 2.630 222 Q HA 0.477 4.817 4.340 -0.000 0.000 0.295 222 Q C -1.205 174.600 176.000 -0.324 0.000 0.944 222 Q CA -1.096 54.554 55.803 -0.255 0.000 0.766 222 Q CB 1.018 29.708 28.738 -0.079 0.000 1.471 222 Q HN 0.470 nan 8.270 nan 0.000 0.416 223 F N -0.929 118.734 119.950 -0.479 0.000 2.561 223 F HA 0.884 5.411 4.527 -0.000 0.000 0.321 223 F C -1.165 174.302 175.800 -0.555 0.000 1.065 223 F CA -0.840 56.830 58.000 -0.551 0.000 0.934 223 F CB 1.921 40.579 39.000 -0.569 0.000 1.215 223 F HN 0.597 nan 8.300 nan 0.000 0.471 224 K N 1.669 121.664 120.400 -0.675 0.000 2.557 224 K HA 0.456 4.776 4.320 -0.000 0.000 0.261 224 K C -2.502 173.446 176.600 -1.087 0.000 0.932 224 K CA -0.695 55.183 56.287 -0.682 0.000 0.829 224 K CB 1.936 34.367 32.500 -0.115 0.000 1.358 224 K HN 0.871 nan 8.250 nan 0.000 0.430 225 Y N -0.074 119.809 120.300 -0.695 0.000 2.512 225 Y HA 0.506 5.055 4.550 -0.000 0.000 0.348 225 Y C -0.259 175.396 175.900 -0.409 0.000 0.990 225 Y CA -0.698 56.959 58.100 -0.738 0.000 1.033 225 Y CB 2.931 40.585 38.460 -1.344 0.000 1.259 225 Y HN 0.569 nan 8.280 nan 0.000 0.461 226 T N 2.629 117.339 114.554 0.259 0.000 2.848 226 T HA 0.256 4.605 4.350 -0.000 0.000 0.285 226 T C -0.835 173.978 174.700 0.189 0.000 0.995 226 T CA -1.016 61.195 62.100 0.184 0.000 0.970 226 T CB 1.107 70.094 68.868 0.198 0.000 0.976 226 T HN 0.571 nan 8.240 nan 0.000 0.441 227 N N 1.544 120.253 118.700 0.015 0.000 2.492 227 N HA 0.537 5.277 4.740 -0.000 0.000 0.289 227 N C -1.021 174.482 175.510 -0.012 0.000 1.133 227 N CA -0.541 52.457 53.050 -0.088 0.000 0.961 227 N CB 1.529 39.618 38.487 -0.664 0.000 1.186 227 N HN 0.715 nan 8.380 nan 0.000 0.493 228 A N 4.116 126.943 122.820 0.012 0.000 2.508 228 A HA 0.433 4.753 4.320 -0.000 0.000 0.336 228 A C -1.767 175.793 177.584 -0.040 0.000 1.360 228 A CA -1.482 50.526 52.037 -0.048 0.000 0.841 228 A CB 0.962 19.935 19.000 -0.044 0.000 1.136 228 A HN 0.544 nan 8.150 nan 0.000 0.489 229 P HA -0.262 nan 4.420 nan 0.000 0.218 229 P C 1.169 178.469 177.300 0.001 0.000 1.154 229 P CA 1.918 65.105 63.100 0.145 0.000 0.872 229 P CB 0.183 32.058 31.700 0.290 0.000 0.790 230 D N -0.452 119.769 120.400 -0.298 0.000 2.178 230 D HA -0.152 4.487 4.640 -0.000 0.000 0.201 230 D C 1.693 177.818 176.300 -0.292 0.000 0.980 230 D CA 1.720 55.475 54.000 -0.407 0.000 0.842 230 D CB -0.911 39.321 40.800 -0.946 0.000 0.948 230 D HN 0.168 nan 8.370 nan 0.000 0.472 231 A N 0.810 123.485 122.820 -0.242 0.000 1.930 231 A HA -0.103 4.217 4.320 -0.000 0.000 0.215 231 A C 1.838 179.368 177.584 -0.089 0.000 1.176 231 A CA 1.459 53.396 52.037 -0.167 0.000 0.632 231 A CB -0.349 18.596 19.000 -0.092 0.000 0.819 231 A HN 0.055 nan 8.150 nan 0.000 0.445 232 D N 0.230 120.625 120.400 -0.007 0.000 2.144 232 D HA 0.004 4.644 4.640 -0.000 0.000 0.200 232 D C 2.173 178.515 176.300 0.070 0.000 0.978 232 D CA 1.459 55.504 54.000 0.075 0.000 0.833 232 D CB -0.248 40.658 40.800 0.177 0.000 0.961 232 D HN 0.407 nan 8.370 nan 0.000 0.470 233 A N 0.514 123.363 122.820 0.049 0.000 1.898 233 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 233 A C 2.135 179.676 177.584 -0.072 0.000 1.181 233 A CA 1.407 53.456 52.037 0.020 0.000 0.620 233 A CB -0.487 18.558 19.000 0.076 0.000 0.819 233 A HN 0.115 nan 8.150 nan 0.000 0.442 234 R N -0.375 120.034 120.500 -0.152 0.000 2.152 234 R HA -0.068 4.272 4.340 -0.000 0.000 0.232 234 R C 2.159 178.322 176.300 -0.227 0.000 1.117 234 R CA 1.237 57.165 56.100 -0.287 0.000 0.981 234 R CB -0.322 29.723 30.300 -0.425 0.000 0.870 234 R HN 0.453 nan 8.270 nan 0.000 0.451 235 A N 0.139 122.898 122.820 -0.101 0.000 1.930 235 A HA -0.065 4.254 4.320 -0.000 0.000 0.217 235 A C 2.177 179.868 177.584 0.178 0.000 1.175 235 A CA 1.284 53.319 52.037 -0.003 0.000 0.627 235 A CB -0.334 18.654 19.000 -0.021 0.000 0.815 235 A HN 0.203 nan 8.150 nan 0.000 0.443 236 V N 0.076 120.069 119.914 0.131 0.000 2.358 236 V HA -0.297 3.823 4.120 -0.000 0.000 0.246 236 V C 2.706 178.813 176.094 0.021 0.000 1.047 236 V CA 2.203 64.575 62.300 0.120 0.000 1.035 236 V CB -0.817 30.983 31.823 -0.039 0.000 0.658 236 V HN 0.761 nan 8.190 nan 0.000 0.452 237 Q N 0.080 119.857 119.800 -0.038 0.000 2.096 237 Q HA -0.241 4.099 4.340 -0.000 0.000 0.204 237 Q C 2.210 178.245 176.000 0.059 0.000 0.982 237 Q CA 2.202 58.013 55.803 0.013 0.000 0.850 237 Q CB -0.246 28.438 28.738 -0.090 0.000 0.901 237 Q HN 0.631 nan 8.270 nan 0.000 0.422 238 A N -0.323 122.469 122.820 -0.047 0.000 1.968 238 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 238 A C 2.118 179.890 177.584 0.313 0.000 1.169 238 A CA 1.590 53.665 52.037 0.063 0.000 0.638 238 A CB -0.570 18.445 19.000 0.025 0.000 0.812 238 A HN 0.460 nan 8.150 nan 0.000 0.446 239 T N -1.528 113.286 114.554 0.433 0.000 2.951 239 T HA -0.113 4.237 4.350 -0.000 0.000 0.268 239 T C 1.703 176.599 174.700 0.326 0.000 1.073 239 T CA 1.441 63.905 62.100 0.607 0.000 1.134 239 T CB -0.370 68.982 68.868 0.806 0.000 0.884 239 T HN 0.615 nan 8.240 nan 0.000 0.479 240 Y N 0.255 120.549 120.300 -0.010 0.000 2.200 240 Y HA -0.134 4.416 4.550 -0.000 0.000 0.290 240 Y C 1.840 177.518 175.900 -0.370 0.000 1.137 240 Y CA 0.963 58.867 58.100 -0.326 0.000 1.163 240 Y CB -0.439 37.566 38.460 -0.758 0.000 0.988 240 Y HN 0.246 nan 8.280 nan 0.000 0.518 241 W N -0.021 121.052 121.300 -0.378 0.000 2.402 241 W HA -0.048 4.612 4.660 -0.000 0.000 0.286 241 W C 2.666 178.530 176.519 -1.091 0.000 1.221 241 W CA 1.340 58.108 57.345 -0.962 0.000 1.257 241 W CB -0.556 28.287 29.460 -1.028 0.000 1.120 241 W HN 0.142 nan 8.180 nan 0.000 0.551 242 A N 0.226 122.823 122.820 -0.371 0.000 1.902 242 A HA -0.278 4.042 4.320 -0.000 0.000 0.217 242 A C 1.586 178.992 177.584 -0.297 0.000 1.181 242 A CA 2.237 54.114 52.037 -0.267 0.000 0.623 242 A CB -1.041 17.441 19.000 -0.862 0.000 0.818 242 A HN 0.336 nan 8.150 nan 0.000 0.443 243 D N -1.225 118.988 120.400 -0.313 0.000 2.117 243 D HA -0.172 4.468 4.640 -0.000 0.000 0.197 243 D C 2.118 178.216 176.300 -0.336 0.000 0.987 243 D CA 1.471 55.300 54.000 -0.286 0.000 0.829 243 D CB -0.068 40.646 40.800 -0.143 0.000 0.961 243 D HN 0.356 nan 8.370 nan 0.000 0.460 244 Q N -0.449 119.057 119.800 -0.490 0.000 2.050 244 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 244 Q C 2.192 178.146 176.000 -0.077 0.000 0.980 244 Q CA 1.087 56.663 55.803 -0.379 0.000 0.840 244 Q CB -0.539 27.868 28.738 -0.552 0.000 0.898 244 Q HN 0.579 nan 8.270 nan 0.000 0.424 245 W N 0.283 121.585 121.300 0.002 0.000 2.402 245 W HA 0.066 4.726 4.660 -0.000 0.000 0.286 245 W C 2.313 178.809 176.519 -0.037 0.000 1.221 245 W CA 0.616 57.993 57.345 0.053 0.000 1.257 245 W CB -1.099 28.454 29.460 0.157 0.000 1.120 245 W HN 0.159 nan 8.180 nan 0.000 0.551 246 A N 0.836 123.554 122.820 -0.170 0.000 1.873 246 A HA -0.207 4.113 4.320 -0.000 0.000 0.215 246 A C 2.067 179.506 177.584 -0.242 0.000 1.186 246 A CA 1.975 53.644 52.037 -0.613 0.000 0.616 246 A CB -0.746 17.654 19.000 -0.999 0.000 0.823 246 A HN 0.226 nan 8.150 nan 0.000 0.442 247 K N -0.122 120.174 120.400 -0.173 0.000 2.063 247 K HA -0.165 4.155 4.320 -0.000 0.000 0.208 247 K C 1.805 178.386 176.600 -0.031 0.000 1.048 247 K CA 1.631 57.858 56.287 -0.100 0.000 0.928 247 K CB -0.208 32.234 32.500 -0.096 0.000 0.713 247 K HN 0.602 nan 8.250 nan 0.000 0.442 248 E N 0.492 120.706 120.200 0.023 0.000 2.331 248 E HA -0.195 4.155 4.350 -0.000 0.000 0.199 248 E C 0.776 177.406 176.600 0.050 0.000 1.008 248 E CA 0.856 57.293 56.400 0.061 0.000 0.843 248 E CB 0.095 29.873 29.700 0.130 0.000 0.761 248 E HN 0.387 nan 8.360 nan 0.000 0.507 249 Q N -0.868 118.955 119.800 0.039 0.000 2.141 249 Q HA 0.199 4.539 4.340 -0.000 0.000 0.248 249 Q C 0.440 176.451 176.000 0.018 0.000 0.834 249 Q CA 0.130 55.962 55.803 0.047 0.000 1.096 249 Q CB 1.500 30.301 28.738 0.106 0.000 1.189 249 Q HN 0.284 nan 8.270 nan 0.000 0.471 250 G N 1.774 110.568 108.800 -0.011 0.000 2.233 250 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.270 250 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.270 250 G C -0.016 174.861 174.900 -0.038 0.000 1.011 250 G CA 0.702 45.788 45.100 -0.022 0.000 0.762 250 G HN 0.182 nan 8.290 nan 0.000 0.511 251 K N -0.421 119.931 120.400 -0.080 0.000 2.295 251 K HA 0.748 5.068 4.320 -0.000 0.000 0.239 251 K C -0.072 176.402 176.600 -0.209 0.000 0.991 251 K CA -0.104 56.115 56.287 -0.113 0.000 0.845 251 K CB 2.147 34.593 32.500 -0.090 0.000 1.197 251 K HN 0.544 nan 8.250 nan 0.000 0.441 252 S N -1.393 114.195 115.700 -0.186 0.000 2.549 252 S HA 0.413 4.882 4.470 -0.000 0.000 0.280 252 S C -0.212 174.292 174.600 -0.159 0.000 1.109 252 S CA -0.760 57.320 58.200 -0.199 0.000 0.905 252 S CB 1.500 64.621 63.200 -0.132 0.000 1.081 252 S HN 0.367 nan 8.310 nan 0.000 0.477 253 V N 0.332 120.150 119.914 -0.160 0.000 2.854 253 V HA 0.436 4.556 4.120 -0.000 0.000 0.366 253 V C 1.591 177.649 176.094 -0.061 0.000 1.322 253 V CA 0.239 62.523 62.300 -0.027 0.000 1.243 253 V CB -0.666 31.197 31.823 0.068 0.000 1.337 253 V HN 0.913 nan 8.190 nan 0.000 0.585 254 S N 2.077 117.711 115.700 -0.110 0.000 2.393 254 S HA -0.315 4.154 4.470 -0.000 0.000 0.234 254 S C 1.937 176.441 174.600 -0.160 0.000 1.064 254 S CA 3.112 61.223 58.200 -0.149 0.000 1.088 254 S CB -0.371 62.755 63.200 -0.124 0.000 0.939 254 S HN 0.781 nan 8.310 nan 0.000 0.448 255 T N 0.920 115.406 114.554 -0.114 0.000 2.788 255 T HA -0.014 4.336 4.350 -0.000 0.000 0.268 255 T C 2.093 176.663 174.700 -0.217 0.000 1.044 255 T CA 1.516 63.535 62.100 -0.135 0.000 1.139 255 T CB -0.431 68.391 68.868 -0.076 0.000 0.867 255 T HN 0.449 nan 8.240 nan 0.000 0.454 256 S N 0.691 116.281 115.700 -0.184 0.000 2.402 256 S HA -0.038 4.432 4.470 -0.000 0.000 0.229 256 S C 2.238 176.545 174.600 -0.488 0.000 1.021 256 S CA 0.489 58.444 58.200 -0.408 0.000 0.974 256 S CB -0.295 62.900 63.200 -0.008 0.000 0.800 256 S HN 0.271 nan 8.310 nan 0.000 0.484 257 V N 1.627 121.366 119.914 -0.292 0.000 2.490 257 V HA -0.129 3.990 4.120 -0.000 0.000 0.250 257 V C 2.536 178.374 176.094 -0.427 0.000 1.061 257 V CA 1.852 63.912 62.300 -0.400 0.000 1.064 257 V CB -1.332 30.154 31.823 -0.563 0.000 0.670 257 V HN 0.581 nan 8.190 nan 0.000 0.461 258 G N -0.323 108.258 108.800 -0.365 0.000 2.408 258 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.217 258 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.217 258 G C 1.668 176.371 174.900 -0.329 0.000 1.150 258 G CA 0.665 45.584 45.100 -0.301 0.000 0.776 258 G HN 0.466 nan 8.290 nan 0.000 0.542 259 K N 0.581 120.700 120.400 -0.468 0.000 2.026 259 K HA 0.076 4.396 4.320 -0.000 0.000 0.208 259 K C 2.950 179.329 176.600 -0.368 0.000 1.048 259 K CA 1.015 56.992 56.287 -0.517 0.000 0.929 259 K CB -0.248 31.754 32.500 -0.831 0.000 0.713 259 K HN 0.238 nan 8.250 nan 0.000 0.439 260 A N 0.900 123.422 122.820 -0.495 0.000 1.940 260 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 260 A C 2.215 179.884 177.584 0.142 0.000 1.176 260 A CA 2.099 54.160 52.037 0.040 0.000 0.631 260 A CB -0.953 18.203 19.000 0.259 0.000 0.814 260 A HN 0.262 nan 8.150 nan 0.000 0.446 261 T N -0.719 113.851 114.554 0.026 0.000 2.777 261 T HA -0.102 4.247 4.350 -0.000 0.000 0.266 261 T C 1.984 176.731 174.700 0.078 0.000 1.040 261 T CA 1.668 63.803 62.100 0.059 0.000 1.141 261 T CB -0.129 68.714 68.868 -0.041 0.000 0.868 261 T HN 0.642 nan 8.240 nan 0.000 0.444 262 K N 0.776 121.174 120.400 -0.003 0.000 2.097 262 K HA 0.027 4.346 4.320 -0.000 0.000 0.205 262 K C 2.374 179.107 176.600 0.221 0.000 1.050 262 K CA 1.044 57.295 56.287 -0.061 0.000 0.938 262 K CB -0.221 31.974 32.500 -0.510 0.000 0.718 262 K HN 0.275 nan 8.250 nan 0.000 0.442 263 M N -0.012 119.806 119.600 0.364 0.000 2.117 263 M HA -0.093 4.387 4.480 -0.000 0.000 0.262 263 M C 1.881 178.414 176.300 0.389 0.000 1.065 263 M CA 2.143 57.747 55.300 0.508 0.000 1.114 263 M CB -0.325 32.588 32.600 0.521 0.000 1.361 263 M HN 0.303 nan 8.290 nan 0.000 0.408 264 G N -0.371 108.597 108.800 0.279 0.000 2.443 264 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.219 264 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.219 264 G C 1.165 176.300 174.900 0.392 0.000 1.131 264 G CA 0.970 46.218 45.100 0.248 0.000 0.775 264 G HN 0.449 nan 8.290 nan 0.000 0.547 265 D N -0.082 120.478 120.400 0.267 0.000 2.097 265 D HA -0.077 4.562 4.640 -0.000 0.000 0.197 265 D C 1.968 178.257 176.300 -0.019 0.000 0.984 265 D CA 0.670 54.760 54.000 0.149 0.000 0.826 265 D CB -0.118 40.735 40.800 0.089 0.000 0.973 265 D HN 0.383 nan 8.370 nan 0.000 0.460 266 Y N 0.180 120.524 120.300 0.073 0.000 2.439 266 Y HA -0.054 4.496 4.550 -0.000 0.000 0.292 266 Y C 2.013 177.866 175.900 -0.077 0.000 1.130 266 Y CA 0.171 58.266 58.100 -0.009 0.000 1.254 266 Y CB -0.160 38.340 38.460 0.067 0.000 1.000 266 Y HN -0.002 nan 8.280 nan 0.000 0.554 267 L N 0.692 122.057 121.223 0.236 0.000 2.353 267 L HA -0.157 4.183 4.340 -0.000 0.000 0.220 267 L C 1.930 178.686 176.870 -0.189 0.000 1.133 267 L CA 1.439 56.427 54.840 0.248 0.000 0.798 267 L CB -0.478 41.858 42.059 0.461 0.000 0.922 267 L HN 0.075 nan 8.230 nan 0.000 0.445 268 R N -2.110 118.098 120.500 -0.487 0.000 2.293 268 R HA -0.179 4.161 4.340 -0.000 0.000 0.219 268 R C 1.738 177.609 176.300 -0.715 0.000 1.091 268 R CA 0.990 56.399 56.100 -1.153 0.000 1.004 268 R CB -0.379 29.445 30.300 -0.793 0.000 0.865 268 R HN 0.365 nan 8.270 nan 0.000 0.469 269 Y N 0.676 120.684 120.300 -0.487 0.000 2.421 269 Y HA -0.181 4.369 4.550 -0.000 0.000 0.292 269 Y C 2.583 178.431 175.900 -0.085 0.000 1.136 269 Y CA 1.447 59.353 58.100 -0.323 0.000 1.255 269 Y CB -0.129 37.874 38.460 -0.762 0.000 0.991 269 Y HN 0.111 nan 8.280 nan 0.000 0.552 270 S N -1.179 114.563 115.700 0.069 0.000 2.481 270 S HA -0.124 4.345 4.470 -0.000 0.000 0.231 270 S C 1.606 176.335 174.600 0.215 0.000 0.996 270 S CA 0.515 58.868 58.200 0.255 0.000 0.942 270 S CB -0.818 62.595 63.200 0.354 0.000 0.768 270 S HN 0.234 nan 8.310 nan 0.000 0.520 271 F N 1.300 121.110 119.950 -0.234 0.000 2.604 271 F HA 0.392 4.918 4.527 -0.000 0.000 0.298 271 F C 0.520 175.473 175.800 -1.412 0.000 1.131 271 F CA -1.357 56.183 58.000 -0.767 0.000 1.457 271 F CB -1.079 37.376 39.000 -0.908 0.000 1.095 271 F HN 0.149 nan 8.300 nan 0.000 0.574 272 F N -0.084 119.553 119.950 -0.523 0.000 2.432 272 F HA 0.283 4.810 4.527 -0.000 0.000 0.329 272 F C 0.636 176.134 175.800 -0.503 0.000 1.076 272 F CA -1.744 55.869 58.000 -0.644 0.000 1.018 