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 1g9g_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 0.000 177.605 177.584 0.035 0.000 1.274 1 A CA 0.000 52.055 52.037 0.030 0.000 0.836 1 A CB 0.000 19.013 19.000 0.022 0.000 0.831 2 S N 1.481 117.200 115.700 0.032 0.000 2.585 2 S HA 0.592 5.062 4.470 -0.000 0.000 0.273 2 S C 0.652 175.260 174.600 0.013 0.000 1.339 2 S CA 0.248 58.462 58.200 0.024 0.000 1.028 2 S CB 0.772 63.965 63.200 -0.013 0.000 0.906 2 S HN 2.058 nan 8.310 nan 0.000 0.528 3 S N 1.893 117.601 115.700 0.012 0.000 2.593 3 S HA 0.423 4.893 4.470 -0.000 0.000 0.269 3 S C -2.281 172.316 174.600 -0.005 0.000 1.334 3 S CA -1.127 57.076 58.200 0.006 0.000 1.015 3 S CB -0.558 62.648 63.200 0.009 0.000 0.912 3 S HN 0.792 nan 8.310 nan 0.000 0.541 4 P HA 0.382 nan 4.420 nan 0.000 0.271 4 P C -0.900 176.398 177.300 -0.004 0.000 1.216 4 P CA -0.271 62.828 63.100 -0.002 0.000 0.776 4 P CB 0.714 32.411 31.700 -0.005 0.000 0.881 5 A N 2.845 125.674 122.820 0.014 0.000 2.330 5 A HA 0.352 4.672 4.320 -0.000 0.000 0.329 5 A C 0.236 177.819 177.584 -0.003 0.000 1.135 5 A CA -0.828 51.222 52.037 0.022 0.000 0.817 5 A CB 0.633 19.715 19.000 0.136 0.000 1.269 5 A HN 0.620 nan 8.150 nan 0.000 0.469 6 N N 0.623 119.334 118.700 0.019 0.000 2.434 6 N HA -0.053 4.687 4.740 -0.000 0.000 0.268 6 N C 0.869 176.375 175.510 -0.007 0.000 1.256 6 N CA 0.198 53.285 53.050 0.061 0.000 0.914 6 N CB 1.035 39.647 38.487 0.209 0.000 1.088 6 N HN 0.685 nan 8.380 nan 0.000 0.478 7 K N 3.851 124.222 120.400 -0.050 0.000 2.044 7 K HA -0.127 4.192 4.320 -0.000 0.000 0.210 7 K C 1.546 178.033 176.600 -0.188 0.000 1.049 7 K CA 1.543 57.760 56.287 -0.117 0.000 0.927 7 K CB -0.508 31.939 32.500 -0.090 0.000 0.713 7 K HN 0.424 nan 8.250 nan 0.000 0.443 8 V N 0.111 119.896 119.914 -0.214 0.000 2.255 8 V HA -0.269 3.851 4.120 -0.000 0.000 0.247 8 V C 2.053 177.778 176.094 -0.616 0.000 1.051 8 V CA 2.126 64.165 62.300 -0.435 0.000 1.018 8 V CB -0.719 30.766 31.823 -0.564 0.000 0.641 8 V HN 0.286 nan 8.190 nan 0.000 0.445 9 Y N -0.104 120.061 120.300 -0.225 0.000 2.439 9 Y HA -0.126 4.424 4.550 -0.000 0.000 0.292 9 Y C 2.632 178.351 175.900 -0.302 0.000 1.130 9 Y CA 1.406 59.352 58.100 -0.257 0.000 1.254 9 Y CB -0.369 38.033 38.460 -0.097 0.000 1.000 9 Y HN 0.276 nan 8.280 nan 0.000 0.554 10 Q N 0.505 120.143 119.800 -0.270 0.000 2.079 10 Q HA -0.187 4.153 4.340 -0.000 0.000 0.200 10 Q C 1.263 177.037 176.000 -0.377 0.000 0.974 10 Q CA 1.734 57.199 55.803 -0.564 0.000 0.840 10 Q CB 0.013 28.325 