272 F CB 0.350 38.879 39.000 -0.785 0.000 1.201 272 F HN -0.308 nan 8.300 nan 0.000 0.489 273 D N 1.328 121.591 120.400 -0.229 0.000 2.423 273 D HA 0.009 4.649 4.640 -0.000 0.000 0.238 273 D C 1.266 177.462 176.300 -0.174 0.000 1.142 273 D CA 0.187 54.151 54.000 -0.058 0.000 0.884 273 D CB 0.886 41.731 40.800 0.075 0.000 1.199 273 D HN 0.568 nan 8.370 nan 0.000 0.438 274 K N 1.825 122.169 120.400 -0.092 0.000 2.052 274 K HA -0.250 4.069 4.320 -0.000 0.000 0.215 274 K C 0.427 176.897 176.600 -0.216 0.000 1.053 274 K CA 1.534 57.699 56.287 -0.203 0.000 0.934 274 K CB -0.148 32.171 32.500 -0.303 0.000 0.717 274 K HN 0.591 nan 8.250 nan 0.000 0.450 275 Y N -0.705 119.797 120.300 0.337 0.000 2.720 275 Y HA 0.230 4.780 4.550 -0.000 0.000 0.277 275 Y C -0.762 175.414 175.900 0.460 0.000 1.144 275 Y CA -0.694 57.666 58.100 0.435 0.000 1.221 275 Y CB -0.073 38.652 38.460 0.442 0.000 1.163 275 Y HN 0.021 nan 8.280 nan 0.000 0.537 276 F N -0.300 119.801 119.950 0.253 0.000 3.067 276 F HA -0.307 4.220 4.527 -0.000 0.000 0.279 276 F C 0.584 176.456 175.800 0.120 0.000 0.945 276 F CA 0.012 58.123 58.000 0.184 0.000 0.948 276 F CB -1.185 37.890 39.000 0.125 0.000 0.898 276 F HN 0.061 nan 8.300 nan 0.000 0.746 277 R N 0.875 121.484 120.500 0.182 0.000 2.531 277 R HA 0.362 4.702 4.340 -0.000 0.000 0.273 277 R C 0.660 177.003 176.300 0.072 0.000 1.070 277 R CA -0.791 55.329 56.100 0.033 0.000 1.112 277 R CB 0.603 30.771 30.300 -0.220 0.000 1.049 277 R HN 0.268 nan 8.270 nan 0.000 0.508 278 K N 1.602 122.030 120.400 0.046 0.000 2.436 278 K HA 0.075 4.395 4.320 -0.000 0.000 0.275 278 K C 0.297 176.941 176.600 0.072 0.000 0.999 278 K CA -0.077 56.247 56.287 0.062 0.000 0.980 278 K CB 0.376 32.905 32.500 0.048 0.000 0.919 278 K HN 0.250 nan 8.250 nan 0.000 0.484 279 I N 2.397 123.010 120.570 0.073 0.000 2.452 279 I HA 0.018 4.187 4.170 -0.000 0.000 0.287 279 I C 1.494 177.669 176.117 0.096 0.000 1.079 279 I CA 0.793 62.147 61.300 0.091 0.000 1.387 279 I CB -0.198 37.842 38.000 0.067 0.000 1.404 279 I HN 1.035 nan 8.210 nan 0.000 0.522 280 G N 5.683 114.550 108.800 0.111 0.000 2.195 280 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.246 280 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.246 280 G C 0.424 175.369 174.900 0.075 0.000 0.984 280 G CA -0.173 44.983 45.100 0.095 0.000 0.633 280 G HN 0.578 nan 8.290 nan 0.000 0.525 281 Q N -0.173 119.670 119.800 0.073 0.000 3.449 281 Q HA 0.202 4.542 4.340 -0.000 0.000 0.272 281 Q C -1.712 174.309 176.000 0.035 0.000 0.787 281 Q CA -0.900 54.932 55.803 0.049 0.000 0.904 281 Q CB 1.796 30.553 28.738 0.032 0.000 1.536 281 Q HN 0.309 nan 8.270 nan 0.000 0.387 282 P HA -0.247 nan 4.420 nan 0.000 0.219 282 P C 1.063 178.271 177.300 -0.152 0.000 1.144 282 P CA 1.589 64.699 63.100 0.016 0.000 0.806 282 P CB 0.294 32.158 31.700 0.273 0.000 0.771 283 S N -2.178 113.481 115.700 -0.067 0.000 2.461 283 S HA -0.025 4.445 4.470 -0.000 0.000 0.228 283 S C 1.158 175.691 174.600 -0.112 0.000 1.005 283 S CA 0.019 58.159 58.200 -0.100 0.000 0.942 283 S CB -0.673 62.503 63.200 -0.040 0.000 0.776 283 S HN 0.225 nan 8.310 nan 0.000 0.514 284 Q N 1.211 120.964 119.800 -0.078 0.000 2.261 284 Q HA 0.658 4.998 4.340 -0.000 0.000 0.252 284 Q C -0.393 175.571 176.000 -0.060 0.000 0.915 284 Q CA -0.501 55.268 55.803 -0.056 0.000 0.915 284 Q CB 1.495 30.220 28.738 -0.022 0.000 1.204 284 Q HN 0.518 nan 8.270 nan 0.000 0.421 285 A N 1.906 124.698 122.820 -0.047 0.000 2.425 285 A HA 0.532 4.852 4.320 -0.000 0.000 0.249 285 A C 0.423 178.021 177.584 0.023 0.000 1.084 285 A CA 0.087 52.114 52.037 -0.017 0.000 0.781 285 A CB 0.321 19.310 19.000 -0.018 0.000 1.019 285 A HN 0.778 nan 8.150 nan 0.000 0.490 286 G N -0.095 108.749 108.800 0.072 0.000 2.503 286 G HA2 0.403 4.362 3.960 -0.000 0.000 0.257 286 G HA3 0.403 4.362 3.960 -0.000 0.000 0.257 286 G C 0.832 175.776 174.900 0.073 0.000 1.214 286 G CA 0.447 45.606 45.100 0.100 0.000 0.839 286 G HN 1.200 nan 8.290 nan 0.000 0.559 287 T N -1.864 112.733 114.554 0.072 0.000 3.054 287 T HA 0.530 4.880 4.350 -0.000 0.000 0.255 287 T C 1.208 175.942 174.700 0.056 0.000 1.035 287 T CA 0.874 63.004 62.100 0.049 0.000 0.941 287 T CB 0.329 69.225 68.868 0.046 0.000 1.026 287 T HN 1.651 nan 8.240 nan 0.000 0.533 288 G N 0.673 109.528 108.800 0.092 0.000 2.251 288 G HA2 0.030 3.990 3.960 -0.000 0.000 0.058 288 G HA3 0.030 3.990 3.960 -0.000 0.000 0.058 288 G C -0.273 174.728 174.900 0.169 0.000 0.922 288 G CA -0.302 44.843 45.100 0.074 0.000 1.133 288 G HN 0.091 nan 8.290 nan 0.000 0.410 289 Y N 2.905 123.328 120.300 0.205 0.000 2.632 289 Y HA 0.082 4.632 4.550 -0.000 0.000 0.301 289 Y C 2.422 178.361 175.900 0.065 0.000 1.172 289 Y CA 1.523 59.730 58.100 0.178 0.000 1.328 289 Y CB 0.197 38.749 38.460 0.153 0.000 1.016 289 Y HN 0.461 nan 8.280 nan 0.000 0.529 290 D N -1.134 119.393 120.400 0.212 0.000 2.363 290 D HA -0.007 4.632 4.640 -0.000 0.000 0.226 290 D C 1.398 177.749 176.300 0.086 0.000 1.020 290 D CA 0.767 54.845 54.000 0.130 0.000 0.892 290 D CB -0.165 40.702 40.800 0.111 0.000 0.900 290 D HN 0.192 nan 8.370 nan 0.000 0.531 291 A N -0.336 122.550 122.820 0.110 0.000 2.465 291 A HA 0.635 4.955 4.320 -0.000 0.000 0.255 291 A C 0.808 178.307 177.584 -0.143 0.000 1.274 291 A CA -0.088 52.006 52.037 0.094 0.000 0.920 291 A CB 0.078 19.247 19.000 0.281 0.000 1.033 291 A HN 0.288 nan 8.150 nan 0.000 0.516 292 A N 0.293 122.861 122.820 -0.419 0.000 2.271 292 A HA 0.564 4.884 4.320 -0.000 0.000 0.317 292 A C 0.441 177.503 177.584 -0.870 0.000 1.245 292 A CA -0.366 51.002 52.037 -1.115 0.000 0.857 292 A CB 0.014 18.041 19.000 -1.622 0.000 1.175 292 A HN 0.653 nan 8.150 nan 0.000 0.512 293 H N -0.004 118.705 119.070 -0.601 0.000 2.563 293 H HA 0.201 4.756 4.556 -0.000 0.000 0.264 293 H C -0.248 174.857 175.328 -0.371 0.000 0.957 293 H CA 0.261 56.088 56.048 -0.369 0.000 1.173 293 H CB -0.544 29.070 29.762 -0.246 0.000 1.420 293 H HN 0.711 nan 8.280 nan 0.000 0.551 294 Y N -0.728 119.236 120.300 -0.561 0.000 4.604 294 Y HA -0.238 4.312 4.550 -0.000 0.000 0.230 294 Y C -0.255 175.166 175.900 -0.798 0.000 1.066 294 Y CA 0.323 57.880 58.100 -0.905 0.000 1.990 294 Y CB -2.185 35.852 38.460 -0.705 0.000 1.619 294 Y HN 0.268 nan 8.280 nan 0.000 0.649 295 L N -0.122 121.050 121.223 -0.085 0.000 2.331 295 L HA 0.501 4.841 4.340 -0.000 0.000 0.268 295 L C 0.520 177.481 176.870 0.152 0.000 1.015 295 L CA -1.215 53.562 54.840 -0.106 0.000 0.807 295 L CB 1.216 43.055 42.059 -0.366 0.000 1.293 295 L HN -0.067 nan 8.230 nan 0.000 0.451 296 L N 1.719 123.036 121.223 0.158 0.000 2.356 296 L HA 0.163 4.502 4.340 -0.000 0.000 0.282 296 L C 0.696 177.686 176.870 0.200 0.000 1.132 296 L CA -0.260 54.763 54.840 0.305 0.000 0.923 296 L CB 0.423 42.685 42.059 0.337 0.000 1.278 296 L HN 0.749 nan 8.230 nan 0.000 0.436 297 S N 1.566 117.382 115.700 0.193 0.000 2.634 297 S HA -0.023 4.447 4.470 -0.000 0.000 0.254 297 S C 1.023 175.623 174.600 0.000 0.000 1.299 297 S CA -0.475 57.740 58.200 0.025 0.000 0.974 297 S CB 0.503 63.715 63.200 0.021 0.000 1.001 297 S HN 0.700 nan 8.310 nan 0.000 0.584 298 W N 1.234 122.308 121.300 -0.376 0.000 2.465 298 W HA 0.057 4.717 4.660 -0.000 0.000 0.268 298 W C -0.127 176.360 176.519 -0.054 0.000 1.242 298 W CA 1.360 58.451 57.345 -0.422 0.000 1.248 298 W CB -0.141 29.036 29.460 -0.471 0.000 1.118 298 W HN 0.829 nan 8.180 nan 0.000 0.587 299 Y N -2.609 117.807 120.300 0.192 0.000 2.972 299 Y HA 0.363 4.913 4.550 -0.000 0.000 0.387 299 Y C -1.838 174.236 175.900 0.290 0.000 1.212 299 Y CA -2.607 55.591 58.100 0.164 0.000 1.147 299 Y CB -0.414 38.113 38.460 0.111 0.000 1.561 299 Y HN -0.012 nan 8.280 nan 0.000 0.454 300 Y N 0.062 120.693 120.300 0.552 0.000 2.513 300 Y HA 1.035 5.585 4.550 -0.000 0.000 0.340 300 Y C -1.307 174.886 175.900 0.489 0.000 1.055 300 Y CA -1.399 56.977 58.100 0.460 0.000 1.020 300 Y CB 1.611 40.271 38.460 0.333 0.000 1.301 300 Y HN 1.348 nan 8.280 nan 0.000 0.453 301 A N 2.782 125.966 122.820 0.607 0.000 2.556 301 A HA 0.892 5.212 4.320 -0.000 0.000 0.294 301 A C -2.024 175.745 177.584 0.309 0.000 1.091 301 A CA -0.503 51.792 52.037 0.430 0.000 0.704 301 A CB 1.289 20.472 19.000 0.304 0.000 1.300 301 A HN 1.399 nan 8.150 nan 0.000 0.406 302 W N -0.069 120.972 121.300 -0.430 0.000 3.118 302 W HA 0.796 5.456 4.660 -0.000 0.000 0.328 302 W C -0.257 175.475 176.519 -1.312 0.000 1.239 302 W CA -0.367 56.357 57.345 -1.036 0.000 1.176 302 W CB 0.939 30.106 29.460 -0.488 0.000 1.433 302 W HN 1.432 nan 8.180 nan 0.000 0.562 303 G N -0.017 107.703 108.800 -1.801 0.000 2.608 303 G HA2 0.734 4.694 3.960 -0.000 0.000 0.291 303 G HA3 0.734 4.694 3.960 -0.000 0.000 0.291 303 G C -1.205 172.856 174.900 -1.398 0.000 1.425 303 G CA -0.160 44.100 45.100 -1.399 0.000 0.787 303 G HN 1.493 nan 8.290 nan 0.000 0.484 304 G N -1.863 105.714 108.800 -2.038 0.000 2.606 304 G HA2 0.733 4.693 3.960 -0.000 0.000 0.300 304 G HA3 0.733 4.693 3.960 -0.000 0.000 0.300 304 G C -0.274 173.484 174.900 -1.903 0.000 1.360 304 G CA 0.287 44.321 45.100 -1.776 0.000 0.783 304 G HN 1.348 nan 8.290 nan 0.000 0.484 305 G N -1.321 106.432 108.800 -1.745 0.000 2.476 305 G HA2 0.508 4.468 3.960 -0.000 0.000 0.286 305 G HA3 0.508 4.468 3.960 -0.000 0.000 0.286 305 G C 0.502 175.214 174.900 -0.313 0.000 1.177 305 G CA -0.536 44.018 45.100 -0.909 0.000 0.870 305 G HN 0.489 nan 8.290 nan 0.000 0.528 306 I N -0.216 120.235 120.570 -0.198 0.000 2.810 306 I HA 0.081 4.251 4.170 -0.000 0.000 0.262 306 I C 0.912 177.014 176.117 -0.024 0.000 1.131 306 I CA 0.433 61.630 61.300 -0.172 0.000 1.453 306 I CB 0.319 38.095 38.000 -0.373 0.000 1.161 306 I HN 0.520 nan 8.210 nan 0.000 0.444 307 D N 0.740 121.141 120.400 0.001 0.000 2.892 307 D HA 0.162 4.802 4.640 -0.000 0.000 0.291 307 D C -0.238 176.115 176.300 0.090 0.000 1.341 307 D CA -0.183 53.846 54.000 0.048 0.000 0.844 307 D CB 0.228 41.048 40.800 0.033 0.000 1.093 307 D HN 0.189 nan 8.370 nan 0.000 0.480 308 S N -1.160 114.607 115.700 0.111 0.000 2.675 308 S HA 0.345 4.815 4.470 -0.000 0.000 0.297 308 S C -0.755 173.949 174.600 0.174 0.000 1.035 308 S CA -0.839 57.474 58.200 0.189 0.000 0.852 308 S CB 0.504 63.880 63.200 0.292 0.000 1.051 308 S HN 0.241 nan 8.310 nan 0.000 0.451 309 T N 1.893 116.567 114.554 0.201 0.000 2.733 309 T HA 0.762 5.112 4.350 -0.000 0.000 0.294 309 T C -0.070 174.805 174.700 0.292 0.000 0.956 309 T CA -0.423 61.763 62.100 0.143 0.000 0.987 309 T CB -0.084 68.859 68.868 0.125 0.000 0.920 309 T HN 1.434 nan 8.240 nan 0.000 0.470 310 W N 1.036 122.396 121.300 0.099 0.000 2.986 310 W HA 0.589 5.249 4.660 -0.000 0.000 0.345 310 W C -1.647 174.951 176.519 0.132 0.000 1.191 310 W CA -0.894 56.518 57.345 0.111 0.000 1.170 310 W CB 0.348 29.863 29.460 0.092 0.000 1.438 310 W HN 1.015 nan 8.180 nan 0.000 0.567 311 S N 0.161 116.121 115.700 0.434 0.000 2.615 311 S HA 0.811 5.281 4.470 -0.000 0.000 0.268 311 S C -1.378 173.575 174.600 0.589 0.000 1.146 311 S CA -0.808 57.536 58.200 0.239 0.000 0.818 311 S CB 2.237 65.496 63.200 0.098 0.000 1.111 311 S HN 1.300 nan 8.310 nan 0.000 0.465 312 W N -0.188 121.326 121.300 0.356 0.000 3.074 312 W HA 0.816 5.476 4.660 -0.000 0.000 0.332 312 W C -2.423 174.287 176.519 0.318 0.000 1.253 312 W CA -1.327 56.274 57.345 0.426 0.000 1.180 312 W CB 0.413 30.091 29.460 0.363 0.000 1.445 312 W HN 0.779 nan 8.180 nan 0.000 0.573 313 I N 3.089 123.993 120.570 0.557 0.000 2.692 313 I HA 0.485 4.655 4.170 -0.000 0.000 0.293 313 I C -0.428 176.008 176.117 0.532 0.000 1.200 313 I CA -1.142 60.314 61.300 0.261 0.000 1.036 313 I CB 2.492 40.350 38.000 -0.237 0.000 1.258 313 I HN 0.478 nan 8.210 nan 0.000 0.421 314 I N 0.978 121.852 120.570 0.506 0.000 2.828 314 I HA 0.904 5.074 4.170 -0.000 0.000 0.302 314 I C 0.048 176.368 176.117 0.339 0.000 1.101 314 I CA -0.530 61.033 61.300 0.438 0.000 1.031 314 I CB 2.124 40.329 38.000 0.341 0.000 1.231 314 I HN 0.575 nan 8.210 nan 0.000 0.427 315 G N 1.715 110.587 108.800 0.120 0.000 2.773 315 G HA2 0.601 4.561 3.960 -0.000 0.000 0.186 315 G HA3 0.601 4.561 3.960 -0.000 0.000 0.186 315 G C -0.909 174.006 174.900 0.024 0.000 1.411 315 G CA -0.545 44.609 45.100 0.090 0.000 1.054 315 G HN 0.732 nan 8.290 nan 0.000 0.579 316 S N -2.281 113.355 115.700 -0.106 0.000 2.543 316 S HA 0.469 4.939 4.470 -0.000 0.000 0.271 316 S C 0.492 174.958 174.600 -0.224 0.000 1.148 316 S CA -0.200 57.782 58.200 -0.363 0.000 0.914 316 S CB 1.677 64.421 63.200 -0.759 0.000 1.096 316 S HN 0.379 nan 8.310 nan 0.000 0.471 317 S N 2.351 117.811 115.700 -0.399 0.000 2.478 317 S HA 0.120 4.590 4.470 -0.000 0.000 0.222 317 S C 0.268 174.651 174.600 -0.362 0.000 1.008 317 S CA 0.274 58.286 58.200 -0.313 0.000 0.928 317 S CB -0.201 62.796 63.200 -0.338 0.000 0.781 317 S HN 0.775 nan 8.310 nan 0.000 0.518 318 H N 2.822 121.747 119.070 -0.241 0.000 2.620 318 H HA 0.417 4.973 4.556 -0.000 0.000 0.313 318 H C -0.255 174.924 175.328 -0.248 0.000 1.075 318 H CA -0.248 55.640 56.048 -0.267 0.000 1.397 318 H CB 0.199 29.748 29.762 -0.355 0.000 1.446 318 H HN 0.155 nan 8.280 nan 0.000 0.493 319 N N 2.346 120.991 118.700 -0.092 0.000 2.399 319 N HA 0.081 4.821 4.740 -0.000 0.000 0.284 319 N C -0.761 174.813 175.510 0.107 0.000 1.025 319 N CA -0.457 52.525 53.050 -0.114 0.000 0.885 319 N CB 2.176 40.412 38.487 -0.418 0.000 1.339 319 N HN 0.586 nan 8.380 nan 0.000 0.487 320 H N 2.204 121.316 119.070 0.071 0.000 2.472 320 H HA 0.133 4.689 4.556 -0.000 0.000 0.338 320 H C 0.588 176.058 175.328 0.236 0.000 1.133 320 H CA -0.575 55.570 56.048 0.161 0.000 1.216 320 H CB 1.168 31.034 29.762 0.174 0.000 1.497 320 H HN 0.540 nan 8.280 nan 0.000 0.500 321 F N 2.754 122.852 119.950 0.246 0.000 2.234 321 F HA 0.103 4.629 4.527 -0.000 0.000 0.299 321 F C 1.798 177.716 175.800 0.197 0.000 1.087 321 F CA 1.083 59.138 58.000 0.092 0.000 1.340 321 F CB -0.668 38.150 39.000 -0.303 0.000 1.031 321 F HN 0.519 nan 8.300 nan 0.000 0.500 322 G N -1.021 107.365 108.800 -0.689 0.000 2.535 322 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.218 322 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.218 322 G C 1.076 175.950 174.900 -0.042 0.000 1.122 322 G CA 0.628 45.349 45.100 -0.632 0.000 0.769 322 G HN 0.476 nan 8.290 nan 0.000 0.549 323 Y N 0.360 120.576 120.300 -0.140 0.000 2.503 323 Y HA 0.187 4.737 4.550 -0.000 0.000 0.278 323 Y C 1.464 177.364 175.900 -0.000 0.000 1.111 323 Y CA -0.475 57.573 58.100 -0.086 0.000 1.270 