28.738 -0.710 0.000 0.898 10 Q HN 0.392 nan 8.270 nan 0.000 0.430 11 D N 0.194 120.408 120.400 -0.309 0.000 2.178 11 D HA -0.149 4.490 4.640 -0.000 0.000 0.201 11 D C 1.902 178.060 176.300 -0.238 0.000 0.980 11 D CA 0.975 54.836 54.000 -0.230 0.000 0.842 11 D CB -0.088 40.581 40.800 -0.219 0.000 0.948 11 D HN 0.303 nan 8.370 nan 0.000 0.472 12 R N -0.313 119.941 120.500 -0.409 0.000 2.092 12 R HA -0.083 4.257 4.340 -0.000 0.000 0.231 12 R C 2.272 178.477 176.300 -0.157 0.000 1.119 12 R CA 0.582 56.366 56.100 -0.528 0.000 0.970 12 R CB -0.398 29.376 30.300 -0.876 0.000 0.864 12 R HN 0.200 nan 8.270 nan 0.000 0.440 13 F N 2.383 122.195 119.950 -0.230 0.000 2.113 13 F HA -0.127 4.400 4.527 -0.000 0.000 0.297 13 F C 1.877 177.688 175.800 0.018 0.000 1.103 13 F CA 1.490 59.426 58.000 -0.107 0.000 1.248 13 F CB -0.085 38.846 39.000 -0.114 0.000 0.999 13 F HN -0.079 nan 8.300 nan 0.000 0.475 14 E N -0.495 119.656 120.200 -0.081 0.000 2.118 14 E HA -0.230 4.120 4.350 -0.000 0.000 0.195 14 E C 2.360 178.945 176.600 -0.026 0.000 0.992 14 E CA 1.343 57.709 56.400 -0.056 0.000 0.804 14 E CB -0.419 29.304 29.700 0.037 0.000 0.741 14 E HN 0.416 nan 8.360 nan 0.000 0.458 15 S N 0.171 115.882 115.700 0.018 0.000 2.368 15 S HA -0.123 4.346 4.470 -0.000 0.000 0.224 15 S C 1.977 176.634 174.600 0.096 0.000 1.029 15 S CA 0.832 59.103 58.200 0.118 0.000 0.988 15 S CB 0.035 63.415 63.200 0.301 0.000 0.838 15 S HN 0.103 nan 8.310 nan 0.000 0.462 16 M N 0.086 119.726 119.600 0.067 0.000 2.132 16 M HA -0.027 4.453 4.480 -0.000 0.000 0.263 16 M C 1.991 178.238 176.300 -0.089 0.000 1.065 16 M CA 1.365 56.689 55.300 0.040 0.000 1.122 16 M CB -1.455 31.177 32.600 0.053 0.000 1.365 16 M HN 0.569 nan 8.290 nan 0.000 0.411 17 Y N 0.917 120.985 120.300 -0.386 0.000 2.165 17 Y HA -0.213 4.337 4.550 -0.000 0.000 0.286 17 Y C 2.505 178.312 175.900 -0.155 0.000 1.155 17 Y CA 2.022 59.904 58.100 -0.362 0.000 1.164 17 Y CB -0.288 37.840 38.460 -0.554 0.000 0.978 17 Y HN 0.187 nan 8.280 nan 0.000 0.513 18 S N 0.007 115.682 115.700 -0.040 0.000 2.383 18 S HA -0.161 4.309 4.470 -0.000 0.000 0.227 18 S C 1.842 176.410 174.600 -0.053 0.000 1.026 18 S CA 1.469 59.640 58.200 -0.047 0.000 0.981 18 S CB -0.195 63.029 63.200 0.041 0.000 0.818 18 S HN 0.449 nan 8.310 nan 0.000 0.472 19 K N 0.762 121.155 120.400 -0.012 0.000 2.097 19 K HA 0.094 4.413 4.320 -0.000 0.000 0.205 19 K C 1.902 178.558 176.600 0.093 0.000 1.050 19 K CA 0.978 57.296 56.287 0.050 0.000 0.938 19 K CB -0.238 32.311 32.500 0.081 0.000 0.718 19 