323 Y CB 0.048 38.452 38.460 -0.093 0.000 1.063 323 Y HN 0.113 nan 8.280 nan 0.000 0.548 324 Q N 1.000 120.897 119.800 0.162 0.000 2.432 324 Q HA 0.010 4.350 4.340 -0.000 0.000 0.264 324 Q C -0.182 175.957 176.000 0.232 0.000 1.035 324 Q CA 0.432 56.345 55.803 0.183 0.000 0.908 324 Q CB 0.361 29.151 28.738 0.088 0.000 1.280 324 Q HN 0.160 nan 8.270 nan 0.000 0.455 325 N N 1.634 120.498 118.700 0.272 0.000 2.710 325 N HA 0.226 4.965 4.740 -0.000 0.000 0.244 325 N C -2.413 173.254 175.510 0.262 0.000 1.321 325 N CA -1.596 51.592 53.050 0.230 0.000 0.758 325 N CB 1.151 39.721 38.487 0.139 0.000 1.284 325 N HN 0.042 nan 8.380 nan 0.000 0.530 326 P HA -0.051 nan 4.420 nan 0.000 0.219 326 P C 1.181 178.600 177.300 0.198 0.000 1.146 326 P CA 0.695 63.940 63.100 0.242 0.000 0.808 326 P CB 0.156 31.968 31.700 0.187 0.000 0.779 327 F N 0.784 120.749 119.950 0.025 0.000 2.113 327 F HA -0.070 4.457 4.527 -0.000 0.000 0.297 327 F C 2.269 178.023 175.800 -0.076 0.000 1.103 327 F CA 1.433 59.414 58.000 -0.031 0.000 1.248 327 F CB -0.895 38.054 39.000 -0.086 0.000 0.999 327 F HN -0.147 nan 8.300 nan 0.000 0.475 328 A N 0.214 123.009 122.820 -0.040 0.000 1.940 328 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 328 A C 2.346 179.646 177.584 -0.472 0.000 1.176 328 A CA 1.799 53.657 52.037 -0.300 0.000 0.631 328 A CB -1.504 17.367 19.000 -0.215 0.000 0.814 328 A HN 0.478 nan 8.150 nan 0.000 0.446 329 A N -1.757 120.951 122.820 -0.187 0.000 1.968 329 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 329 A C 1.939 179.483 177.584 -0.067 0.000 1.169 329 A CA 1.404 53.443 52.037 0.003 0.000 0.638 329 A CB -0.754 18.504 19.000 0.430 0.000 0.812 329 A HN 0.881 nan 8.150 nan 0.000 0.446 330 W N 0.598 121.710 121.300 -0.313 0.000 2.381 330 W HA -0.121 4.538 4.660 -0.000 0.000 0.301 330 W C 1.827 178.029 176.519 -0.529 0.000 1.205 330 W CA 1.934 59.055 57.345 -0.374 0.000 1.285 330 W CB -0.379 28.814 29.460 -0.446 0.000 1.133 330 W HN 0.079 nan 8.180 nan 0.000 0.521 331 V N 1.630 121.034 119.914 -0.850 0.000 2.220 331 V HA -0.351 3.768 4.120 -0.000 0.000 0.246 331 V C 2.384 178.003 176.094 -0.790 0.000 1.049 331 V CA 2.333 63.944 62.300 -1.149 0.000 1.003 331 V CB -1.256 29.845 31.823 -1.203 0.000 0.634 331 V HN 0.225 nan 8.190 nan 0.000 0.444 332 L N 0.839 121.680 121.223 -0.636 0.000 2.353 332 L HA -0.111 4.229 4.340 -0.000 0.000 0.220 332 L C 2.287 178.997 176.870 -0.266 0.000 1.133 332 L CA 1.559 56.133 54.840 -0.444 0.000 0.798 332 L CB -0.504 41.112 42.059 -0.739 0.000 0.922 332 L HN 0.576 nan 8.230 nan 0.000 0.445 333 S N -3.033 112.497 115.700 -0.284 0.000 2.505 333 S HA -0.013 4.457 4.470 -0.000 0.000 0.216 333 S C 1.597 176.043 174.600 -0.258 0.000 1.018 333 S CA 0.389 58.496 58.200 -0.154 0.000 0.911 333 S CB 0.127 63.310 63.200 -0.028 0.000 0.818 333 S HN 0.444 nan 8.310 nan 0.000 0.497 334 T N -2.355 111.908 114.554 -0.485 0.000 2.958 334 T HA 0.236 4.586 4.350 -0.000 0.000 0.256 334 T C -0.002 174.418 174.700 -0.466 0.000 0.983 334 T CA -0.160 61.644 62.100 -0.493 0.000 0.924 334 T CB -0.041 68.410 68.868 -0.696 0.000 1.136 334 T HN 0.215 nan 8.240 nan 0.000 0.506 335 D N 1.376 121.474 120.400 -0.503 0.000 2.317 335 D HA 0.537 5.177 4.640 -0.000 0.000 0.234 335 D C 1.372 177.598 176.300 -0.123 0.000 1.112 335 D CA 0.047 53.864 54.000 -0.304 0.000 0.840 335 D CB 1.824 42.448 40.800 -0.293 0.000 1.078 335 D HN 0.248 nan 8.370 nan 0.000 0.486 336 A N 4.874 127.631 122.820 -0.105 0.000 1.986 336 A HA -0.236 4.083 4.320 -0.000 0.000 0.220 336 A C 1.809 179.345 177.584 -0.080 0.000 1.171 336 A CA 1.189 53.175 52.037 -0.084 0.000 0.640 336 A CB -0.244 18.707 19.000 -0.081 0.000 0.811 336 A HN 0.674 nan 8.150 nan 0.000 0.451 337 N N -1.327 117.336 118.700 -0.063 0.000 2.309 337 N HA -0.072 4.667 4.740 -0.000 0.000 0.182 337 N C 0.294 175.609 175.510 -0.324 0.000 1.018 337 N CA 1.156 54.097 53.050 -0.180 0.000 0.876 337 N CB -0.182 38.190 38.487 -0.192 0.000 0.972 337 N HN 0.545 nan 8.380 nan 0.000 0.434 338 F N 0.787 120.644 119.950 -0.155 0.000 2.668 338 F HA 0.239 4.765 4.527 -0.000 0.000 0.301 338 F C 0.692 176.398 175.800 -0.155 0.000 1.106 338 F CA -0.628 57.277 58.000 -0.158 0.000 1.289 338 F CB 0.154 39.037 39.000 -0.195 0.000 1.006 338 F HN -0.289 nan 8.300 nan 0.000 0.535 339 K N 2.927 123.318 120.400 -0.014 0.000 2.402 339 K HA 0.154 4.474 4.320 -0.000 0.000 0.285 339 K C -2.542 174.048 176.600 -0.017 0.000 1.054 339 K CA -1.359 54.909 56.287 -0.032 0.000 1.001 339 K CB 0.315 32.782 32.500 -0.056 0.000 0.946 339 K HN -0.076 nan 8.250 nan 0.000 0.473 340 P HA 0.008 nan 4.420 nan 0.000 0.269 340 P C -0.221 177.080 177.300 0.002 0.000 1.209 340 P CA -0.218 62.913 63.100 0.051 0.000 0.776 340 P CB 0.792 32.558 31.700 0.111 0.000 0.876 341 K N 0.673 121.063 120.400 -0.017 0.000 2.097 341 K HA -0.023 4.297 4.320 -0.000 0.000 0.205 341 K C 1.009 177.503 176.600 -0.177 0.000 1.050 341 K CA 0.859 57.061 56.287 -0.142 0.000 0.938 341 K CB -0.343 31.978 32.500 -0.298 0.000 0.718 341 K HN 0.633 nan 8.250 nan 0.000 0.442 342 S N 0.979 116.585 115.700 -0.157 0.000 2.559 342 S HA -0.060 4.410 4.470 -0.000 0.000 0.282 342 S C 1.393 175.949 174.600 -0.073 0.000 1.336 342 S CA 0.107 58.225 58.200 -0.136 0.000 1.037 342 S CB 1.318 64.465 63.200 -0.088 0.000 0.853 342 S HN 0.319 nan 8.310 nan 0.000 0.523 343 S N 2.355 118.016 115.700 -0.065 0.000 2.359 343 S HA -0.224 4.246 4.470 -0.000 0.000 0.224 343 S C 1.207 175.802 174.600 -0.008 0.000 1.035 343 S CA 1.528 59.706 58.200 -0.037 0.000 1.018 343 S CB -1.046 62.137 63.200 -0.028 0.000 0.876 343 S HN 0.876 nan 8.310 nan 0.000 0.448 344 N N 1.009 119.721 118.700 0.021 0.000 2.236 344 N HA 0.213 4.953 4.740 -0.000 0.000 0.196 344 N C 1.708 177.262 175.510 0.074 0.000 1.114 344 N CA 0.263 53.339 53.050 0.043 0.000 0.859 344 N CB -0.007 38.532 38.487 0.088 0.000 0.982 344 N HN 0.558 nan 8.380 nan 0.000 0.493 345 G N 1.902 110.750 108.800 0.079 0.000 2.631 345 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.219 345 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.219 345 G C 1.610 176.664 174.900 0.257 0.000 1.214 345 G CA 1.255 46.451 45.100 0.161 0.000 0.785 345 G HN 0.349 nan 8.290 nan 0.000 0.596 346 A N 0.819 123.733 122.820 0.156 0.000 1.908 346 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 346 A C 2.765 180.424 177.584 0.125 0.000 1.181 346 A CA 2.971 55.087 52.037 0.133 0.000 0.627 346 A CB -0.770 18.247 19.000 0.028 0.000 0.818 346 A HN 0.874 nan 8.150 nan 0.000 0.445 347 S N -0.368 115.368 115.700 0.061 0.000 2.428 347 S HA -0.114 4.355 4.470 -0.000 0.000 0.230 347 S C 1.352 175.951 174.600 -0.003 0.000 1.014 347 S CA 1.208 59.412 58.200 0.006 0.000 0.957 347 S CB -0.379 62.796 63.200 -0.042 0.000 0.784 347 S HN 0.465 nan 8.310 nan 0.000 0.499 348 D N 0.849 121.283 120.400 0.057 0.000 2.144 348 D HA 0.002 4.642 4.640 -0.000 0.000 0.200 348 D C 1.175 177.527 176.300 0.086 0.000 0.978 348 D CA 0.811 54.858 54.000 0.079 0.000 0.833 348 D CB -0.350 40.561 40.800 0.184 0.000 0.961 348 D HN 0.603 nan 8.370 nan 0.000 0.470 349 W N 1.083 122.481 121.300 0.163 0.000 2.519 349 W HA 0.098 4.758 4.660 -0.000 0.000 0.266 349 W C 2.294 178.817 176.519 0.007 0.000 1.253 349 W CA 0.694 58.129 57.345 0.150 0.000 1.274 349 W CB 0.081 29.609 29.460 0.113 0.000 1.114 349 W HN -0.070 nan 8.180 nan 0.000 0.596 350 A N 0.362 123.272 122.820 0.150 0.000 1.897 350 A HA -0.140 4.180 4.320 -0.000 0.000 0.215 350 A C 1.890 179.440 177.584 -0.058 0.000 1.181 350 A CA 1.263 53.324 52.037 0.039 0.000 0.620 350 A CB -0.412 18.582 19.000 -0.011 0.000 0.821 350 A HN 0.220 nan 8.150 nan 0.000 0.443 351 K N -0.285 120.001 120.400 -0.190 0.000 2.097 351 K HA -0.084 4.236 4.320 -0.000 0.000 0.205 351 K C 2.337 178.690 176.600 -0.412 0.000 1.050 351 K CA 1.295 57.327 56.287 -0.426 0.000 0.938 351 K CB -0.203 31.788 32.500 -0.849 0.000 0.718 351 K HN 0.428 nan 8.250 nan 0.000 0.442 352 S N 1.283 116.792 115.700 -0.319 0.000 2.383 352 S HA -0.112 4.358 4.470 -0.000 0.000 0.227 352 S C 1.935 176.504 174.600 -0.051 0.000 1.026 352 S CA 0.703 58.715 58.200 -0.313 0.000 0.981 352 S CB -0.161 62.732 63.200 -0.512 0.000 0.818 352 S HN 0.223 nan 8.310 nan 0.000 0.472 353 L N 2.244 123.508 121.223 0.068 0.000 1.989 353 L HA -0.104 4.236 4.340 -0.000 0.000 0.211 353 L C 1.780 178.706 176.870 0.093 0.000 1.071 353 L CA 2.341 57.259 54.840 0.129 0.000 0.749 353 L CB -1.039 41.107 42.059 0.144 0.000 0.890 353 L HN 0.212 nan 8.230 nan 0.000 0.431 354 D N -0.845 119.576 120.400 0.034 0.000 2.117 354 D HA -0.193 4.446 4.640 -0.000 0.000 0.197 354 D C 2.307 178.655 176.300 0.080 0.000 0.987 354 D CA 1.123 55.154 54.000 0.053 0.000 0.829 354 D CB -0.156 40.647 40.800 0.006 0.000 0.961 354 D HN 0.175 nan 8.370 nan 0.000 0.460 355 R N 1.065 121.563 120.500 -0.003 0.000 2.081 355 R HA -0.062 4.278 4.340 -0.000 0.000 0.235 355 R C 2.133 178.521 176.300 0.148 0.000 1.131 355 R CA 1.346 57.464 56.100 0.030 0.000 0.960 355 R CB -0.438 29.786 30.300 -0.126 0.000 0.856 355 R HN 0.232 nan 8.270 nan 0.000 0.436 356 Q N -0.315 119.554 119.800 0.116 0.000 2.050 356 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 356 Q C 2.053 178.274 176.000 0.369 0.000 0.980 356 Q CA 1.756 57.681 55.803 0.203 0.000 0.840 356 Q CB -0.156 28.728 28.738 0.243 0.000 0.898 356 Q HN 0.339 nan 8.270 nan 0.000 0.424 357 L N 0.447 121.859 121.223 0.315 0.000 2.362 357 L HA -0.160 4.180 4.340 -0.000 0.000 0.219 357 L C 1.983 178.997 176.870 0.241 0.000 1.134 357 L CA 0.817 55.833 54.840 0.293 0.000 0.807 357 L CB -0.169 41.993 42.059 0.171 0.000 0.927 357 L HN 0.243 nan 8.230 nan 0.000 0.447 358 E N -0.632 119.715 120.200 0.244 0.000 2.112 358 E HA -0.169 4.180 4.350 -0.000 0.000 0.190 358 E C 1.963 178.515 176.600 -0.080 0.000 0.979 358 E CA 0.692 57.184 56.400 0.155 0.000 0.814 358 E CB -0.023 29.913 29.700 0.392 0.000 0.762 358 E HN 0.301 nan 8.360 nan 0.000 0.460 359 F N 0.806 120.639 119.950 -0.194 0.000 2.095 359 F HA -0.252 4.275 4.527 -0.000 0.000 0.298 359 F C 1.819 177.449 175.800 -0.282 0.000 1.104 359 F CA 1.466 59.109 58.000 -0.595 0.000 1.232 359 F CB -0.479 38.192 39.000 -0.549 0.000 0.987 359 F HN 0.009 nan 8.300 nan 0.000 0.475 360 Y N 0.017 120.248 120.300 -0.116 0.000 2.097 360 Y HA -0.316 4.234 4.550 -0.000 0.000 0.282 360 Y C 2.763 178.477 175.900 -0.311 0.000 1.152 360 Y CA 2.195 60.176 58.100 -0.198 0.000 1.136 360 Y CB -1.060 37.360 38.460 -0.067 0.000 0.975 360 Y HN 0.112 nan 8.280 nan 0.000 0.498 361 Q N -0.670 119.087 119.800 -0.073 0.000 2.124 361 Q HA -0.229 4.111 4.340 -0.000 0.000 0.202 361 Q C 1.966 177.827 176.000 -0.231 0.000 0.977 361 Q CA 1.829 57.495 55.803 -0.229 0.000 0.850 361 Q CB -0.732 27.959 28.738 -0.079 0.000 0.901 361 Q HN 0.595 nan 8.270 nan 0.000 0.429 362 W N -0.062 120.930 121.300 -0.513 0.000 2.374 362 W HA -0.072 4.588 4.660 -0.000 0.000 0.288 362 W C 0.714 177.070 176.519 -0.271 0.000 1.218 362 W CA 1.294 58.411 57.345 -0.379 0.000 1.245 362 W CB -0.063 29.034 29.460 -0.604 0.000 1.126 362 W HN 0.196 nan 8.180 nan 0.000 0.545 363 L N 0.597 121.457 121.223 -0.605 0.000 2.592 363 L HA 0.136 4.476 4.340 -0.000 0.000 0.227 363 L C 1.126 177.678 176.870 -0.530 0.000 1.127 363 L CA -0.051 54.312 54.840 -0.795 0.000 0.884 363 L CB -0.676 40.834 42.059 -0.916 0.000 1.065 363 L HN -0.155 nan 8.230 nan 0.000 0.457 364 Q N 1.638 121.229 119.800 -0.349 0.000 2.286 364 Q HA 0.126 4.466 4.340 -0.000 0.000 0.267 364 Q C 0.451 176.432 176.000 -0.033 0.000 1.028 364 Q CA -0.244 55.433 55.803 -0.211 0.000 0.901 364 Q CB 0.906 29.470 28.738 -0.290 0.000 1.183 364 Q HN 0.372 nan 8.270 nan 0.000 0.392 365 S N 2.925 118.597 115.700 -0.046 0.000 2.634 365 S HA 0.391 4.861 4.470 -0.000 0.000 0.261 365 S C 1.136 175.747 174.600 0.019 0.000 1.271 365 S CA -0.267 57.919 58.200 -0.023 0.000 0.985 365 S CB 1.102 64.322 63.200 0.033 0.000 0.968 365 S HN 0.781 nan 8.310 nan 0.000 0.568 366 A N 0.729 123.533 122.820 -0.026 0.000 1.892 366 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 366 A C 2.005 179.617 177.584 0.046 0.000 1.188 366 A CA 2.101 54.153 52.037 0.024 0.000 0.631 366 A CB -1.310 17.731 19.000 0.069 0.000 0.822 366 A HN 0.884 nan 8.150 nan 0.000 0.447 367 E N -1.961 118.232 120.200 -0.013 0.000 2.072 367 E HA 0.250 4.600 4.350 -0.000 0.000 0.190 367 E C 1.572 178.111 176.600 -0.101 0.000 0.982 367 E CA 1.350 57.711 56.400 -0.065 0.000 0.803 367 E CB -0.179 29.398 29.700 -0.206 0.000 0.755 367 E HN 0.757 nan 8.360 nan 0.000 0.453 368 G N -1.003 107.681 108.800 -0.193 0.000 3.033 368 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.208 368 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.208 368 G C 0.403 175.257 174.900 -0.076 0.000 1.006 368 G CA -0.224 44.841 45.100 -0.058 0.000 0.808 368 G HN 0.487 nan 8.290 nan 0.000 0.499 369 A N 1.208 123.708 122.820 -0.533 0.000 2.386 369 A HA 0.618 4.938 4.320 -0.000 0.000 0.246 369 A C 0.368 177.942 177.584 -0.016 0.000 1.089 369 A CA 0.215 52.053 52.037 -0.333 0.000 0.790 369 A CB 0.155 18.600 19.000 -0.924 0.000 1.042 369 A HN 0.541 nan 8.150 nan 0.000 0.497 370 I N 1.032 121.554 120.570 -0.079 0.000 2.336 370 I HA 0.436 4.606 4.170 -0.000 0.000 0.292 370 I C 0.938 176.507 176.117 -0.912 0.000 0.991 370 I CA -0.329 60.597 61.300 -0.623 0.000 1.227 370 I CB 0.298 37.569 38.000 -1.214 0.000 1.366 370 I HN 0.714 nan 8.210 nan 0.000 0.466 371 A N 4.698 126.912 122.820 -1.011 0.000 2.327 371 A HA 0.582 4.902 4.320 -0.000 0.000 0.255 371 A C 1.408 178.427 177.584 -0.941 0.000 1.099 371 A CA 0.292 51.549 52.037 -1.300 0.000 0.801 371 A CB -0.173 18.256 19.000 -0.952 0.000 1.062 371 A HN 0.916 nan 8.150 nan 0.000 0.496 372 G N -0.259 108.043 108.800 -0.830 0.000 2.900 372 G HA2 0.270 4.230 3.960 -0.000 0.000 0.212 372 G HA3 0.270 4.230 3.960 -0.000 0.000 0.212 372 G C 0.888 175.458 174.900 -0.550 0.000 1.359 372 G CA 1.799 46.499 45.100 -0.667 0.000 0.800 372 G HN 2.054 nan 8.290 nan 0.000 0.680 373 G N -2.323 106.210 108.800 -0.445 0.000 2.441 373 G HA2 0.652 4.612 3.960 -0.000 0.000 0.225 373 G HA3 0.652 4.612 3.960 -0.000 0.000 0.225 373 G C -1.336 173.644 174.900 0.133 0.000 1.200 373 G CA 0.353 45.404 45.100 -0.082 0.000 0.947 373 G HN 1.648 nan 8.290 nan 0.000 0.484 374 A N -1.653 121.378 122.820 0.350 0.000 2.602 374 A HA 0.936 5.256 4.320 -0.000 0.000 0.290 374 A C -0.718 176.955 177.584 0.148 0.000 1.114 374 A CA 0.365 52.596 52.037 0.324 0.000 