K HN 0.327 nan 8.250 nan 0.000 0.442 20 I N 1.147 121.682 120.570 -0.058 0.000 2.315 20 I HA -0.225 3.945 4.170 -0.000 0.000 0.248 20 I C 1.740 177.932 176.117 0.125 0.000 1.117 20 I CA 1.047 62.261 61.300 -0.144 0.000 1.404 20 I CB 0.009 37.815 38.000 -0.323 0.000 1.071 20 I HN 0.009 nan 8.210 nan 0.000 0.419 21 K N 0.148 120.483 120.400 -0.108 0.000 2.426 21 K HA 0.039 4.358 4.320 -0.000 0.000 0.193 21 K C 0.231 176.789 176.600 -0.070 0.000 1.028 21 K CA 0.159 56.344 56.287 -0.170 0.000 1.047 21 K CB -0.529 31.681 32.500 -0.484 0.000 0.821 21 K HN 0.150 nan 8.250 nan 0.000 0.513 22 D N 2.477 122.884 120.400 0.012 0.000 2.389 22 D HA 0.001 4.641 4.640 -0.000 0.000 0.263 22 D C -1.729 174.601 176.300 0.051 0.000 1.255 22 D CA -1.800 52.215 54.000 0.024 0.000 0.914 22 D CB 1.295 42.119 40.800 0.041 0.000 1.116 22 D HN -0.106 nan 8.370 nan 0.000 0.502 23 P HA -0.154 nan 4.420 nan 0.000 0.217 23 P C 0.846 178.160 177.300 0.023 0.000 1.148 23 P CA 1.487 64.597 63.100 0.016 0.000 0.828 23 P CB 0.187 31.883 31.700 -0.007 0.000 0.783 24 A N -1.010 121.817 122.820 0.012 0.000 2.119 24 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 24 A C 1.945 179.515 177.584 -0.022 0.000 1.153 24 A CA 1.277 53.312 52.037 -0.003 0.000 0.692 24 A CB -0.924 18.072 19.000 -0.007 0.000 0.799 24 A HN 0.132 nan 8.150 nan 0.000 0.458 25 N N -0.529 118.164 118.700 -0.011 0.000 2.424 25 N HA 0.086 4.826 4.740 -0.000 0.000 0.178 25 N C 1.156 176.561 175.510 -0.176 0.000 1.060 25 N CA 1.036 54.030 53.050 -0.094 0.000 0.901 25 N CB 0.032 38.505 38.487 -0.024 0.000 0.979 25 N HN 0.570 nan 8.380 nan 0.000 0.451 26 G N 0.554 109.333 108.800 -0.034 0.000 2.246 26 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.273 26 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.273 26 G C 0.354 175.257 174.900 0.006 0.000 1.055 26 G CA 0.252 45.353 45.100 0.002 0.000 0.851 26 G HN 0.363 nan 8.290 nan 0.000 0.500 27 Y N -1.262 119.089 120.300 0.085 0.000 2.475 27 Y HA 0.404 4.954 4.550 -0.000 0.000 0.289 27 Y C 1.400 177.016 175.900 -0.474 0.000 1.121 27 Y CA 0.695 58.749 58.100 -0.077 0.000 1.257 27 Y CB 0.179 38.608 38.460 -0.052 0.000 1.026 27 Y HN 0.331 nan 8.280 nan 0.000 0.555 28 F N -1.184 118.654 119.950 -0.186 0.000 2.538 28 F HA 0.412 4.939 4.527 -0.000 0.000 0.325 28 F C 0.612 176.034 175.800 -0.631 0.000 1.066 28 F CA -1.718 55.957 58.000 -0.542 0.000 0.946 28 F CB 0.935 39.704 39.000 -0.384 0.000 1.199 28 F HN -0.351 nan 8.300 nan 0.000 0.473 29 S N -0.072 115.210 115.700 -0.697 0.000 2.661 