0.683 374 A CB 1.590 20.931 19.000 0.567 0.000 1.281 374 A HN 1.701 nan 8.150 nan 0.000 0.416 375 T N -0.914 113.742 114.554 0.170 0.000 2.903 375 T HA 0.472 4.821 4.350 -0.000 0.000 0.299 375 T C 0.007 174.813 174.700 0.177 0.000 1.093 375 T CA -0.257 61.918 62.100 0.125 0.000 1.002 375 T CB 1.574 70.524 68.868 0.137 0.000 1.127 375 T HN 0.700 nan 8.240 nan 0.000 0.488 376 N N 1.203 119.975 118.700 0.120 0.000 2.236 376 N HA 0.219 4.958 4.740 -0.000 0.000 0.196 376 N C -0.374 175.285 175.510 0.248 0.000 1.114 376 N CA -0.066 53.102 53.050 0.197 0.000 0.859 376 N CB 0.589 39.190 38.487 0.190 0.000 0.982 376 N HN 0.320 nan 8.380 nan 0.000 0.493 377 S N 0.325 116.091 115.700 0.109 0.000 2.259 377 S HA 0.146 4.616 4.470 -0.000 0.000 0.181 377 S C -1.284 173.352 174.600 0.058 0.000 1.589 377 S CA -0.731 57.442 58.200 -0.044 0.000 1.234 377 S CB -0.374 62.508 63.200 -0.531 0.000 1.119 377 S HN 0.287 nan 8.310 nan 0.000 0.458 378 W N 4.443 125.767 121.300 0.040 0.000 2.417 378 W HA 0.006 4.666 4.660 -0.000 0.000 0.332 378 W C 0.108 176.642 176.519 0.025 0.000 1.413 378 W CA 0.764 58.136 57.345 0.044 0.000 1.299 378 W CB -0.074 29.425 29.460 0.065 0.000 1.304 378 W HN 0.856 nan 8.180 nan 0.000 0.565 379 N N 2.754 121.183 118.700 -0.451 0.000 2.753 379 N HA -0.206 4.534 4.740 -0.000 0.000 0.251 379 N C 0.879 176.320 175.510 -0.116 0.000 1.097 379 N CA 2.034 54.938 53.050 -0.244 0.000 0.786 379 N CB -1.576 36.896 38.487 -0.026 0.000 1.137 379 N HN 0.864 nan 8.380 nan 0.000 0.566 380 G N -0.564 108.178 108.800 -0.096 0.000 2.166 380 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.260 380 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.260 380 G C 0.566 175.374 174.900 -0.152 0.000 0.986 380 G CA 0.798 45.844 45.100 -0.090 0.000 0.683 380 G HN 0.588 nan 8.290 nan 0.000 0.527 381 R N -1.331 119.125 120.500 -0.074 0.000 2.642 381 R HA 0.344 4.684 4.340 -0.000 0.000 0.435 381 R C 0.232 176.641 176.300 0.182 0.000 1.046 381 R CA -0.620 55.526 56.100 0.077 0.000 1.103 381 R CB 0.381 30.749 30.300 0.113 0.000 1.425 381 R HN 0.370 nan 8.270 nan 0.000 0.586 382 Y N 0.334 120.758 120.300 0.206 0.000 3.305 382 Y HA -0.311 4.239 4.550 -0.000 0.000 0.212 382 Y C 0.351 176.347 175.900 0.159 0.000 1.248 382 Y CA 0.437 58.641 58.100 0.172 0.000 1.359 382 Y CB -2.131 36.397 38.460 0.114 0.000 1.407 382 Y HN 0.307 nan 8.280 nan 0.000 0.572 383 E N 0.028 120.408 120.200 0.300 0.000 2.351 383 E HA 0.642 4.992 4.350 -0.000 0.000 0.255 383 E C 0.517 177.246 176.600 0.216 0.000 1.188 383 E CA -0.074 56.480 56.400 0.256 0.000 0.940 383 E CB 0.639 30.511 29.700 0.287 0.000 1.094 383 E HN 0.370 nan 8.360 nan 0.000 0.474 384 A N 0.882 123.770 122.820 0.112 0.000 2.450 384 A HA 0.172 4.492 4.320 -0.000 0.000 0.255 384 A C -0.292 177.182 177.584 -0.183 0.000 1.096 384 A CA -0.402 51.636 52.037 0.003 0.000 0.778 384 A CB 0.259 19.254 19.000 -0.008 0.000 1.031 384 A HN 0.322 nan 8.150 nan 0.000 0.494 385 V N 5.868 125.628 119.914 -0.256 0.000 2.439 385 V HA 0.136 4.256 4.120 -0.000 0.000 0.271 385 V C -1.772 174.028 176.094 -0.491 0.000 1.040 385 V CA -0.880 61.063 62.300 -0.596 0.000 1.002 385 V CB 0.357 31.970 31.823 -0.350 0.000 1.000 385 V HN 0.825 nan 8.190 nan 0.000 0.477 386 P HA 0.021 nan 4.420 nan 0.000 0.264 386 P C 0.057 177.233 177.300 -0.207 0.000 1.179 386 P CA 0.351 63.266 63.100 -0.309 0.000 0.763 386 P CB 0.314 31.858 31.700 -0.260 0.000 0.806 387 S N 1.290 116.923 115.700 -0.112 0.000 2.572 387 S HA 0.375 4.845 4.470 -0.000 0.000 0.279 387 S C 1.513 176.085 174.600 -0.046 0.000 1.341 387 S CA 0.996 59.155 58.200 -0.068 0.000 1.043 387 S CB 0.099 63.275 63.200 -0.040 0.000 0.887 387 S HN 0.887 nan 8.310 nan 0.000 0.516 388 G N 2.322 111.106 108.800 -0.026 0.000 2.258 388 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.233 388 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.233 388 G C 0.238 175.149 174.900 0.019 0.000 1.006 388 G CA 0.098 45.198 45.100 0.000 0.000 0.620 388 G HN 0.748 nan 8.290 nan 0.000 0.511 389 T N 2.943 117.494 114.554 -0.005 0.000 2.853 389 T HA 0.497 4.847 4.350 -0.000 0.000 0.298 389 T C 0.820 175.591 174.700 0.118 0.000 0.978 389 T CA 0.664 62.793 62.100 0.047 0.000 1.152 389 T CB 1.285 70.105 68.868 -0.079 0.000 0.914 389 T HN 0.423 nan 8.240 nan 0.000 0.539 390 S N 2.637 118.463 115.700 0.210 0.000 2.584 390 S HA 0.489 4.959 4.470 -0.000 0.000 0.270 390 S C 0.824 175.683 174.600 0.431 0.000 1.346 390 S CA -0.818 57.563 58.200 0.301 0.000 1.018 390 S CB 0.589 63.978 63.200 0.316 0.000 0.899 390 S HN 0.935 nan 8.310 nan 0.000 0.542 391 T N -0.951 113.833 114.554 0.383 0.000 2.883 391 T HA 0.668 5.018 4.350 -0.000 0.000 0.301 391 T C -1.345 173.304 174.700 -0.084 0.000 1.158 391 T CA -0.734 61.508 62.100 0.237 0.000 1.007 391 T CB 1.174 70.118 68.868 0.126 0.000 1.186 391 T HN 0.398 nan 8.240 nan 0.000 0.499 392 F N 2.915 122.579 119.950 -0.477 0.000 2.513 392 F HA 0.500 5.026 4.527 -0.000 0.000 0.358 392 F C -0.784 174.980 175.800 -0.060 0.000 1.118 392 F CA -1.079 56.527 58.000 -0.657 0.000 1.037 392 F CB 0.351 38.616 39.000 -1.225 0.000 1.276 392 F HN 0.821 nan 8.300 nan 0.000 0.446 393 Y N 3.831 123.885 120.300 -0.410 0.000 3.589 393 Y HA -0.172 4.378 4.550 -0.000 0.000 0.218 393 Y C 1.424 177.267 175.900 -0.095 0.000 1.234 393 Y CA 1.094 59.030 58.100 -0.274 0.000 1.576 393 Y CB -1.305 36.927 38.460 -0.379 0.000 1.487 393 Y HN 1.077 nan 8.280 nan 0.000 0.616 394 G N -1.677 107.137 108.800 0.023 0.000 2.241 394 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.244 394 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.244 394 G C 0.347 175.322 174.900 0.124 0.000 0.998 394 G CA 0.125 45.266 45.100 0.068 0.000 0.621 394 G HN 0.375 nan 8.290 nan 0.000 0.519 395 M N 1.533 121.232 119.600 0.164 0.000 2.235 395 M HA 0.500 4.980 4.480 -0.000 0.000 0.351 395 M C 1.106 177.579 176.300 0.288 0.000 1.178 395 M CA 0.336 55.772 55.300 0.227 0.000 1.143 395 M CB 1.161 33.903 32.600 0.237 0.000 1.530 395 M HN 0.254 nan 8.290 nan 0.000 0.461 396 G N 1.540 110.563 108.800 0.372 0.000 2.444 396 G HA2 0.244 4.204 3.960 -0.000 0.000 0.268 396 G HA3 0.244 4.204 3.960 -0.000 0.000 0.268 396 G C -1.307 173.953 174.900 0.601 0.000 1.203 396 G CA -0.361 45.028 45.100 0.481 0.000 0.835 396 G HN 0.699 nan 8.290 nan 0.000 0.543 397 Y N 2.808 123.430 120.300 0.537 0.000 2.465 397 Y HA 0.376 4.926 4.550 -0.000 0.000 0.331 397 Y C 0.178 176.244 175.900 0.277 0.000 1.102 397 Y CA -0.534 57.831 58.100 0.441 0.000 1.358 397 Y CB 0.814 39.446 38.460 0.286 0.000 1.213 397 Y HN 0.449 nan 8.280 nan 0.000 0.525 398 V N 4.210 123.694 119.914 -0.716 0.000 2.487 398 V HA 0.368 4.488 4.120 -0.000 0.000 0.298 398 V C 0.653 176.105 176.094 -1.069 0.000 1.028 398 V CA -0.809 61.059 62.300 -0.720 0.000 0.860 398 V CB 1.655 33.194 31.823 -0.474 0.000 0.991 398 V HN 0.946 nan 8.190 nan 0.000 0.427 399 E N 3.323 123.032 120.200 -0.820 0.000 2.077 399 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 399 E C 0.257 176.598 176.600 -0.432 0.000 0.989 399 E CA 1.114 57.170 56.400 -0.573 0.000 0.800 399 E CB 0.248 29.830 29.700 -0.197 0.000 0.746 399 E HN 0.826 nan 8.360 nan 0.000 0.452 400 N N 1.289 119.793 118.700 -0.327 0.000 2.664 400 N HA 0.256 4.996 4.740 -0.000 0.000 0.257 400 N C -2.766 172.558 175.510 -0.311 0.000 1.108 400 N CA -1.208 51.710 53.050 -0.220 0.000 0.822 400 N CB 1.864 40.302 38.487 -0.080 0.000 1.199 400 N HN 0.000 nan 8.380 nan 0.000 0.529 401 P HA 0.025 nan 4.420 nan 0.000 0.266 401 P C 1.038 177.881 177.300 -0.763 0.000 1.195 401 P CA -0.026 62.775 63.100 -0.498 0.000 0.768 401 P CB 1.004 32.490 31.700 -0.358 0.000 0.838 402 V N 0.616 119.940 119.914 -0.982 0.000 0.439 402 V HA -0.320 3.800 4.120 -0.000 0.000 0.091 402 V C 0.265 175.753 176.094 -1.011 0.000 2.586 402 V CA 1.815 63.351 62.300 -1.272 0.000 3.733 402 V CB -2.310 28.259 31.823 -2.090 0.000 1.009 402 V HN 0.485 nan 8.190 nan 0.000 1.056 403 Y N -1.449 118.519 120.300 -0.554 0.000 2.446 403 Y HA 0.827 5.377 4.550 -0.000 0.000 0.345 403 Y C 0.415 176.191 175.900 -0.208 0.000 0.984 403 Y CA -1.041 56.852 58.100 -0.346 0.000 1.058 403 Y CB 1.922 40.190 38.460 -0.319 0.000 1.220 403 Y HN 0.059 nan 8.280 nan 0.000 0.455 404 A N 0.594 123.446 122.820 0.053 0.000 2.456 404 A HA 0.208 4.528 4.320 -0.000 0.000 0.237 404 A C -0.224 177.392 177.584 0.053 0.000 1.217 404 A CA 0.226 52.278 52.037 0.024 0.000 0.962 404 A CB 0.221 19.216 19.000 -0.009 0.000 1.079 404 A HN 0.540 nan 8.150 nan 0.000 0.536 405 D N 1.238 121.671 120.400 0.055 0.000 2.443 405 D HA 0.336 4.976 4.640 -0.000 0.000 0.281 405 D C -2.721 173.614 176.300 0.058 0.000 1.210 405 D CA -1.500 52.537 54.000 0.061 0.000 0.875 405 D CB 1.416 42.254 40.800 0.064 0.000 1.125 405 D HN 0.204 nan 8.370 nan 0.000 0.503 406 P HA 0.402 nan 4.420 nan 0.000 0.283 406 P C 0.488 177.858 177.300 0.117 0.000 1.278 406 P CA -0.519 62.643 63.100 0.102 0.000 0.834 406 P CB 0.961 32.734 31.700 0.121 0.000 1.150 407 G N 0.398 109.274 108.800 0.128 0.000 2.265 407 G HA2 0.080 4.040 3.960 -0.000 0.000 0.240 407 G HA3 0.080 4.040 3.960 -0.000 0.000 0.240 407 G C 1.287 176.305 174.900 0.197 0.000 1.270 407 G CA 0.219 45.398 45.100 0.131 0.000 0.901 407 G HN 0.539 nan 8.290 nan 0.000 0.507 408 S N 1.535 117.344 115.700 0.181 0.000 2.419 408 S HA -0.168 4.302 4.470 -0.000 0.000 0.235 408 S C 1.491 176.370 174.600 0.465 0.000 1.019 408 S CA 1.260 59.632 58.200 0.286 0.000 0.982 408 S CB -0.033 63.272 63.200 0.174 0.000 0.789 408 S HN 0.535 nan 8.310 nan 0.000 0.490 409 N N 1.268 120.231 118.700 0.438 0.000 2.458 409 N HA 0.201 4.941 4.740 -0.000 0.000 0.274 409 N C 0.629 176.467 175.510 0.547 0.000 1.242 409 N CA 0.469 53.836 53.050 0.529 0.000 0.904 409 N CB 0.364 39.030 38.487 0.298 0.000 1.206 409 N HN 0.584 nan 8.380 nan 0.000 0.510 410 T N -4.317 110.519 114.554 0.469 0.000 3.023 410 T HA 0.114 4.464 4.350 -0.000 0.000 0.253 410 T C 0.143 175.109 174.700 0.445 0.000 1.038 410 T CA -0.422 61.931 62.100 0.421 0.000 0.962 410 T CB -0.149 68.902 68.868 0.306 0.000 1.018 410 T HN 0.211 nan 8.240 nan 0.000 0.521 411 W N 2.150 123.609 121.300 0.266 0.000 2.335 411 W HA 0.547 5.207 4.660 -0.000 0.000 0.307 411 W C 0.555 177.236 176.519 0.270 0.000 1.117 411 W CA -3.274 54.205 57.345 0.224 0.000 1.228 411 W CB 0.515 30.066 29.460 0.151 0.000 1.240 411 W HN 0.068 nan 8.180 nan 0.000 0.468 412 F N 5.212 125.082 119.950 -0.133 0.000 2.192 412 F HA -0.100 4.427 4.527 -0.000 0.000 0.301 412 F C 1.959 177.440 175.800 -0.531 0.000 1.079 412 F CA 2.511 60.403 58.000 -0.181 0.000 1.303 412 F CB -0.720 38.209 39.000 -0.118 0.000 1.024 412 F HN 0.496 nan 8.300 nan 0.000 0.494 413 G N 0.907 108.639 108.800 -1.780 0.000 2.556 413 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.220 413 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.220 413 G C 1.593 175.638 174.900 -1.425 0.000 1.156 413 G CA 1.353 45.036 45.100 -2.361 0.000 0.766 413 G HN 0.330 nan 8.290 nan 0.000 0.583 414 M N 0.318 119.424 119.600 -0.823 0.000 2.202 414 M HA -0.084 4.396 4.480 -0.000 0.000 0.262 414 M C 2.634 178.877 176.300 -0.096 0.000 1.063 414 M CA 0.991 56.125 55.300 -0.277 0.000 1.097 414 M CB -1.096 31.523 32.600 0.032 0.000 1.382 414 M HN 0.254 nan 8.290 nan 0.000 0.413 415 Q N 0.135 119.911 119.800 -0.041 0.000 2.002 415 Q HA -0.117 4.223 4.340 -0.000 0.000 0.204 415 Q C 2.364 178.412 176.000 0.081 0.000 0.988 415 Q CA 2.115 58.064 55.803 0.243 0.000 0.843 415 Q CB -1.218 27.664 28.738 0.241 0.000 0.908 415 Q HN 0.615 nan 8.270 nan 0.000 0.420 416 V N -2.742 117.087 119.914 -0.142 0.000 2.379 416 V HA -0.133 3.987 4.120 -0.000 0.000 0.245 416 V C 2.035 178.247 176.094 0.196 0.000 1.044 416 V CA 1.337 63.683 62.300 0.078 0.000 1.036 416 V CB -1.117 30.770 31.823 0.106 0.000 0.664 416 V HN 0.176 nan 8.190 nan 0.000 0.453 417 W N 1.030 122.302 121.300 -0.046 0.000 2.335 417 W HA -0.083 4.577 4.660 -0.000 0.000 0.311 417 W C 3.232 179.745 176.519 -0.010 0.000 1.213 417 W CA 1.774 59.124 57.345 0.008 0.000 1.274 417 W CB -1.305 28.128 29.460 -0.045 0.000 1.148 417 W HN 0.376 nan 8.180 nan 0.000 0.498 418 S N -0.755 115.061 115.700 0.193 0.000 2.345 418 S HA -0.118 4.352 4.470 -0.000 0.000 0.219 418 S C 1.906 176.592 174.600 0.143 0.000 1.031 418 S CA 1.286 59.584 58.200 0.162 0.000 0.984 418 S CB -0.336 62.906 63.200 0.071 0.000 0.874 418 S HN -0.084 nan 8.310 nan 0.000 0.451 419 M N 1.596 121.183 119.600 -0.021 0.000 2.460 419 M HA 0.003 4.483 4.480 -0.000 0.000 0.263 419 M C 2.087 178.285 176.300 -0.169 0.000 1.071 419 M CA 0.934 56.050 55.300 -0.307 0.000 1.096 419 M CB -1.186 30.820 32.600 -0.989 0.000 1.408 419 M HN 0.445 nan 8.290 nan 0.000 0.463 420 Q N 1.099 120.900 119.800 0.001 0.000 2.230 420 Q HA -0.116 4.224 4.340 -0.000 0.000 0.202 420 Q C 1.784 177.793 176.000 0.015 0.000 0.963 420 Q CA 1.322 57.184 55.803 0.099 0.000 0.866 420 Q CB -0.026 28.860 28.738 0.247 0.000 0.931 420 Q HN 0.479 nan 8.270 nan 0.000 0.452 421 R N -0.739 119.763 120.500 0.004 0.000 2.115 421 R HA -0.004 4.336 4.340 -0.000 0.000 0.226 421 R C 2.364 178.650 176.300 -0.023 0.000 1.100 421 R CA 1.108 57.196 56.100 -0.019 0.000 0.980 421 R CB -0.047 30.291 30.300 0.063 0.000 0.875 421 R HN 0.047 nan 8.270 nan 0.000 0.445 422 V N 0.842 120.710 119.914 -0.077 0.000 2.667 422 V HA -0.135 3.985 4.120 -0.000 0.000 0.252 422 V C 2.251 178.339 176.094 -0.012 0.000 1.065 422 V CA 1.788 64.010 62.300 -0.130 0.000 1.083 422 V CB -0.435 31.173 31.823 -0.359 0.000 0.692 422 V HN 0.370 nan 8.190 nan 0.000 0.468 423 A N -0.411 122.420 122.820 0.017 0.000 1.930 423 A HA -0.129 4.191 4.320 -0.000 0.000 0.215 423 A C 2.198 179.831 177.584 0.083 0.000 1.176 423 A CA 1.223 53.365 52.037 0.175 0.000 0.632 423 A CB -0.314 18.831 19.000 0.242 0.000 0.819 423 A HN 0.547 nan 8.150 nan 0.000 0.445 424 E N -0.715 119.353 120.200 -0.221 0.000 2.150 424 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 424 E C 1.890 178.461 176.600 -0.048 0.000 0.985 424 E CA 1.070 57.180 56.400 -0.484 0.000 0.814 424 E CB -0.160 28.995 29.700 -0.908 0.000 0.752 424 E HN 0.507 nan 8.360 nan 0.000 0.466 425 L N 0.286 121.557 121.223 0.081 0.000 2.027 425 L HA -0.177 4.163 4.340 -0.000 0.000 0.206 425 L C 2.264 179.147 176.870 0.022 0.000 1.074 425 L CA 1.630 56.518 54.840 0.079 0.000 0.745 425 L CB -0.665 41.429 42.059 0.058 0.000 0.898 425 L HN 0.110 nan 8.230 nan 0.000 0.433 426 Y N -1.040 119.259 120.300 -0.000 0.000 2.224 426 Y HA -0.311 4.239 4.550 -0.000 0.000 0.289 426 Y C 2.485 178.431 175.900 0.075 0.000 1.146 426 Y CA 1.911 60.035 58.100 0.040 0.000 1.182 426 Y CB -0.841 37.692 38.460 0.122 0.000 0.983 426 Y HN 0.431 nan 8.280 nan 0.000 0.524 427 Y N 1.009 121.280 120.300 -0.049 0.000 2.181 427 Y HA -0.128 4.422 4.550 -0.000 0.000 0.288 427 Y C 2.064 177.918 175.900 -0.078 0.000 1.146 427 Y CA 2.070 60.118 58.100 -0.088 0.000 1.164 427 Y CB -0.297 38.267 38.460 0.174 0.000 0.982 427 Y HN -0.098 nan 8.280 nan 0.000 0.515 428 K N -0.587 119.683 120.400 -0.216 0.000 2.243 428 K HA 0.012 4.332 4.320 -0.000 0.000 0.201 428 K C 1.766 178.135 176.600 -0.385 0.000 1.051 428 K CA 1.517 57.600 56.287 -0.340 0.000 0.970 428 K CB -0.311 32.034 32.500 -0.259 0.000 0.755 428 K HN 0.594 nan 8.250 nan 0.000 0.465 429 T N -4.833 109.503 114.554 -0.362 0.000 2.975 429 T HA 0.194 4.543 4.350 -0.000 0.000 0.261 429 T C 1.224 175.842 174.700 -0.138 0.000 0.984 429 T CA 0.609 62.548 62.100 -0.268 0.000 0.911 429 T CB 0.539 69.198 68.868 -0.348 0.000 1.127 429 T HN 0.180 nan 8.240 nan 0.000 0.514 430 G N 2.292 111.006 108.800 -0.144 0.000 2.233 430 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.270 430 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.270 430 G C -0.177 174.827 174.900 0.173 0.000 1.011 430 G CA 0.360 45.434 45.100 -0.043 0.000 0.762 430 G HN 0.763 nan 8.290 nan 0.000 0.511 431 D N -0.069 120.421 120.400 0.149 0.000 2.525 431 D HA 0.312 4.952 4.640 -0.000 0.000 0.235 431 D C 1.645 178.043 176.300 0.163 0.000 1.137 431 D CA 0.653 54.726 54.000 0.122 0.000 0.868 431 D CB 0.784 41.623 40.800 0.065 0.000 1.180 431 D HN 0.395 nan 8.370 nan 0.000 0.465 432 A N 5.437 128.326 122.820 0.115 0.000 1.930 432 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 432 A C 2.165 179.784 177.584 0.059 0.000 1.175 432 A CA 1.129 53.224 52.037 0.097 0.000 0.627 432 A CB -0.091 18.962 19.000 0.089 0.000 0.815 432 A HN 0.701 nan 8.150 nan 0.000 0.443 433 R N -0.431 120.105 120.500 0.060 0.000 2.092 433 R HA -0.019 4.321 4.340 -0.000 0.000 0.231 433 R C 2.406 178.694 176.300 -0.021 0.000 1.119 433 R CA 1.162 57.289 56.100 0.045 0.000 0.970 433 R CB -0.407 29.938 30.300 0.074 0.000 0.864 433 R HN 0.499 nan 8.270 nan 0.000 0.440 434 A N 1.330 124.130 122.820 -0.034 0.000 1.897 434 A HA -0.158 4.161 4.320 -0.000 0.000 0.215 434 A C 2.032 179.469 177.584 -0.245 0.000 1.181 434 A CA 1.186 53.156 52.037 -0.111 0.000 0.620 434 A CB -0.304 18.687 19.000 -0.015 0.000 0.821 434 A HN 0.192 nan 8.150 nan 0.000 0.443 435 K N 0.110 120.325 120.400 -0.308 0.000 2.009 435 K HA -0.206 4.114 4.320 -0.000 0.000 0.210 435 K C 1.997 178.489 176.600 -0.180 0.000 1.049 435 K CA 1.890 57.890 56.287 -0.479 0.000 0.929 435 K CB -0.196 32.161 32.500 -0.238 0.000 0.714 435 K HN 0.434 nan 8.250 nan 0.000 0.440 436 K N 0.564 120.920 120.400 -0.073 0.000 2.063 436 K HA -0.137 4.182 4.320 -0.000 0.000 0.208 436 K C 2.173 178.751 176.600 -0.037 0.000 1.048 436 K CA 1.514 57.795 56.287 -0.011 0.000 0.928 436 K CB -0.149 32.369 32.500 0.029 0.000 0.713 436 K HN 0.135 nan 8.250 nan 0.000 0.442 437 L N 0.603 121.770 121.223 -0.094 0.000 2.027 437 L HA -0.186 4.154 4.340 -0.000 0.000 0.206 437 L C 2.285 179.117 176.870 -0.062 0.000 1.074 437 L CA 1.116 55.888 54.840 -0.113 0.000 0.745 437 L CB -0.323 41.620 42.059 -0.193 0.000 0.898 437 L HN 0.172 nan 8.230 nan 0.000 0.433 438 L N -0.751 120.394 121.223 -0.131 0.000 2.093 438 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 438 L C 2.208 178.969 176.870 -0.181 0.000 1.085 438 L CA 0.856 55.593 54.840 -0.172 0.000 0.755 438 L CB -0.566 41.318 42.059 -0.291 0.000 0.904 438 L HN 0.269 nan 8.230 nan 0.000 0.435 439 D N 0.117 120.492 120.400 -0.041 0.000 2.117 439 D HA -0.212 4.428 4.640 -0.000 0.000 0.197 439 D C 2.105 178.464 176.300 0.099 0.000 0.987 439 D CA 1.262 55.315 54.000 0.088 0.000 0.829 439 D CB 0.040 40.930 40.800 0.150 0.000 0.961 439 D HN 0.243 nan 8.370 nan 0.000 0.460 440 K N -0.738 119.729 120.400 0.112 0.000 2.076 440 K HA -0.109 4.211 4.320 -0.000 0.000 0.204 440 K C 2.096 178.823 176.600 0.212 0.000 1.051 440 K CA 0.452 56.830 56.287 0.152 0.000 0.949 440 K CB -0.066 32.524 32.500 0.150 0.000 0.726 440 K HN 0.104 nan 8.250 nan 0.000 0.443 441 W N 1.197 122.522 121.300 0.040 0.000 2.381 441 W HA -0.104 4.556 4.660 -0.000 0.000 0.301 441 W C 1.857 178.482 176.519 0.177 0.000 1.205 441 W CA 2.035 59.463 57.345 0.138 0.000 1.285 441 W CB -0.242 29.262 29.460 0.073 0.000 1.133 441 W HN 0.139 nan 8.180 nan 0.000 0.521 442 A N 0.248 123.190 122.820 0.203 0.000 1.933 442 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 442 A C 2.011 179.574 177.584 -0.036 0.000 1.175 442 A CA 1.892 53.924 52.037 -0.009 0.000 0.628 442 A CB -0.809 18.057 19.000 -0.223 0.000 0.814 442 A HN 0.366 nan 8.150 nan 0.000 0.444 443 K N -1.769 118.661 120.400 0.049 0.000 2.097 443 K HA -0.176 4.144 4.320 -0.000 0.000 0.205 443 K C 1.782 178.407 176.600 0.041 0.000 1.050 443 K CA 1.347 57.672 56.287 0.064 0.000 0.938 443 K CB -0.264 32.300 32.500 0.108 0.000 0.718 443 K HN 0.685 nan 8.250 nan 0.000 0.442 444 W N 1.421 122.634 121.300 -0.144 0.000 2.353 444 W HA -0.218 4.441 4.660 -0.000 0.000 0.319 444 W C 1.653 178.028 176.519 -0.242 0.000 1.207 444 W CA 1.130 58.368 57.345 -0.178 0.000 1.291 444 W CB -0.679 28.657 29.460 -0.208 0.000 1.159 444 W HN 0.060 nan 8.180 nan 0.000 0.478 445 I N 2.088 122.226 120.570 -0.720 0.000 2.361 445 I HA -0.297 3.872 4.170 -0.000 0.000 0.251 445 I C 1.813 177.602 176.117 -0.547 0.000 1.133 445 I CA 1.783 62.501 61.300 -0.970 0.000 1.413 445 I CB -0.867 36.576 38.000 -0.928 0.000 1.073 445 I HN 0.037 nan 8.210 nan 0.000 0.424 446 N N 0.661 119.171 118.700 -0.317 0.000 2.381 446 N HA -0.037 4.703 4.740 -0.000 0.000 0.182 446 N C 1.763 177.178 175.510 -0.158 0.000 1.025 446 N CA 1.253 54.204 53.050 -0.164 0.000 0.888 446 N CB -0.454 38.004 38.487 -0.048 0.000 0.965 446 N HN 0.534 nan 8.380 nan 0.000 0.438 447 G N -0.186 108.492 108.800 -0.204 0.000 2.880 447 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.209 447 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.209 447 G C 1.084 175.859 174.900 -0.208 0.000 1.157 447 G CA 0.051 45.059 45.100 -0.154 0.000 0.779 447 G HN 0.141 nan 8.290 nan 0.000 0.539 448 E N 0.065 120.062 120.200 -0.339 0.000 2.501 448 E HA 0.220 4.569 4.350 -0.000 0.000 0.201 448 E C 0.287 176.733 176.600 -0.256 0.000 1.016 448 E CA -0.209 56.001 56.400 -0.316 0.000 0.920 448 E CB 0.803 30.151 29.700 -0.587 0.000 1.023 448 E HN 0.402 nan 8.360 nan 0.000 0.474 449 I N 1.574 121.984 120.570 -0.266 0.000 2.353 449 I HA 0.165 4.335 4.170 -0.000 0.000 0.293 449 I C -0.054 175.868 176.117 -0.325 0.000 0.992 449 I CA -0.498 60.620 61.300 -0.303 0.000 1.268 449 I CB 0.889 38.708 38.000 -0.301 0.000 1.387 449 I HN -0.409 nan 8.210 nan 0.000 0.478 450 K N 5.878 126.047 120.400 -0.384 0.000 2.292 450 K HA 0.573 4.893 4.320 -0.000 0.000 0.257 450 K C -1.291 175.076 176.600 -0.390 0.000 0.940 450 K CA -0.224 55.877 56.287 -0.309 0.000 0.811 450 K CB 1.478 33.817 32.500 -0.268 0.000 1.120 450 K HN 0.210 nan 8.250 nan 0.000 0.428 451 F N 1.883 121.846 119.950 0.021 0.000 2.458 451 F HA 0.418 4.945 4.527 -0.000 0.000 0.336 451 F C 0.361 176.183 175.800 0.038 0.000 1.114 451 F CA -0.835 57.204 58.000 0.065 0.000 0.987 451 F CB 1.347 40.364 39.000 0.028 0.000 1.130 451 F HN 0.386 nan 8.300 nan 0.000 0.458 452 N N 1.427 120.266 118.700 0.232 0.000 2.489 452 N HA 0.382 5.122 4.740 -0.000 0.000 0.284 452 N C 0.763 176.343 175.510 0.118 0.000 1.158 452 N CA -0.122 53.001 53.050 0.123 0.000 0.965 452 N CB 1.758 40.288 38.487 0.072 0.000 1.195 452 N HN 0.693 nan 8.380 nan 0.000 0.506 453 A N 0.814 123.673 122.820 0.064 0.000 1.940 453 A HA -0.199 4.120 4.320 -0.000 0.000 0.219 453 A C 1.288 178.896 177.584 0.040 0.000 1.176 453 A CA 1.785 53.848 52.037 0.044 0.000 0.631 453 A CB -0.442 18.570 19.000 0.021 0.000 0.814 453 A HN 0.809 nan 8.150 nan 0.000 0.446 454 D N -1.893 118.528 120.400 0.035 0.000 2.352 454 D HA 0.223 4.863 4.640 -0.000 0.000 0.232 454 D C 1.181 177.504 176.300 0.038 0.000 1.055 454 D CA 1.090 55.102 54.000 0.019 0.000 0.891 454 D CB -0.466 40.331 40.800 -0.004 0.000 0.897 454 D HN 0.783 nan 8.370 nan 0.000 0.529 455 G N 0.480 109.335 108.800 0.093 0.000 2.241 455 G HA2 -0.315 3.644 3.960 -0.000 0.000 0.244 455 G HA3 -0.315 3.644 3.960 -0.000 0.000 0.244 455 G C 0.663 175.727 174.900 0.274 0.000 0.998 455 G CA 0.569 45.761 45.100 0.153 0.000 0.621 455 G HN 0.759 nan 8.290 nan 0.000 0.519 456 T N -0.514 114.162 114.554 0.202 0.000 2.698 456 T HA 0.676 5.026 4.350 -0.000 0.000 0.295 456 T C 0.142 175.057 174.700 0.358 0.000 1.007 456 T CA 0.625 62.884 62.100 0.264 0.000 0.980 456 T CB 1.401 70.320 68.868 0.086 0.000 1.036 456 T HN 1.724 nan 8.240 nan 0.000 0.526 457 F N -2.382 117.641 119.950 0.121 0.000 2.779 457 F HA 0.721 5.248 4.527 -0.000 0.000 0.316 457 F C -1.391 174.331 175.800 -0.130 0.000 1.164 457 F CA -1.345 56.610 58.000 -0.075 0.000 0.924 457 F CB 1.404 40.283 39.000 -0.201 0.000 1.348 457 F HN 0.665 nan 8.300 nan 0.000 0.467 458 Q N 1.730 121.509 119.800 -0.034 0.000 2.416 458 Q HA 0.815 5.155 4.340 -0.000 0.000 0.281 458 Q C -1.326 174.679 176.000 0.009 0.000 1.067 458 Q CA -1.092 54.665 55.803 -0.077 0.000 0.809 458 Q CB 3.609 32.281 28.738 -0.111 0.000 1.418 458 Q HN 0.818 nan 8.270 nan 0.000 0.411 459 I N -3.220 117.362 120.570 0.020 0.000 3.102 459 I HA 0.648 4.818 4.170 -0.000 0.000 0.310 459 I C -2.869 173.097 176.117 -0.252 0.000 1.246 459 I CA -3.062 58.162 61.300 -0.126 0.000 0.979 459 I CB 2.221 40.109 38.000 -0.188 0.000 1.267 459 I HN 0.281 nan 8.210 nan 0.000 0.451 460 P HA 0.066 nan 4.420 nan 0.000 0.266 460 P C -0.255 176.747 177.300 -0.497 0.000 1.193 460 P CA 0.334 62.941 63.100 -0.822 0.000 0.770 460 P CB 0.971 32.081 31.700 -0.982 0.000 0.836 461 S N 0.668 116.227 115.700 -0.234 0.000 3.313 461 S HA 0.145 4.615 4.470 -0.000 0.000 0.247 461 S C 0.195 174.903 174.600 0.180 0.000 1.058 461 S CA 0.435 58.668 58.200 0.054 0.000 0.794 461 S CB 0.085 63.318 63.200 0.056 0.000 0.842 461 S HN 0.427 nan 8.310 nan 0.000 0.526 462 T N 3.573 118.173 114.554 0.078 0.000 2.797 462 T HA 0.680 5.030 4.350 -0.000 0.000 0.279 462 T C -0.322 174.408 174.700 0.049 0.000 0.991 462 T CA -0.491 61.687 62.100 0.131 0.000 0.979 462 T CB 1.186 70.116 68.868 0.103 0.000 0.943 462 T HN 0.505 nan 8.240 nan 0.000 0.444 463 I N -0.212 120.420 120.570 0.104 0.000 2.957 463 I HA 0.926 5.096 4.170 -0.000 0.000 0.310 463 I C -1.115 174.972 176.117 -0.050 0.000 1.063 463 I CA -1.057 60.231 61.300 -0.020 0.000 1.033 463 I CB 2.531 40.520 38.000 -0.018 0.000 1.230 463 I HN 0.377 nan 8.210 nan 0.000 0.447 464 D N 1.140 121.383 120.400 -0.261 0.000 2.552 464 D HA 0.635 5.275 4.640 -0.000 0.000 0.239 464 D C -2.046 173.977 176.300 -0.462 0.000 1.139 464 D CA -0.167 53.736 54.000 -0.162 0.000 0.914 464 D CB 2.095 42.876 40.800 -0.031 0.000 1.461 464 D HN 0.569 nan 8.370 nan 0.000 0.462 465 W N 0.264 121.596 121.300 0.053 0.000 2.962 465 W HA 0.623 5.282 4.660 -0.000 0.000 0.341 465 W C -0.488 176.062 176.519 0.052 0.000 1.155 465 W CA -0.703 56.668 57.345 0.042 0.000 1.165 465 W CB 1.596 31.076 29.460 0.033 0.000 1.435 465 W HN 0.177 nan 8.180 nan 0.000 0.546 466 E N 0.584 120.970 120.200 0.309 0.000 2.321 466 E HA 0.532 4.882 4.350 -0.000 0.000 0.278 466 E C 0.168 176.856 176.600 0.148 0.000 0.902 466 E CA -0.037 56.486 56.400 0.206 0.000 0.758 466 E CB 1.999 31.811 29.700 0.186 0.000 1.213 466 E HN 0.727 nan 8.360 nan 0.000 0.426 467 G N 2.247 111.106 108.800 0.098 0.000 2.681 467 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.220 467 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.220 467 G C -0.942 173.913 174.900 -0.074 0.000 1.353 467 G CA 0.041 45.143 45.100 0.002 0.000 0.872 467 G HN 0.664 nan 8.290 nan 0.000 0.557 468 Q N -1.262 118.399 119.800 -0.231 0.000 2.482 468 Q HA 0.741 5.080 4.340 -0.000 0.000 0.286 468 Q C -3.004 172.661 176.000 -0.558 0.000 1.007 468 Q CA -1.876 53.583 55.803 -0.575 0.000 0.801 468 Q CB 2.916 31.418 28.738 -0.394 0.000 1.455 468 Q HN 0.646 nan 8.270 nan 0.000 0.398 469 P HA 0.063 nan 4.420 nan 0.000 0.274 469 P C -0.834 176.349 177.300 -0.195 0.000 1.246 469 P CA -0.079 62.687 63.100 -0.556 0.000 0.795 469 P CB 0.617 31.704 31.700 -1.020 0.000 1.006 470 D N 0.185 120.582 120.400 -0.005 0.000 2.339 470 D HA 0.091 4.730 4.640 -0.000 0.000 0.245 470 D C 0.244 176.781 176.300 0.396 0.000 1.115 470 D CA 0.376 54.457 54.000 0.134 0.000 0.917 470 D CB 0.162 41.020 40.800 0.096 0.000 1.192 470 D HN 0.234 nan 8.370 nan 0.000 0.428 471 T N 1.661 116.402 114.554 0.312 0.000 2.908 471 T HA -0.092 4.257 4.350 -0.000 0.000 0.301 471 T C 0.280 175.195 174.700 0.359 0.000 1.019 471 T CA -0.143 62.167 62.100 0.350 0.000 1.152 471 T CB 0.279 69.242 68.868 0.159 0.000 0.966 471 T HN 0.249 nan 8.240 nan 0.000 0.540 472 W N 5.156 126.505 121.300 0.083 0.000 2.469 472 W HA 0.114 4.774 4.660 -0.000 0.000 0.321 472 W C -0.024 176.418 176.519 -0.129 0.000 1.415 472 W CA -0.493 56.843 57.345 -0.015 0.000 1.308 472 W CB 0.151 29.450 29.460 -0.269 0.000 1.368 472 W HN 0.495 nan 8.180 nan 0.000 0.546 473 N N 7.920 126.249 118.700 -0.617 0.000 2.564 473 N HA 0.250 4.990 4.740 -0.000 0.000 0.248 473 N C -1.930 173.005 175.510 -0.958 0.000 0.986 473 N CA -2.300 50.386 53.050 -0.608 0.000 0.921 473 N CB 1.665 39.952 38.487 -0.334 0.000 1.136 473 N HN 0.087 nan 8.380 nan 0.000 0.509 474 P HA -0.166 nan 4.420 nan 0.000 0.217 474 P C 1.085 178.178 177.300 -0.346 0.000 1.148 474 P CA 1.752 64.497 63.100 -0.591 0.000 0.834 474 P CB 0.225 31.795 31.700 -0.217 0.000 0.783 475 T N -3.846 110.537 114.554 -0.285 0.000 2.896 475 T HA -0.123 4.227 4.350 -0.000 0.000 0.263 475 T C 1.993 176.589 174.700 -0.174 0.000 1.050 475 T CA 0.797 62.795 62.100 -0.171 0.000 1.140 475 T CB -0.822 67.968 68.868 -0.131 0.000 0.877 475 T HN 0.145 nan 8.240 nan 0.000 0.457 476 Q N 1.671 121.326 119.800 -0.240 0.000 2.020 476 Q HA 0.292 4.632 4.340 -0.000 0.000 0.198 476 Q C 1.399 177.286 176.000 -0.189 0.000 0.974 476 Q CA 1.358 57.047 55.803 -0.190 0.000 0.829 476 Q CB -0.513 28.108 28.738 -0.194 0.000 0.894 476 Q HN 0.781 nan 8.270 nan 0.000 0.433 477 G N -0.430 108.142 108.800 -0.379 0.000 2.482 477 G HA2 -0.335 3.624 3.960 -0.000 0.000 0.214 477 G HA3 -0.335 3.624 