29 S HA 0.166 4.636 4.470 -0.000 0.000 0.265 29 S C 1.016 175.519 174.600 -0.161 0.000 1.225 29 S CA -0.123 57.824 58.200 -0.422 0.000 0.986 29 S CB 0.699 63.632 63.200 -0.446 0.000 1.008 29 S HN 0.809 nan 8.310 nan 0.000 0.565 30 E N -0.047 120.106 120.200 -0.078 0.000 2.204 30 E HA -0.230 4.120 4.350 -0.000 0.000 0.195 30 E C 1.510 178.070 176.600 -0.068 0.000 0.990 30 E CA 1.110 57.480 56.400 -0.049 0.000 0.821 30 E CB -0.469 29.220 29.700 -0.018 0.000 0.750 30 E HN 0.780 nan 8.360 nan 0.000 0.477 31 Q N 0.135 119.862 119.800 -0.122 0.000 2.403 31 Q HA 0.129 4.469 4.340 -0.000 0.000 0.203 31 Q C 0.692 176.641 176.000 -0.085 0.000 0.932 31 Q CA 0.330 56.060 55.803 -0.122 0.000 0.945 31 Q CB 0.697 29.252 28.738 -0.305 0.000 1.045 31 Q HN 0.556 nan 8.270 nan 0.000 0.511 32 G N 1.300 110.040 108.800 -0.100 0.000 2.136 32 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.242 32 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.242 32 G C 0.015 174.912 174.900 -0.005 0.000 0.989 32 G CA -0.223 44.843 45.100 -0.057 0.000 0.682 32 G HN 0.316 nan 8.290 nan 0.000 0.522 33 I N 2.493 122.963 120.570 -0.167 0.000 2.331 33 I HA 0.330 4.499 4.170 -0.000 0.000 0.292 33 I C -1.671 174.117 176.117 -0.548 0.000 0.998 33 I CA -2.521 58.616 61.300 -0.273 0.000 1.267 33 I CB 1.708 39.497 38.000 -0.352 0.000 1.386 33 I HN -0.087 nan 8.210 nan 0.000 0.476 34 P HA 0.104 nan 4.420 nan 0.000 0.275 34 P C -1.265 175.528 177.300 -0.844 0.000 1.227 34 P CA -0.011 62.269 63.100 -1.366 0.000 0.781 34 P CB 0.558 30.953 31.700 -2.174 0.000 0.906 35 Y N 0.551 120.501 120.300 -0.584 0.000 2.334 35 Y HA 0.103 4.653 4.550 -0.000 0.000 0.325 35 Y C 2.407 178.228 175.900 -0.133 0.000 1.308 35 Y CA 0.089 57.996 58.100 -0.322 0.000 1.389 35 Y CB -0.200 38.026 38.460 -0.390 0.000 1.328 35 Y HN 0.514 nan 8.280 nan 0.000 0.532 36 H N 0.022 119.172 119.070 0.134 0.000 2.353 36 H HA 0.013 4.569 4.556 -0.000 0.000 0.300 36 H C -0.068 175.402 175.328 0.238 0.000 1.090 36 H CA 1.231 57.393 56.048 0.190 0.000 1.327 36 H CB 0.231 30.090 29.762 0.161 0.000 1.383 36 H HN 0.469 nan 8.280 nan 0.000 0.508 37 S N -2.097 113.714 115.700 0.186 0.000 2.570 37 S HA 0.259 4.729 4.470 -0.000 0.000 0.270 37 S C 0.806 175.479 174.600 0.121 0.000 1.149 37 S CA -0.492 57.789 58.200 0.135 0.000 0.837 37 S CB 0.638 63.911 63.200 0.122 0.000 1.124 37 S HN 0.174 nan 8.310 nan 0.000 0.465 38 I N 0.598 121.198 120.570 0.050 0.000 2.179 38 I HA -0.089 4.081 4.170 -0.000 0.000 0.242 38 I C 0.560 176.676 176.117 -0.002 0.000 1.088 38 