3.960 -0.000 0.000 0.214 477 G C -1.210 173.686 174.900 -0.006 0.000 1.271 477 G CA -0.159 44.776 45.100 -0.274 0.000 0.944 477 G HN 0.385 nan 8.290 nan 0.000 0.568 478 Y N 2.496 122.897 120.300 0.168 0.000 2.587 478 Y HA 0.426 4.976 4.550 -0.000 0.000 0.344 478 Y C 2.212 178.189 175.900 0.128 0.000 1.061 478 Y CA 0.910 59.171 58.100 0.269 0.000 1.370 478 Y CB 0.786 39.403 38.460 0.261 0.000 1.163 478 Y HN 0.964 nan 8.280 nan 0.000 0.527 479 T N 1.019 115.521 114.554 -0.086 0.000 3.023 479 T HA 0.183 4.533 4.350 -0.000 0.000 0.266 479 T C 1.498 175.929 174.700 -0.448 0.000 1.093 479 T CA 0.928 62.908 62.100 -0.199 0.000 1.129 479 T CB -0.293 68.522 68.868 -0.088 0.000 0.899 479 T HN 1.174 nan 8.240 nan 0.000 0.491 480 G N 1.424 109.589 108.800 -1.059 0.000 2.253 480 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.209 480 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.209 480 G C 0.218 174.783 174.900 -0.558 0.000 0.997 480 G CA -0.115 44.371 45.100 -1.023 0.000 0.640 480 G HN 0.559 nan 8.290 nan 0.000 0.496 481 N N -0.587 117.898 118.700 -0.359 0.000 2.688 481 N HA -0.204 4.536 4.740 -0.000 0.000 0.258 481 N C 1.399 176.793 175.510 -0.193 0.000 1.016 481 N CA 1.577 54.514 53.050 -0.189 0.000 0.747 481 N CB -1.296 37.131 38.487 -0.101 0.000 0.895 481 N HN 1.556 nan 8.380 nan 0.000 0.543 482 A N 0.116 122.839 122.820 -0.160 0.000 2.070 482 A HA -0.104 4.216 4.320 -0.000 0.000 0.220 482 A C 1.676 179.152 177.584 -0.181 0.000 1.159 482 A CA 1.068 53.039 52.037 -0.110 0.000 0.656 482 A CB 0.055 19.026 19.000 -0.049 0.000 0.800 482 A HN 0.459 nan 8.150 nan 0.000 0.453 483 N N -0.805 117.758 118.700 -0.229 0.000 2.235 483 N HA 0.150 4.890 4.740 -0.000 0.000 0.209 483 N C -0.600 174.648 175.510 -0.436 0.000 1.122 483 N CA 0.049 52.949 53.050 -0.251 0.000 0.845 483 N CB 0.639 39.061 38.487 -0.107 0.000 1.004 483 N HN 0.389 nan 8.380 nan 0.000 0.499 484 L N 2.025 122.908 121.223 -0.566 0.000 2.298 484 L HA 0.345 4.685 4.340 -0.000 0.000 0.284 484 L C -0.978 175.595 176.870 -0.496 0.000 1.013 484 L CA -0.522 54.062 54.840 -0.427 0.000 0.824 484 L CB 0.518 42.385 42.059 -0.319 0.000 1.221 484 L HN 0.058 nan 8.230 nan 0.000 0.418 485 H N 3.493 122.597 119.070 0.057 0.000 2.679 485 H HA 0.580 5.136 4.556 -0.000 0.000 0.367 485 H C -0.979 174.312 175.328 -0.063 0.000 1.162 485 H CA -0.735 55.312 56.048 -0.002 0.000 1.181 485 H CB 2.562 32.308 29.762 -0.027 0.000 1.693 485 H HN 0.424 nan 8.280 nan 0.000 0.538 486 V N 2.400 122.203 119.914 -0.186 0.000 2.513 486 V HA 0.365 4.485 4.120 -0.000 0.000 0.299 486 V C -0.914 174.962 176.094 -0.363 0.000 1.035 486 V CA -0.620 61.266 62.300 -0.691 0.000 0.889 486 V CB 1.356 32.535 31.823 -1.072 0.000 0.988 486 V HN 0.585 nan 8.190 nan 0.000 0.440 487 K N 5.301 125.473 120.400 -0.378 0.000 2.345 487 K HA 0.531 4.851 4.320 -0.000 0.000 0.255 487 K C -1.332 175.164 176.600 -0.174 0.000 0.934 487 K CA -0.671 55.508 56.287 -0.179 0.000 0.801 487 K CB 2.284 34.713 32.500 -0.118 0.000 1.137 487 K HN 0.469 nan 8.250 nan 0.000 0.424 488 V N 3.583 123.435 119.914 -0.103 0.000 2.368 488 V HA 0.021 4.141 4.120 -0.000 0.000 0.266 488 V C 1.556 177.557 176.094 -0.155 0.000 1.045 488 V CA -0.311 61.888 62.300 -0.169 0.000 0.899 488 V CB 0.929 32.589 31.823 -0.272 0.000 1.006 488 V HN 0.592 nan 8.190 nan 0.000 0.470 489 V N 4.441 124.277 119.914 -0.129 0.000 2.270 489 V HA -0.061 4.058 4.120 -0.000 0.000 0.245 489 V C 0.764 176.817 176.094 -0.069 0.000 1.043 489 V CA 1.925 64.186 62.300 -0.065 0.000 1.014 489 V CB -0.549 31.262 31.823 -0.021 0.000 0.645 489 V HN 1.135 nan 8.190 nan 0.000 0.447 490 N N -2.656 115.959 118.700 -0.142 0.000 2.710 490 N HA 0.385 5.125 4.740 -0.000 0.000 0.257 490 N C -1.431 173.929 175.510 -0.250 0.000 1.327 490 N CA -0.840 52.156 53.050 -0.090 0.000 0.861 490 N CB 0.913 39.407 38.487 0.012 0.000 1.532 490 N HN 0.048 nan 8.380 nan 0.000 0.499 491 Y N -0.738 119.522 120.300 -0.066 0.000 2.545 491 Y HA 0.911 5.461 4.550 -0.000 0.000 0.324 491 Y C 1.276 177.126 175.900 -0.083 0.000 1.220 491 Y CA 0.026 58.063 58.100 -0.104 0.000 1.290 491 Y CB 1.586 39.965 38.460 -0.135 0.000 1.355 491 Y HN 0.953 nan 8.280 nan 0.000 0.516 492 G N -1.135 107.699 108.800 0.057 0.000 2.561 492 G HA2 0.443 4.403 3.960 -0.000 0.000 0.310 492 G HA3 0.443 4.403 3.960 -0.000 0.000 0.310 492 G C -1.433 173.402 174.900 -0.108 0.000 1.292 492 G CA -0.877 44.212 45.100 -0.018 0.000 0.811 492 G HN 0.350 nan 8.290 nan 0.000 0.482 493 T N 1.335 115.786 114.554 -0.173 0.000 3.514 493 T HA 0.280 4.630 4.350 -0.000 0.000 0.259 493 T C -0.798 173.753 174.700 -0.248 0.000 1.466 493 T CA -0.362 61.517 62.100 -0.367 0.000 1.562 493 T CB 0.341 68.888 68.868 -0.535 0.000 0.924 493 T HN 0.438 nan 8.240 nan 0.000 0.678 494 D N 2.211 122.572 120.400 -0.065 0.000 2.344 494 D HA 0.131 4.771 4.640 -0.000 0.000 0.253 494 D C 1.319 177.629 176.300 0.017 0.000 1.255 494 D CA -0.215 53.797 54.000 0.020 0.000 0.894 494 D CB 0.728 41.643 40.800 0.191 0.000 1.067 494 D HN 0.362 nan 8.370 nan 0.000 0.492 495 L N 3.170 124.331 121.223 -0.103 0.000 2.131 495 L HA -0.073 4.267 4.340 -0.000 0.000 0.210 495 L C 2.435 179.300 176.870 -0.008 0.000 1.092 495 L CA 1.114 55.891 54.840 -0.104 0.000 0.759 495 L CB -0.289 41.617 42.059 -0.255 0.000 0.903 495 L HN 0.436 nan 8.230 nan 0.000 0.435 496 G N -0.639 108.126 108.800 -0.058 0.000 2.394 496 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.214 496 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.214 496 G C 1.572 176.699 174.900 0.377 0.000 1.176 496 G CA 0.827 45.921 45.100 -0.009 0.000 0.786 496 G HN 0.399 nan 8.290 nan 0.000 0.533 497 C N 1.050 120.571 119.300 0.369 0.000 2.435 497 C HA 0.269 4.729 4.460 -0.000 0.000 0.279 497 C C 3.495 178.696 174.990 0.352 0.000 1.321 497 C CA 0.549 59.773 59.018 0.344 0.000 1.752 497 C CB -0.871 27.058 27.740 0.314 0.000 1.959 497 C HN 0.549 nan 8.230 nan 0.000 0.500 498 A N 0.729 123.731 122.820 0.302 0.000 1.902 498 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 498 A C 2.281 180.019 177.584 0.257 0.000 1.181 498 A CA 2.250 54.450 52.037 0.272 0.000 0.623 498 A CB -0.756 18.436 19.000 0.320 0.000 0.818 498 A HN 0.536 nan 8.150 nan 0.000 0.443 499 S N -0.477 115.400 115.700 0.296 0.000 2.356 499 S HA -0.139 4.331 4.470 -0.000 0.000 0.223 499 S C 2.310 177.112 174.600 0.336 0.000 1.032 499 S CA 1.455 59.856 58.200 0.335 0.000 1.005 499 S CB -0.389 63.045 63.200 0.391 0.000 0.867 499 S HN 0.670 nan 8.310 nan 0.000 0.449 500 S N 1.002 116.952 115.700 0.418 0.000 2.399 500 S HA -0.060 4.410 4.470 -0.000 0.000 0.231 500 S C 1.795 176.630 174.600 0.392 0.000 1.022 500 S CA 0.806 59.288 58.200 0.470 0.000 0.983 500 S CB -0.360 63.210 63.200 0.617 0.000 0.803 500 S HN 0.347 nan 8.310 nan 0.000 0.480 501 L N 1.800 123.240 121.223 0.361 0.000 2.044 501 L HA 0.218 4.558 4.340 -0.000 0.000 0.205 501 L C 2.508 179.556 176.870 0.296 0.000 1.075 501 L CA 2.029 57.087 54.840 0.363 0.000 0.747 501 L CB -1.342 40.922 42.059 0.340 0.000 0.903 501 L HN 0.282 nan 8.230 nan 0.000 0.435 502 A N -0.185 122.773 122.820 0.230 0.000 1.908 502 A HA -0.296 4.024 4.320 -0.000 0.000 0.218 502 A C 2.269 179.972 177.584 0.198 0.000 1.181 502 A CA 1.999 54.137 52.037 0.168 0.000 0.627 502 A CB -1.066 18.003 19.000 0.115 0.000 0.818 502 A HN 0.649 nan 8.150 nan 0.000 0.445 503 N N -0.325 118.512 118.700 0.228 0.000 2.043 503 N HA -0.142 4.598 4.740 -0.000 0.000 0.193 503 N C 1.754 177.470 175.510 0.343 0.000 1.037 503 N CA 2.286 55.484 53.050 0.246 0.000 0.851 503 N CB -0.625 38.029 38.487 0.277 0.000 1.027 503 N HN 0.451 nan 8.380 nan 0.000 0.422 504 T N 1.962 116.735 114.554 0.365 0.000 2.684 504 T HA -0.064 4.286 4.350 -0.000 0.000 0.267 504 T C 2.078 177.032 174.700 0.423 0.000 1.036 504 T CA 1.050 63.380 62.100 0.384 0.000 1.148 504 T CB -0.284 68.809 68.868 0.375 0.000 0.863 504 T HN 0.198 nan 8.240 nan 0.000 0.436 505 L N 0.728 122.186 121.223 0.391 0.000 2.141 505 L HA -0.098 4.242 4.340 -0.000 0.000 0.209 505 L C 2.855 179.946 176.870 0.368 0.000 1.094 505 L CA 1.040 56.118 54.840 0.397 0.000 0.763 505 L CB -0.995 41.241 42.059 0.295 0.000 0.908 505 L HN 0.319 nan 8.230 nan 0.000 0.437 506 T N -1.441 113.284 114.554 0.284 0.000 2.737 506 T HA -0.188 4.162 4.350 -0.000 0.000 0.265 506 T C 1.738 176.544 174.700 0.176 0.000 1.038 506 T CA 1.308 63.546 62.100 0.231 0.000 1.144 506 T CB -0.348 68.590 68.868 0.117 0.000 0.866 506 T HN 0.164 nan 8.240 nan 0.000 0.434 507 Y N 0.180 120.562 120.300 0.136 0.000 2.145 507 Y HA -0.128 4.422 4.550 -0.000 0.000 0.286 507 Y C 2.363 178.397 175.900 0.223 0.000 1.145 507 Y CA 1.039 59.158 58.100 0.030 0.000 1.148 507 Y CB -0.707 37.775 38.460 0.037 0.000 0.981 507 Y HN 0.263 nan 8.280 nan 0.000 0.507 508 Y N 0.117 120.655 120.300 0.396 0.000 2.145 508 Y HA -0.263 4.286 4.550 -0.000 0.000 0.286 508 Y C 2.383 178.507 175.900 0.373 0.000 1.145 508 Y CA 1.392 59.749 58.100 0.428 0.000 1.148 508 Y CB -0.830 37.853 38.460 0.371 0.000 0.981 508 Y HN 0.038 nan 8.280 nan 0.000 0.507 509 A N 0.715 123.647 122.820 0.186 0.000 1.902 509 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 509 A C 2.421 180.106 177.584 0.169 0.000 1.181 509 A CA 1.856 53.948 52.037 0.092 0.000 0.623 509 A CB -1.550 17.584 19.000 0.222 0.000 0.818 509 A HN 0.646 nan 8.150 nan 0.000 0.443 510 A N -0.882 122.067 122.820 0.214 0.000 2.076 510 A HA -0.136 4.184 4.320 -0.000 0.000 0.220 510 A C 2.030 179.631 177.584 0.028 0.000 1.160 510 A CA 2.320 54.341 52.037 -0.027 0.000 0.653 510 A CB -0.268 18.547 19.000 -0.309 0.000 0.801 510 A HN 0.462 nan 8.150 nan 0.000 0.455 511 K N -0.403 120.030 120.400 0.056 0.000 2.287 511 K HA 0.040 4.360 4.320 -0.000 0.000 0.199 511 K C 2.001 178.553 176.600 -0.079 0.000 1.061 511 K CA 1.322 57.567 56.287 -0.069 0.000 0.976 511 K CB 0.005 32.307 32.500 -0.329 0.000 0.898 511 K HN 0.446 nan 8.250 nan 0.000 0.492 512 S N -1.580 114.083 115.700 -0.062 0.000 2.492 512 S HA 0.230 4.700 4.470 -0.000 0.000 0.218 512 S C 1.488 176.061 174.600 -0.045 0.000 1.016 512 S CA 0.395 58.565 58.200 -0.050 0.000 0.916 512 S CB 0.332 63.383 63.200 -0.248 0.000 0.791 512 S HN 0.445 nan 8.310 nan 0.000 0.513 513 G N 1.392 110.171 108.800 -0.034 0.000 2.176 513 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.253 513 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.253 513 G C -0.198 174.716 174.900 0.024 0.000 0.979 513 G CA 0.100 45.215 45.100 0.025 0.000 0.641 513 G HN 0.662 nan 8.290 nan 0.000 0.530 514 D N 0.826 121.211 120.400 -0.025 0.000 2.376 514 D HA 0.296 4.936 4.640 -0.000 0.000 0.278 514 D C 1.687 178.027 176.300 0.066 0.000 1.384 514 D CA 0.107 54.132 54.000 0.043 0.000 1.033 514 D CB 0.353 41.215 40.800 0.102 0.000 1.102 514 D HN 0.192 nan 8.370 nan 0.000 0.530 515 E N 1.815 122.045 120.200 0.051 0.000 2.130 515 E HA -0.175 4.175 4.350 -0.000 0.000 0.196 515 E C 1.581 178.196 176.600 0.025 0.000 0.998 515 E CA 1.163 57.579 56.400 0.026 0.000 0.806 515 E CB -0.029 29.684 29.700 0.020 0.000 0.738 515 E HN 0.571 nan 8.360 nan 0.000 0.459 516 T N 0.240 114.829 114.554 0.057 0.000 2.720 516 T HA -0.111 4.239 4.350 -0.000 0.000 0.268 516 T C 2.125 176.874 174.700 0.081 0.000 1.037 516 T CA 1.523 63.660 62.100 0.062 0.000 1.144 516 T CB -0.255 68.661 68.868 0.080 0.000 0.864 516 T HN 0.062 nan 8.240 nan 0.000 0.444 517 S N 0.505 116.290 115.700 0.141 0.000 2.368 517 S HA -0.063 4.407 4.470 -0.000 0.000 0.225 517 S C 2.117 176.781 174.600 0.106 0.000 1.030 517 S CA 0.860 59.176 58.200 0.193 0.000 0.999 517 S CB -0.216 63.212 63.200 0.380 0.000 0.844 517 S HN 0.386 nan 8.310 nan 0.000 0.459 518 R N 1.279 121.794 120.500 0.025 0.000 2.070 518 R HA -0.159 4.181 4.340 -0.000 0.000 0.233 518 R C 2.618 178.847 176.300 -0.118 0.000 1.137 518 R CA 1.807 57.832 56.100 -0.124 0.000 0.945 518 R CB -0.359 29.756 30.300 -0.309 0.000 0.845 518 R HN 0.644 nan 8.270 nan 0.000 0.430 519 Q N -0.374 119.371 119.800 -0.091 0.000 2.170 519 Q HA -0.132 4.208 4.340 -0.000 0.000 0.203 519 Q C 1.417 177.351 176.000 -0.110 0.000 0.976 519 Q CA 1.428 57.166 55.803 -0.110 0.000 0.858 519 Q CB -0.268 28.416 28.738 -0.090 0.000 0.907 519 Q HN 0.236 nan 8.270 nan 0.000 0.433 520 N N 1.501 120.185 118.700 -0.028 0.000 2.106 520 N HA -0.047 4.693 4.740 -0.000 0.000 0.188 520 N C 1.836 177.361 175.510 0.026 0.000 1.029 520 N CA 1.605 54.685 53.050 0.050 0.000 0.848 520 N CB -0.520 38.037 38.487 0.116 0.000 1.007 520 N HN 0.433 nan 8.380 nan 0.000 0.423 521 A N 0.765 123.587 122.820 0.004 0.000 1.940 521 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 521 A C 2.126 179.598 177.584 -0.187 0.000 1.176 521 A CA 1.533 53.558 52.037 -0.020 0.000 0.631 521 A CB -0.608 18.421 19.000 0.049 0.000 0.814 521 A HN 0.386 nan 8.150 nan 0.000 0.446 522 Q N -0.514 119.098 119.800 -0.313 0.000 2.187 522 Q HA -0.114 4.226 4.340 -0.000 0.000 0.199 522 Q C 1.890 177.719 176.000 -0.286 0.000 0.957 522 Q CA 1.343 56.824 55.803 -0.536 0.000 0.857 522 Q CB -0.050 28.339 28.738 -0.582 0.000 0.929 522 Q HN 0.700 nan 8.270 nan 0.000 0.453 523 K N 0.168 120.426 120.400 -0.237 0.000 2.097 523 K HA -0.088 4.232 4.320 -0.000 0.000 0.205 523 K C 2.167 178.697 176.600 -0.117 0.000 1.050 523 K CA 0.911 57.019 56.287 -0.298 0.000 0.938 523 K CB -0.009 32.061 32.500 -0.716 0.000 0.718 523 K HN 0.209 nan 8.250 nan 0.000 0.442 524 L N 0.825 122.033 121.223 -0.024 0.000 1.994 524 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 524 L C 2.329 179.189 176.870 -0.017 0.000 1.071 524 L CA 1.261 56.032 54.840 -0.115 0.000 0.745 524 L CB -0.427 41.556 42.059 -0.127 0.000 0.892 524 L HN 0.195 nan 8.230 nan 0.000 0.431 525 L N -0.608 120.631 121.223 0.028 0.000 2.046 525 L HA -0.244 4.096 4.340 -0.000 0.000 0.208 525 L C 2.252 179.307 176.870 0.308 0.000 1.077 525 L CA 1.120 56.075 54.840 0.192 0.000 0.747 525 L CB -0.621 41.411 42.059 -0.045 0.000 0.896 525 L HN 0.296 nan 8.230 nan 0.000 0.432 526 D N 0.100 120.602 120.400 0.171 0.000 2.097 526 D HA -0.134 4.506 4.640 -0.000 0.000 0.197 526 D C 2.253 178.724 176.300 0.286 0.000 0.984 526 D CA 1.464 55.597 54.000 0.222 0.000 0.826 526 D CB -0.109 40.745 40.800 0.090 0.000 0.973 526 D HN 0.287 nan 8.370 nan 0.000 0.460 527 A N 0.975 123.935 122.820 0.234 0.000 1.883 527 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 527 A C 2.291 180.180 177.584 0.509 0.000 1.186 527 A CA 1.756 54.006 52.037 0.356 0.000 0.624 527 A CB -0.631 18.606 19.000 0.395 0.000 0.822 527 A HN 0.168 nan 8.150 nan 0.000 0.444 528 M N -1.921 117.959 119.600 0.466 0.000 2.117 528 M HA -0.144 4.335 4.480 -0.000 0.000 0.262 528 M C 2.298 178.806 176.300 0.347 0.000 1.065 528 M CA 1.537 57.078 55.300 0.403 0.000 1.114 528 M CB -0.418 32.225 32.600 0.071 0.000 1.361 528 M HN 0.813 nan 8.290 nan 0.000 0.408 529 W N 2.161 123.650 121.300 0.315 0.000 2.355 529 W HA -0.189 4.471 4.660 -0.000 0.000 0.309 529 W C 1.697 178.318 176.519 0.171 0.000 1.206 529 W CA 1.597 59.124 57.345 0.304 0.000 1.284 529 W CB -0.441 29.208 29.460 0.315 0.000 1.145 529 W HN 0.295 nan 8.180 nan 0.000 0.502 530 N N 0.552 119.410 118.700 0.264 0.000 2.171 530 N HA -0.139 4.600 4.740 -0.000 0.000 0.184 530 N C 0.942 176.431 175.510 -0.036 0.000 1.021 530 N CA 1.422 54.523 53.050 0.085 0.000 0.854 530 N CB -0.717 37.868 38.487 0.163 0.000 0.994 530 N HN 0.251 nan 8.380 nan 0.000 0.426 531 N N -0.584 118.110 118.700 -0.009 0.000 2.205 531 N HA 0.050 4.790 4.740 -0.000 0.000 0.201 531 N C 0.052 175.243 175.510 -0.532 0.000 1.128 531 N CA 0.197 53.086 53.050 -0.270 0.000 0.867 531 N CB 0.213 38.485 38.487 -0.359 0.000 0.996 531 N HN 0.329 nan 8.380 nan 0.000 0.503 532 Y N -0.122 120.128 120.300 -0.083 0.000 2.675 532 Y HA 0.359 4.909 4.550 -0.000 0.000 0.248 532 Y C 0.519 176.313 175.900 -0.176 0.000 1.161 532 Y CA -0.496 57.528 58.100 -0.127 0.000 1.203 532 Y CB 0.392 38.775 38.460 -0.130 0.000 1.262 532 Y HN -0.216 nan 8.280 nan 0.000 0.544 533 S N 1.757 117.384 115.700 -0.122 0.000 2.585 533 S HA 0.320 4.790 4.470 -0.000 0.000 0.273 533 S C -0.167 174.358 174.600 -0.126 0.000 1.339 533 S CA -0.194 57.890 58.200 -0.193 0.000 1.028 533 S CB 0.564 63.504 63.200 -0.434 0.000 0.906 533 S HN 0.512 nan 8.310 nan 0.000 0.528 534 D N -0.908 119.448 120.400 -0.074 0.000 2.759 534 D HA 0.288 4.928 4.640 -0.000 0.000 0.321 534 D C 0.655 176.942 176.300 -0.021 0.000 1.267 534 D CA -0.682 53.300 54.000 -0.030 0.000 0.933 534 D CB 0.296 41.122 40.800 0.044 0.000 1.431 534 D HN 0.268 nan 8.370 nan 0.000 0.504 535 S N -1.190 114.500 115.700 -0.018 0.000 2.400 535 S HA -0.140 4.330 4.470 -0.000 0.000 0.232 535 S C 1.037 175.629 174.600 -0.013 0.000 1.025 535 S CA 1.373 59.559 58.200 -0.024 0.000 0.993 535 S CB -0.334 62.845 63.200 -0.035 0.000 0.808 535 S HN 0.433 nan 8.310 nan 0.000 0.478 536 K N -0.127 120.258 120.400 -0.025 0.000 2.358 536 K HA 0.370 4.690 4.320 -0.000 0.000 0.197 536 K C 1.000 177.703 176.600 0.171 0.000 1.025 536 K CA 0.289 56.562 56.287 -0.023 0.000 1.104 536 K CB 0.877 33.144 32.500 -0.388 0.000 0.855 536 K HN 0.423 nan 8.250 nan 0.000 0.531 537 G N 1.774 110.664 108.800 0.152 0.000 1.930 537 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.054 537 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.054 537 G C -1.228 173.728 174.900 0.093 0.000 0.902 537 G CA -0.393 44.809 45.100 0.171 0.000 1.168 537 G HN 0.171 nan 8.290 nan 0.000 0.383 538 I N -1.013 119.595 120.570 0.064 0.000 2.969 538 I HA 0.910 5.080 4.170 -0.000 0.000 0.307 538 I C -0.188 175.873 176.117 -0.093 0.000 1.149 538 I CA -0.367 60.888 61.300 -0.074 0.000 1.008 538 I CB 2.319 40.124 38.000 -0.326 0.000 1.232 538 I HN 1.474 nan 8.210 nan 0.000 0.435 539 S N 1.726 117.372 115.700 -0.091 0.000 2.656 539 S HA 0.767 5.237 4.470 -0.000 0.000 0.265 539 S C -0.834 173.753 174.600 -0.023 0.000 1.132 539 S CA -0.453 57.642 58.200 -0.175 0.000 0.819 539 S CB 1.811 64.801 63.200 -0.350 0.000 1.119 539 S HN 1.142 nan 8.310 nan 0.000 0.476 540 T N -0.242 114.268 114.554 -0.073 0.000 2.830 540 T HA 0.531 4.881 4.350 -0.000 0.000 0.322 540 T C -1.690 172.976 174.700 -0.057 0.000 1.501 540 T CA -0.416 61.690 62.100 0.011 0.000 1.036 540 T CB 1.424 70.322 68.868 0.050 0.000 1.379 540 T HN 1.028 nan 8.240 nan 0.000 0.493 541 V N 3.899 123.789 119.914 -0.040 0.000 2.583 541 V HA 0.550 4.670 4.120 -0.000 0.000 0.287 541 V C 0.282 176.341 176.094 -0.059 0.000 1.051 541 V CA -0.073 62.195 62.300 -0.053 0.000 1.010 541 V CB 0.915 32.711 31.823 -0.044 0.000 0.988 541 V HN 0.904 nan 8.190 nan 0.000 0.478 542 E N 3.648 123.808 120.200 -0.068 0.000 2.367 542 E HA 0.548 4.897 4.350 -0.000 0.000 0.273 542 E C -1.332 175.220 176.600 -0.080 0.000 0.903 542 E CA -1.074 55.284 56.400 -0.069 0.000 0.764 542 E CB 1.876 31.534 29.700 -0.070 0.000 1.252 542 E HN 0.586 nan 8.360 nan 0.000 0.446 543 Q N 0.966 120.719 119.800 -0.077 0.000 2.259 543 Q HA 0.315 4.655 4.340 -0.000 0.000 0.249 543 Q C -0.458 175.450 176.000 -0.154 0.000 0.914 543 Q CA -0.762 54.983 55.803 -0.097 0.000 0.904 543 Q CB 1.140 29.839 28.738 -0.064 0.000 1.213 543 Q HN 0.273 nan 8.270 nan 0.000 0.428 544 R N 1.699 122.047 120.500 -0.254 0.000 2.937 544 R HA 0.166 4.506 4.340 -0.000 0.000 0.264 544 R C 0.825 176.955 176.300 -0.284 0.000 1.334 544 R CA -0.272 55.532 56.100 -0.492 0.000 1.516 544 R CB 0.178 29.740 30.300 -1.230 0.000 1.187 544 R HN 0.899 nan 8.270 nan 0.000 0.609 545 G N 0.371 109.106 108.800 -0.109 0.000 2.586 545 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.215 545 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.215 545 G C 0.485 175.435 174.900 0.083 0.000 1.128 545 G CA 0.380 45.484 45.100 0.007 0.000 0.774 545 G HN 0.309 nan 8.290 nan 0.000 0.543 546 D N -1.394 119.027 120.400 0.035 0.000 2.433 546 D HA 0.095 4.735 4.640 -0.000 0.000 0.211 546 D C 1.076 177.173 176.300 -0.339 0.000 1.114 546 D CA -0.396 53.518 54.000 -0.143 0.000 0.837 546 D CB 0.124 40.942 40.800 0.030 0.000 0.984 546 D HN 0.200 nan 8.370 nan 0.000 0.505 547 Y N 1.568 121.766 120.300 -0.169 0.000 2.569 547 Y HA -0.152 4.397 4.550 -0.000 0.000 0.293 547 Y C 2.292 178.089 175.900 -0.173 0.000 1.144 547 Y CA 0.474 58.552 58.100 -0.037 0.000 1.321 547 Y CB -0.849 37.745 38.460 0.224 0.000 0.982 547 Y HN 0.389 nan 8.280 nan 0.000 0.558 548 H N -1.009 118.020 119.070 -0.069 0.000 2.521 548 H HA 0.017 4.573 4.556 -0.000 0.000 0.286 548 H C 1.559 176.745 175.328 -0.235 0.000 1.034 548 H CA 0.855 56.839 56.048 -0.108 0.000 1.278 548 H CB -0.273 29.429 29.762 -0.100 0.000 1.386 548 H HN 0.284 nan 8.280 nan 0.000 0.567 549 R N -0.393 119.484 120.500 -1.039 0.000 2.285 549 R HA -0.030 4.310 4.340 -0.000 0.000 0.213 549 R C 1.621 177.508 176.300 -0.688 0.000 1.068 549 R CA 0.571 56.054 56.100 -1.030 0.000 1.004 549 R CB -0.320 28.858 30.300 -1.869 0.000 0.873 549 R HN 0.181 nan 8.270 nan 0.000 0.467 550 F N 0.942 120.503 119.950 -0.648 0.000 2.126 550 F HA -0.174 4.353 4.527 -0.000 0.000 0.299 550 F C 1.955 177.856 175.800 0.168 0.000 1.096 550 F CA 1.547 59.478 58.000 -0.115 0.000 1.255 550 F CB 0.053 39.014 39.000 -0.064 0.000 0.997 550 F HN -0.059 nan 8.300 nan 0.000 0.479 551 L N -1.146 120.234 121.223 0.262 0.000 2.425 551 L HA 0.054 4.394 4.340 -0.000 0.000 0.215 551 L C 1.436 178.399 176.870 0.155 0.000 1.065 551 L CA 0.801 55.780 54.840 0.231 0.000 0.842 551 L CB -0.426 41.731 42.059 0.162 0.000 1.033 551 L HN 0.084 nan 8.230 nan 0.000 0.474 552 D N -1.591 118.863 120.400 0.090 0.000 2.360 552 D HA -0.071 4.569 4.640 -0.000 0.000 0.210 552 D C 0.997 177.339 176.300 0.070 0.000 1.047 552 D CA -0.124 53.926 54.000 0.082 0.000 0.854 552 D CB 0.049 40.901 40.800 0.088 0.000 0.936 552 D HN 0.005 nan 8.370 nan 0.000 0.514 553 Q N 1.447 121.276 119.800 0.049 0.000 2.307 553 Q HA 0.160 4.499 4.340 -0.000 0.000 0.259 553 Q C -0.587 175.511 176.000 0.164 0.000 0.998 553 Q CA -0.155 55.693 55.803 0.076 0.000 0.923 553 Q CB 0.718 29.478 28.738 0.037 0.000 1.196 553 Q HN 0.257 nan 8.270 nan 0.000 0.416 554 E N 2.502 122.788 120.200 0.143 0.000 2.313 554 E HA 0.329 4.679 4.350 -0.000 0.000 0.276 554 E C -1.122 175.587 176.600 0.180 0.000 1.031 554 E CA -0.561 55.929 56.400 0.151 0.000 0.857 554 E CB 0.908 30.685 29.700 0.128 0.000 1.040 554 E HN 0.468 nan 8.360 nan 0.000 0.408 555 V N 5.289 125.306 119.914 0.171 0.000 2.398 555 V HA 0.198 4.318 4.120 -0.000 0.000 0.286 555 V C -0.246 175.940 176.094 0.154 0.000 1.026 555 V CA -0.697 61.710 62.300 0.179 0.000 0.868 555 V CB 0.903 32.817 31.823 0.151 0.000 0.982 555 V HN 0.585 nan 8.190 nan 0.000 0.443 556 F N 5.775 125.760 119.950 0.059 0.000 2.467 556 F HA 0.528 5.055 4.527 -0.000 0.000 0.362 556 F C -0.107 175.682 175.800 -0.019 0.000 1.090 556 F CA 0.171 58.190 58.000 0.032 0.000 1.202 556 F CB 0.811 39.835 39.000 0.041 0.000 1.113 556 F HN 0.256 nan 8.300 nan 0.000 0.541 557 V N 8.257 127.662 119.914 -0.849 0.000 2.577 557 V HA 0.364 4.484 4.120 -0.000 0.000 0.303 557 V C -2.065 173.435 176.094 -0.991 0.000 1.042 557 V CA -1.783 60.119 62.300 -0.663 0.000 0.872 557 V CB 1.809 33.459 31.823 -0.289 0.000 0.998 557 V HN 0.669 nan 8.190 nan 0.000 0.423 558 P HA 0.135 nan 4.420 nan 0.000 0.269 558 P C -0.272 176.956 177.300 -0.120 0.000 1.215 558 P CA -0.036 62.875 63.100 -0.315 0.000 0.780 558 P CB 0.793 32.486 31.700 -0.011 0.000 0.898 559 A N 2.036 124.835 122.820 -0.036 0.000 2.561 559 A HA 0.366 4.686 4.320 -0.000 0.000 0.251 559 A C 1.561 179.177 177.584 0.053 0.000 1.062 559 A CA 0.865 52.908 52.037 0.010 0.000 0.761 559 A CB -1.623 17.401 19.000 0.041 0.000 0.986 559 A HN 0.914 nan 8.150 nan 0.000 0.510 560 G N 1.346 110.172 108.800 0.043 0.000 2.217 560 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.246 560 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.246 560 G C 0.125 175.056 174.900 0.051 0.000 0.990 560 G CA 0.301 45.424 45.100 0.037 0.000 0.627 560 G HN 1.151 nan 8.290 nan 0.000 0.522 561 W N 2.914 124.158 121.300 -0.093 0.000 2.311 561 W HA 0.561 5.220 4.660 -0.000 0.000 0.310 561 W C 0.657 177.103 176.519 -0.121 0.000 1.274 561 W CA 0.736 58.016 57.345 -0.110 0.000 1.215 561 W CB 1.041 30.426 29.460 -0.125 0.000 1.227 561 W HN 0.489 nan 8.180 nan 0.000 0.523 562 T N 3.165 117.511 114.554 -0.347 0.000 2.952 562 T HA 0.830 5.180 4.350 -0.000 0.000 0.305 562 T C -0.398 173.942 174.700 -0.599 0.000 1.064 562 T CA -0.605 61.348 62.100 -0.244 0.000 1.008 562 T CB 1.456 70.221 68.868 -0.173 0.000 1.078 562 T HN 0.700 nan 8.240 nan 0.000 0.459 563 G N 1.429 110.048 108.800 -0.302 0.000 2.721 563 G HA2 0.731 4.691 3.960 -0.000 0.000 0.296 563 G HA3 0.731 4.691 3.960 -0.000 0.000 0.296 563 G C -1.935 172.921 174.900 -0.073 0.000 1.383 563 G CA -1.138 43.766 45.100 -0.327 0.000 0.788 563 G HN 0.782 nan 8.290 nan 0.000 0.500 564 K N 0.040 120.414 120.400 -0.042 0.000 2.426 564 K HA 0.522 4.842 4.320 -0.000 0.000 0.251 564 K C -0.604 176.080 176.600 0.140 0.000 0.941 564 K CA -0.943 55.367 56.287 0.039 0.000 0.808 564 K CB 2.340 34.850 32.500 0.018 0.000 1.265 564 K HN 0.253 nan 8.250 nan 0.000 0.432 565 M N 1.890 121.558 119.600 0.114 0.000 2.291 565 M HA 0.213 4.693 4.480 -0.000 0.000 0.324 565 M C -1.721 174.562 176.300 -0.029 0.000 1.148 565 M CA -2.429 52.930 55.300 0.098 0.000 1.104 565 M CB 0.154 32.749 32.600 -0.009 0.000 1.483 565 M HN 0.259 nan 8.290 nan 0.000 0.467 566 P HA -0.210 nan 4.420 nan 0.000 0.218 566 P C 0.829 178.033 177.300 -0.161 0.000 1.152 566 P CA 1.584 64.530 63.100 -0.256 0.000 0.857 566 P CB -0.101 31.147 31.700 -0.752 0.000 0.787 567 N N -1.383 117.172 118.700 -0.241 0.000 2.521 567 N HA -0.011 4.728 4.740 -0.000 0.000 0.188 567 N C 1.271 176.701 175.510 -0.132 0.000 1.146 567 N CA 1.349 54.273 53.050 -0.210 0.000 0.893 567 N CB -0.762 37.542 38.487 -0.306 0.000 0.975 567 N HN 0.262 nan 8.380 nan 0.000 0.451 568 G N -0.315 108.434 108.800 -0.085 0.000 2.195 568 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.224 568 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.224 568 G C -0.713 174.157 174.900 -0.049 0.000 0.990 568 G CA -0.001 45.068 45.100 -0.052 0.000 0.639 568 G HN 0.429 nan 8.290 nan 0.000 0.514 569 D N 1.157 121.517 120.400 -0.066 0.000 2.450 569 D HA 0.349 4.989 4.640 -0.000 0.000 0.247 569 D C 0.952 177.249 176.300 -0.006 0.000 1.162 569 D CA 0.220 54.193 54.000 -0.046 0.000 0.879 569 D CB 1.661 42.423 40.800 -0.064 0.000 1.163 569 D HN 0.182 nan 8.370 nan 0.000 0.472 570 V N 3.929 123.841 119.914 -0.003 0.000 2.614 570 V HA 0.139 4.259 4.120 -0.000 0.000 0.291 570 V C 0.810 176.931 176.094 0.044 0.000 1.049 570 V CA -0.295 62.011 62.300 0.011 0.000 1.038 570 V CB 0.757 32.578 31.823 -0.003 0.000 0.980 570 V HN 0.326 nan 8.190 nan 0.000 0.481 571 I N 6.774 127.393 120.570 0.082 0.000 2.354 571 I HA 0.518 4.688 4.170 -0.000 0.000 0.286 571 I C 0.035 176.247 176.117 0.158 0.000 1.007 571 I CA -0.276 61.111 61.300 0.145 0.000 1.167 571 I CB 0.691 38.852 38.000 0.268 0.000 1.320 571 I HN 0.737 nan 8.210 nan 0.000 0.458 572 K N 2.715 123.170 120.400 0.092 0.000 2.578 572 K HA 0.521 4.841 4.320 -0.000 0.000 0.287 572 K C -0.993 175.610 176.600 0.004 0.000 1.010 572 K CA -0.913 55.412 56.287 0.064 0.000 0.889 572 K CB 1.164 33.683 32.500 0.032 0.000 1.514 572 K HN 0.243 nan 8.250 nan 0.000 0.424 573 S N -0.252 115.426 115.700 -0.037 0.000 2.552 573 S HA 0.338 4.808 4.470 -0.000 0.000 0.289 573 S C 1.132 175.719 174.600 -0.022 0.000 1.304 573 S CA 1.094 59.244 58.200 -0.082 0.000 1.063 573 S CB 0.389 63.529 63.200 -0.100 0.000 0.848 573 S HN 1.043 nan 8.310 nan 0.000 0.499 574 G N 0.691 109.488 108.800 -0.005 0.000 2.232 574 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.226 574 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.226 574 G C 0.265 175.195 174.900 0.050 0.000 0.996 574 G CA -0.156 44.962 45.100 0.029 0.000 0.626 574 G HN 1.449 nan 8.290 nan 0.000 0.509 575 V N -1.106 118.836 119.914 0.047 0.000 3.139 575 V HA 0.692 4.812 4.120 -0.000 0.000 0.307 575 V C 0.441 176.597 176.094 0.103 0.000 1.095 575 V CA -0.392 61.949 62.300 0.069 0.000 1.160 575 V CB 1.238 33.097 31.823 0.060 0.000 1.003 575 V HN 0.313 nan 8.190 nan 0.000 0.489 576 K N 1.512 121.992 120.400 0.132 0.000 2.313 576 K HA 0.406 4.726 4.320 -0.000 0.000 0.235 576 K C 0.377 177.127 176.600 0.250 0.000 1.035 576 K CA -0.673 55.731 56.287 0.196 0.000 0.868 576 K CB 1.278 33.903 32.500 0.208 0.000 1.232 576 K HN 0.692 nan 8.250 nan 0.000 0.459 577 F N 1.316 121.381 119.950 0.192 0.000 2.045 577 F HA -0.330 4.197 4.527 -0.000 0.000 0.297 577 F C 1.976 177.935 175.800 0.264 0.000 1.114 577 F CA 1.966 60.112 58.000 0.243 0.000 1.207 577 F CB -0.245 38.947 39.000 0.320 0.000 0.964 577 F HN 0.514 nan 8.300 nan 0.000 0.486 578 I N 0.993 121.861 120.570 0.497 0.000 2.423 578 I HA -0.280 3.890 4.170 -0.000 0.000 0.254 578 I C 1.849 178.043 176.117 0.128 0.000 1.151 578 I CA 1.704 63.225 61.300 0.369 0.000 1.421 