I CA 1.185 62.450 61.300 -0.059 0.000 1.357 38 I CB -0.356 37.472 38.000 -0.287 0.000 1.051 38 I HN 0.651 nan 8.210 nan 0.000 0.409 39 E N 0.857 121.049 120.200 -0.014 0.000 2.392 39 E HA -0.012 4.338 4.350 -0.000 0.000 0.264 39 E C 1.186 177.664 176.600 -0.204 0.000 1.024 39 E CA 0.408 56.768 56.400 -0.067 0.000 0.903 39 E CB 0.524 30.235 29.700 0.018 0.000 0.963 39 E HN 0.266 nan 8.360 nan 0.000 0.432 40 T N 0.106 114.444 114.554 -0.360 0.000 2.976 40 T HA -0.002 4.348 4.350 -0.000 0.000 0.257 40 T C 0.876 175.413 174.700 -0.271 0.000 1.051 40 T CA -0.268 61.434 62.100 -0.665 0.000 1.141 40 T CB 0.036 68.412 68.868 -0.819 0.000 0.881 40 T HN 0.211 nan 8.240 nan 0.000 0.461 41 L N 2.877 124.129 121.223 0.049 0.000 2.505 41 L HA 0.554 4.894 4.340 -0.000 0.000 0.279 41 L C -0.525 176.502 176.870 0.261 0.000 1.211 41 L CA -0.068 54.945 54.840 0.288 0.000 1.059 41 L CB -0.336 41.843 42.059 0.201 0.000 1.340 41 L HN 0.458 nan 8.230 nan 0.000 0.447 42 M N 5.436 125.199 119.600 0.270 0.000 2.277 42 M HA 0.599 5.079 4.480 -0.000 0.000 0.282 42 M C -2.037 174.362 176.300 0.165 0.000 1.074 42 M CA -0.430 55.020 55.300 0.248 0.000 0.954 42 M CB 1.910 34.610 32.600 0.165 0.000 1.672 42 M HN -0.048 nan 8.290 nan 0.000 0.471 43 V N 6.246 126.235 119.914 0.125 0.000 2.488 43 V HA 0.654 4.774 4.120 -0.000 0.000 0.293 43 V C -0.405 175.635 176.094 -0.089 0.000 1.027 43 V CA -0.202 61.985 62.300 -0.187 0.000 0.862 43 V CB 1.227 32.529 31.823 -0.868 0.000 1.008 43 V HN 1.014 nan 8.190 nan 0.000 0.428 44 E N 4.434 124.560 120.200 -0.123 0.000 3.812 44 E HA 0.404 4.754 4.350 -0.000 0.000 0.195 44 E C 1.428 178.002 176.600 -0.043 0.000 1.229 44 E CA 0.220 56.588 56.400 -0.053 0.000 0.844 44 E CB 0.481 30.205 29.700 0.039 0.000 3.096 44 E HN 0.402 nan 8.360 nan 0.000 0.617 45 A N 1.675 124.506 122.820 0.019 0.000 1.855 45 A HA 0.182 4.501 4.320 -0.000 0.000 0.213 45 A C -1.516 176.190 177.584 0.203 0.000 1.195 45 A CA 1.053 53.209 52.037 0.199 0.000 0.610 45 A CB -1.358 17.800 19.000 0.265 0.000 0.837 45 A HN 0.310 nan 8.150 nan 0.000 0.444 46 P HA 0.255 nan 4.420 nan 0.000 0.282 46 P C -1.355 175.901 177.300 -0.074 0.000 1.259 46 P CA -0.040 63.028 63.100 -0.054 0.000 0.826 46 P CB 1.213 32.809 31.700 -0.174 0.000 1.064 47 D N -0.611 119.795 120.400 0.011 0.000 2.424 47 D HA 0.117 4.757 4.640 -0.000 0.000 0.220 47 D C -0.541 175.928 176.300 0.282 0.000 1.150 47 D CA -0.244 53.806 54.000 0.083 0.000 0.831 47 D CB -0.521 40.385 40.800 0.175 0.000 0.981 47 D HN 0.241 nan 8.370 nan 0.000 0.500 