578 I CB -0.869 37.432 38.000 0.501 0.000 1.079 578 I HN 0.205 nan 8.210 nan 0.000 0.431 579 D N 0.530 120.998 120.400 0.114 0.000 2.218 579 D HA -0.090 4.549 4.640 -0.000 0.000 0.204 579 D C 1.871 178.170 176.300 -0.000 0.000 0.976 579 D CA 1.721 55.752 54.000 0.053 0.000 0.853 579 D CB -0.158 40.684 40.800 0.070 0.000 0.939 579 D HN 0.619 nan 8.370 nan 0.000 0.481 580 I N -2.692 117.863 120.570 -0.024 0.000 3.904 580 I HA 0.290 4.459 4.170 -0.000 0.000 0.333 580 I C 0.173 176.231 176.117 -0.099 0.000 1.361 580 I CA -0.175 61.102 61.300 -0.037 0.000 1.116 580 I CB 0.310 38.316 38.000 0.011 0.000 1.028 580 I HN -0.309 nan 8.210 nan 0.000 0.398 581 R N 0.883 121.299 120.500 -0.140 0.000 2.648 581 R HA 0.160 4.500 4.340 -0.000 0.000 0.341 581 R C 1.258 177.443 176.300 -0.192 0.000 1.154 581 R CA 0.401 56.370 56.100 -0.219 0.000 1.228 581 R CB 0.714 30.956 30.300 -0.096 0.000 1.311 581 R HN 0.399 nan 8.270 nan 0.000 0.659 582 S N 0.198 115.769 115.700 -0.214 0.000 2.465 582 S HA -0.179 4.291 4.470 -0.000 0.000 0.241 582 S C 1.472 175.909 174.600 -0.271 0.000 1.000 582 S CA 0.851 58.931 58.200 -0.201 0.000 0.964 582 S CB -0.004 63.099 63.200 -0.163 0.000 0.763 582 S HN 0.331 nan 8.310 nan 0.000 0.512 583 K N -0.326 119.838 120.400 -0.393 0.000 2.283 583 K HA -0.002 4.318 4.320 -0.000 0.000 0.202 583 K C 1.305 177.827 176.600 -0.129 0.000 1.048 583 K CA 0.889 56.951 56.287 -0.375 0.000 0.948 583 K CB -0.321 31.731 32.500 -0.746 0.000 0.742 583 K HN 0.358 nan 8.250 nan 0.000 0.458 584 Y N 1.856 122.072 120.300 -0.141 0.000 2.556 584 Y HA -0.149 4.400 4.550 -0.000 0.000 0.290 584 Y C 1.442 176.935 175.900 -0.680 0.000 1.149 584 Y CA 1.062 59.086 58.100 -0.127 0.000 1.329 584 Y CB -0.011 38.422 38.460 -0.045 0.000 0.975 584 Y HN -0.051 nan 8.280 nan 0.000 0.561 585 K N -0.804 119.203 120.400 -0.655 0.000 2.486 585 K HA -0.103 4.217 4.320 -0.000 0.000 0.194 585 K C 1.320 177.712 176.600 -0.347 0.000 1.033 585 K CA 0.491 56.203 56.287 -0.958 0.000 1.004 585 K CB 0.137 32.258 32.500 -0.631 0.000 0.798 585 K HN 0.158 nan 8.250 nan 0.000 0.495 586 Q N 0.597 120.304 119.800 -0.153 0.000 2.319 586 Q HA 0.059 4.399 4.340 -0.000 0.000 0.202 586 Q C -0.291 175.740 176.000 0.051 0.000 0.896 586 Q CA 0.267 56.052 55.803 -0.030 0.000 0.942 586 Q CB 0.344 29.065 28.738 -0.030 0.000 1.083 586 Q HN 0.183 nan 8.270 nan 0.000 0.510 587 D N -0.009 120.458 120.400 0.111 0.000 2.414 587 D HA -0.014 4.626 4.640 -0.000 0.000 0.242 587 D C -1.666 174.735 176.300 0.169 0.000 1.129 587 D CA -1.509 52.595 54.000 0.173 0.000 0.885 587 D CB 1.528 42.516 40.800 0.314 0.000 1.198 587 D HN -0.027 nan 8.370 nan 0.000 0.437 588 P HA -0.088 nan 4.420 nan 0.000 0.219 588 P C 0.428 177.782 177.300 0.090 0.000 1.146 588 P CA 1.064 64.210 63.100 0.076 0.000 0.808 588 P CB 0.279 31.998 31.700 0.032 0.000 0.779 589 E N -2.418 117.849 120.200 0.112 0.000 2.479 589 E HA -0.051 4.299 4.350 -0.000 0.000 0.193 589 E C 1.378 178.028 176.600 0.083 0.000 1.049 589 E CA -0.250 56.200 56.400 0.084 0.000 0.870 589 E CB -0.332 29.414 29.700 0.076 0.000 0.944 589 E HN 0.414 nan 8.360 nan 0.000 0.492 590 W N 2.182 123.457 121.300 -0.041 0.000 2.332 590 W HA -0.253 4.407 4.660 -0.000 0.000 0.321 590 W C 1.645 178.117 176.519 -0.079 0.000 1.219 590 W CA 1.387 58.679 57.345 -0.087 0.000 1.277 590 W CB 0.087 29.522 29.460 -0.042 0.000 1.161 590 W HN 0.091 nan 8.180 nan 0.000 0.476 591 Q N -0.313 119.486 119.800 -0.001 0.000 2.096 591 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 591 Q C 1.990 177.893 176.000 -0.162 0.000 0.982 591 Q CA 2.416 58.163 55.803 -0.093 0.000 0.850 591 Q CB -1.318 27.434 28.738 0.024 0.000 0.901 591 Q HN 0.273 nan 8.270 nan 0.000 0.422 592 T N 1.711 116.200 114.554 -0.108 0.000 2.746 592 T HA -0.123 4.227 4.350 -0.000 0.000 0.267 592 T C 1.720 176.327 174.700 -0.155 0.000 1.039 592 T CA 1.160 63.201 62.100 -0.099 0.000 1.142 592 T CB -0.133 68.705 68.868 -0.050 0.000 0.866 592 T HN 0.189 nan 8.240 nan 0.000 0.444 593 M N 0.989 120.443 119.600 -0.242 0.000 2.099 593 M HA -0.051 4.429 4.480 -0.000 0.000 0.262 593 M C 2.257 178.330 176.300 -0.379 0.000 1.067 593 M CA 1.456 56.579 55.300 -0.296 0.000 1.124 593 M CB -0.651 31.692 32.600 -0.429 0.000 1.353 593 M HN 0.122 nan 8.290 nan 0.000 0.410 594 V N 0.903 120.474 119.914 -0.572 0.000 2.427 594 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 594 V C 2.718 178.669 176.094 -0.239 0.000 1.051 594 V CA 1.662 63.681 62.300 -0.467 0.000 1.048 594 V CB -1.410 30.076 31.823 -0.562 0.000 0.666 594 V HN 0.594 nan 8.190 nan 0.000 0.456 595 A N 0.066 122.771 122.820 -0.192 0.000 1.940 595 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 595 A C 2.416 179.943 177.584 -0.094 0.000 1.176 595 A CA 2.144 54.113 52.037 -0.113 0.000 0.631 595 A CB -0.711 18.236 19.000 -0.088 0.000 0.814 595 A HN 0.572 nan 8.150 nan 0.000 0.446 596 A N -0.392 122.367 122.820 -0.102 0.000 1.898 596 A HA 0.013 4.333 4.320 -0.000 0.000 0.216 596 A C 2.175 179.719 177.584 -0.066 0.000 1.181 596 A CA 1.381 53.373 52.037 -0.074 0.000 0.620 596 A CB -0.525 18.435 19.000 -0.067 0.000 0.819 596 A HN 0.469 nan 8.150 nan 0.000 0.442 597 L N -0.812 120.361 121.223 -0.083 0.000 2.017 597 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 597 L C 2.914 179.752 176.870 -0.053 0.000 1.073 597 L CA 1.203 56.007 54.840 -0.059 0.000 0.745 597 L CB -0.593 41.423 42.059 -0.070 0.000 0.894 597 L HN 0.381 nan 8.230 nan 0.000 0.432 598 Q N -0.033 119.729 119.800 -0.063 0.000 2.112 598 Q HA -0.187 4.152 4.340 -0.000 0.000 0.206 598 Q C 2.132 178.109 176.000 -0.039 0.000 0.987 598 Q CA 1.837 57.612 55.803 -0.046 0.000 0.858 598 Q CB -0.425 28.284 28.738 -0.048 0.000 0.905 598 Q HN 0.525 nan 8.270 nan 0.000 0.420 599 A N -0.363 122.431 122.820 -0.042 0.000 2.259 599 A HA 0.338 4.657 4.320 -0.000 0.000 0.208 599 A C 1.241 178.804 177.584 -0.035 0.000 1.201 599 A CA 0.789 52.804 52.037 -0.036 0.000 0.824 599 A CB -0.365 18.613 19.000 -0.036 0.000 0.838 599 A HN 0.408 nan 8.150 nan 0.000 0.485 600 G N -0.637 108.140 108.800 -0.038 0.000 2.246 600 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.273 600 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.273 600 G C -0.173 174.703 174.900 -0.039 0.000 1.055 600 G CA 0.446 45.522 45.100 -0.040 0.000 0.851 600 G HN 0.686 nan 8.290 nan 0.000 0.500 601 Q N -1.253 118.524 119.800 -0.038 0.000 2.348 601 Q HA 0.654 4.994 4.340 -0.000 0.000 0.271 601 Q C 0.018 175.999 176.000 -0.031 0.000 1.067 601 Q CA -1.114 54.667 55.803 -0.036 0.000 0.839 601 Q CB 2.789 31.506 28.738 -0.037 0.000 1.354 601 Q HN 0.135 nan 8.270 nan 0.000 0.447 602 V N 3.285 123.181 119.914 -0.029 0.000 2.488 602 V HA 0.179 4.299 4.120 -0.000 0.000 0.277 602 V C -2.021 174.053 176.094 -0.034 0.000 1.046 602 V CA -1.292 60.995 62.300 -0.022 0.000 0.986 602 V CB 0.546 32.353 31.823 -0.027 0.000 0.989 602 V HN 0.650 nan 8.190 nan 0.000 0.475 603 P HA 0.268 nan 4.420 nan 0.000 0.271 603 P C -0.321 176.935 177.300 -0.073 0.000 1.233 603 P CA -0.028 63.051 63.100 -0.034 0.000 0.789 603 P CB 0.418 32.135 31.700 0.028 0.000 0.951 604 T N -1.909 112.610 114.554 -0.058 0.000 2.896 604 T HA 0.680 5.029 4.350 -0.000 0.000 0.297 604 T C -0.945 173.729 174.700 -0.045 0.000 1.108 604 T CA -0.847 61.213 62.100 -0.068 0.000 1.004 604 T CB 1.626 70.462 68.868 -0.054 0.000 1.159 604 T HN 0.392 nan 8.240 nan 0.000 0.499 605 Q N -0.094 119.676 119.800 -0.050 0.000 2.511 605 Q HA 0.493 4.833 4.340 -0.000 0.000 0.289 605 Q C -1.315 174.659 176.000 -0.045 0.000 1.021 605 Q CA -0.975 54.815 55.803 -0.022 0.000 0.785 605 Q CB 3.146 31.891 28.738 0.013 0.000 1.472 605 Q HN 0.719 nan 8.270 nan 0.000 0.411 606 R N 1.970 122.446 120.500 -0.040 0.000 2.335 606 R HA 0.419 4.759 4.340 -0.000 0.000 0.302 606 R C -1.373 174.844 176.300 -0.138 0.000 1.147 606 R CA -0.134 55.911 56.100 -0.091 0.000 1.111 606 R CB 0.125 30.395 30.300 -0.051 0.000 1.122 606 R HN 0.510 nan 8.270 nan 0.000 0.557 607 L N 3.126 124.237 121.223 -0.187 0.000 2.379 607 L HA 0.390 4.730 4.340 -0.000 0.000 0.269 607 L C -0.310 176.328 176.870 -0.387 0.000 1.084 607 L CA -0.842 53.895 54.840 -0.172 0.000 0.802 607 L CB 1.408 43.425 42.059 -0.069 0.000 1.175 607 L HN 0.597 nan 8.230 nan 0.000 0.448 608 H N 1.362 120.413 119.070 -0.031 0.000 2.675 608 H HA 0.345 4.901 4.556 -0.000 0.000 0.258 608 H C -0.858 174.485 175.328 0.024 0.000 1.271 608 H CA -0.549 55.503 56.048 0.006 0.000 1.462 608 H CB 0.444 30.222 29.762 0.025 0.000 1.467 608 H HN 0.323 nan 8.280 nan 0.000 0.501 609 R N 1.701 122.157 120.500 -0.073 0.000 2.267 609 R HA 0.043 4.383 4.340 -0.000 0.000 0.319 609 R C 0.609 176.806 176.300 -0.171 0.000 1.067 609 R CA -0.347 55.613 56.100 -0.232 0.000 0.936 609 R CB 0.541 30.503 30.300 -0.565 0.000 1.006 609 R HN 0.508 nan 8.270 nan 0.000 0.452 610 F N 4.753 124.629 119.950 -0.124 0.000 2.087 610 F HA -0.291 4.236 4.527 -0.000 0.000 0.299 610 F C 1.796 177.523 175.800 -0.122 0.000 1.100 610 F CA 1.658 59.591 58.000 -0.112 0.000 1.226 610 F CB -0.049 38.897 39.000 -0.091 0.000 0.983 610 F HN 0.709 nan 8.300 nan 0.000 0.479 611 W N 0.481 121.630 121.300 -0.250 0.000 2.402 611 W HA -0.004 4.656 4.660 -0.000 0.000 0.286 611 W C 1.956 178.200 176.519 -0.458 0.000 1.221 611 W CA 1.022 58.035 57.345 -0.554 0.000 1.257 611 W CB -1.459 27.680 29.460 -0.536 0.000 1.120 611 W HN 0.173 nan 8.180 nan 0.000 0.551 612 A N 1.522 123.814 122.820 -0.879 0.000 1.930 612 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 612 A C 2.218 179.638 177.584 -0.274 0.000 1.175 612 A CA 1.562 53.156 52.037 -0.738 0.000 0.627 612 A CB -0.745 17.721 19.000 -0.890 0.000 0.815 612 A HN 0.270 nan 8.150 nan 0.000 0.443 613 Q N 0.273 119.897 119.800 -0.293 0.000 2.050 613 Q HA -0.105 4.234 4.340 -0.000 0.000 0.202 613 Q C 2.412 178.338 176.000 -0.123 0.000 0.980 613 Q CA 1.863 57.566 55.803 -0.168 0.000 0.840 613 Q CB -0.884 27.671 28.738 -0.306 0.000 0.898 613 Q HN 0.617 nan 8.270 nan 0.000 0.424 614 S N 1.413 116.929 115.700 -0.306 0.000 2.382 614 S HA -0.179 4.291 4.470 -0.000 0.000 0.228 614 S C 1.915 176.561 174.600 0.076 0.000 1.027 614 S CA 1.404 59.526 58.200 -0.131 0.000 0.991 614 S CB -0.154 62.938 63.200 -0.181 0.000 0.823 614 S HN 0.377 nan 8.310 nan 0.000 0.469 615 E N 0.817 121.086 120.200 0.116 0.000 2.110 615 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 615 E C 1.639 178.370 176.600 0.218 0.000 0.988 615 E CA 0.973 57.520 56.400 0.245 0.000 0.804 615 E CB -0.303 29.639 29.700 0.403 0.000 0.745 615 E HN 0.475 nan 8.360 nan 0.000 0.458 616 F N 0.412 120.398 119.950 0.060 0.000 2.146 616 F HA 0.018 4.545 4.527 -0.000 0.000 0.298 616 F C 1.923 177.798 175.800 0.127 0.000 1.096 616 F CA 1.385 59.440 58.000 0.091 0.000 1.275 616 F CB -0.777 38.269 39.000 0.077 0.000 1.008 616 F HN 0.108 nan 8.300 nan 0.000 0.480 617 A N 0.042 122.892 122.820 0.050 0.000 1.841 617 A HA -0.118 4.202 4.320 -0.000 0.000 0.214 617 A C 2.348 180.078 177.584 0.244 0.000 1.195 617 A CA 2.066 54.147 52.037 0.073 0.000 0.611 617 A CB -1.438 17.594 19.000 0.054 0.000 0.835 617 A HN 0.210 nan 8.150 nan 0.000 0.443 618 V N 0.185 120.183 119.914 0.140 0.000 2.317 618 V HA -0.351 3.769 4.120 -0.000 0.000 0.251 618 V C 3.062 179.071 176.094 -0.141 0.000 1.065 618 V CA 2.264 64.501 62.300 -0.105 0.000 1.049 618 V CB -1.370 30.108 31.823 -0.574 0.000 0.651 618 V HN 0.651 nan 8.190 nan 0.000 0.450 619 A N 0.092 122.857 122.820 -0.091 0.000 1.908 619 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 619 A C 2.096 179.632 177.584 -0.080 0.000 1.181 619 A CA 2.121 54.126 52.037 -0.053 0.000 0.627 619 A CB -0.679 18.340 19.000 0.032 0.000 0.818 619 A HN 0.624 nan 8.150 nan 0.000 0.445 620 N N -0.077 118.548 118.700 -0.126 0.000 2.166 620 N HA -0.121 4.619 4.740 -0.000 0.000 0.186 620 N C 1.868 177.384 175.510 0.009 0.000 1.019 620 N CA 1.382 54.383 53.050 -0.082 0.000 0.856 620 N CB -0.570 37.832 38.487 -0.142 0.000 0.993 620 N HN 0.505 nan 8.380 nan 0.000 0.426 621 G N 1.040 109.835 108.800 -0.008 0.000 2.418 621 G HA2 -0.161 3.798 3.960 -0.000 0.000 0.217 621 G HA3 -0.161 3.798 3.960 -0.000 0.000 0.217 621 G C 1.765 176.586 174.900 -0.132 0.000 1.158 621 G CA 0.629 45.688 45.100 -0.067 0.000 0.771 621 G HN 0.162 nan 8.290 nan 0.000 0.545 622 V N -0.230 119.571 119.914 -0.188 0.000 2.332 622 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 622 V C 2.284 178.216 176.094 -0.271 0.000 1.055 622 V CA 1.877 63.997 62.300 -0.300 0.000 1.038 622 V CB -0.677 30.957 31.823 -0.315 0.000 0.651 622 V HN 0.465 nan 8.190 nan 0.000 0.450 623 Y N 1.125 121.281 120.300 -0.241 0.000 2.163 623 Y HA -0.177 4.373 4.550 -0.000 0.000 0.288 623 Y C 2.446 178.266 175.900 -0.133 0.000 1.136 623 Y CA 1.518 59.496 58.100 -0.204 0.000 1.147 623 Y CB -0.542 37.678 38.460 -0.399 0.000 0.987 623 Y HN 0.156 nan 8.280 nan 0.000 0.509 624 A N 0.016 122.853 122.820 0.029 0.000 1.978 624 A HA -0.190 4.129 4.320 -0.000 0.000 0.220 624 A C 2.242 179.791 177.584 -0.058 0.000 1.170 624 A CA 2.032 54.097 52.037 0.046 0.000 0.636 624 A CB -1.022 18.006 19.000 0.046 0.000 0.810 624 A HN 0.598 nan 8.150 nan 0.000 0.448 625 I N -0.866 119.622 120.570 -0.136 0.000 2.400 625 I HA -0.122 4.048 4.170 -0.000 0.000 0.248 625 I C 2.054 177.995 176.117 -0.294 0.000 1.109 625 I CA 0.787 61.966 61.300 -0.202 0.000 1.425 625 I CB -0.141 37.686 38.000 -0.290 0.000 1.094 625 I HN 0.255 nan 8.210 nan 0.000 0.425 626 L N -0.675 120.277 121.223 -0.451 0.000 2.341 626 L HA 0.011 4.351 4.340 -0.000 0.000 0.214 626 L C 0.030 176.309 176.870 -0.986 0.000 1.115 626 L CA 0.739 55.158 54.840 -0.701 0.000 0.820 626 L CB 0.006 41.536 42.059 -0.882 0.000 0.944 626 L HN 0.112 nan 8.230 nan 0.000 0.452 627 F N -0.590 119.071 119.950 -0.482 0.000 2.622 627 F HA 0.333 4.860 4.527 -0.000 0.000 0.338 627 F C -1.820 173.817 175.800 -0.272 0.000 1.334 627 F CA -1.762 55.977 58.000 -0.434 0.000 1.179 627 F CB 0.501 39.050 39.000 -0.751 0.000 1.471 627 F HN -0.210 nan 8.300 nan 0.000 0.576 628 P HA -0.091 nan 4.420 nan 0.000 0.226 628 P C -0.313 177.000 177.300 0.021 0.000 1.146 628 P CA 1.419 64.503 63.100 -0.026 0.000 0.773 628 P CB 0.306 31.977 31.700 -0.049 0.000 0.772 629 D N 0.000 120.430 120.400 0.050 0.000 6.856 629 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 629 D CA 0.000 54.037 54.000 0.061 0.000 0.868 629 D CB 0.000 40.827 40.800 0.045 0.000 0.688 629 D HN 0.000 nan 8.370 nan 0.000 0.683