48 Y N -0.565 119.720 120.300 -0.025 0.000 2.482 48 Y HA 0.485 5.035 4.550 -0.000 0.000 0.334 48 Y C 1.155 176.962 175.900 -0.154 0.000 1.091 48 Y CA -1.061 56.909 58.100 -0.217 0.000 1.027 48 Y CB 1.840 39.928 38.460 -0.621 0.000 1.306 48 Y HN -0.139 nan 8.280 nan 0.000 0.446 49 G N 2.212 110.596 108.800 -0.693 0.000 2.450 49 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.220 49 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.220 49 G C 0.731 175.454 174.900 -0.295 0.000 1.130 49 G CA 0.904 45.763 45.100 -0.402 0.000 0.760 49 G HN 0.850 nan 8.290 nan 0.000 0.557 50 H N -1.249 117.242 119.070 -0.966 0.000 2.538 50 H HA 0.380 4.936 4.556 -0.000 0.000 0.286 50 H C 0.135 175.433 175.328 -0.051 0.000 1.035 50 H CA -0.780 54.917 56.048 -0.585 0.000 1.169 50 H CB 0.660 29.900 29.762 -0.869 0.000 1.417 50 H HN 0.172 nan 8.280 nan 0.000 0.567 51 V N 0.587 120.566 119.914 0.109 0.000 2.837 51 V HA 0.307 4.427 4.120 -0.000 0.000 0.310 51 V C 0.156 176.320 176.094 0.116 0.000 1.059 51 V CA -0.055 62.332 62.300 0.145 0.000 1.004 51 V CB 2.131 34.035 31.823 0.135 0.000 1.045 51 V HN 0.177 nan 8.190 nan 0.000 0.465 52 T N 2.511 117.102 114.554 0.060 0.000 2.887 52 T HA 0.760 5.110 4.350 -0.000 0.000 0.292 52 T C -0.520 174.188 174.700 0.014 0.000 1.087 52 T CA 0.196 62.333 62.100 0.061 0.000 1.009 52 T CB 1.676 70.536 68.868 -0.012 0.000 1.203 52 T HN 1.147 nan 8.240 nan 0.000 0.518 53 T N -1.207 113.399 114.554 0.087 0.000 2.901 53 T HA 0.461 4.811 4.350 -0.000 0.000 0.293 53 T C 1.386 176.159 174.700 0.122 0.000 1.084 53 T CA -0.011 62.146 62.100 0.095 0.000 1.008 53 T CB 1.242 70.254 68.868 0.241 0.000 1.170 53 T HN 0.559 nan 8.240 nan 0.000 0.509 54 S N -0.313 115.465 115.700 0.131 0.000 2.442 54 S HA -0.160 4.310 4.470 -0.000 0.000 0.236 54 S C 1.670 176.337 174.600 0.113 0.000 1.007 54 S CA 1.117 59.377 58.200 0.101 0.000 0.965 54 S CB -0.727 62.531 63.200 0.096 0.000 0.773 54 S HN 0.889 nan 8.310 nan 0.000 0.504 55 E N 2.202 122.498 120.200 0.159 0.000 2.051 55 E HA -0.161 4.188 4.350 -0.000 0.000 0.192 55 E C 2.127 178.938 176.600 0.352 0.000 0.991 55 E CA 1.123 57.628 56.400 0.174 0.000 0.799 55 E CB -0.580 29.225 29.700 0.174 0.000 0.748 55 E HN 0.616 nan 8.360 nan 0.000 0.449 56 A N 1.103 124.138 122.820 0.359 0.000 1.902 56 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 56 A C 2.224 180.047 177.584 0.398 0.000 1.181 56 A CA 1.720 54.023 52.037 0.442 0.000 0.623 56 A CB -0.421 18.719 19.000 0.235 0.000 0.818 56 A HN 0.310 nan 8.150 nan 0.000 0.443 57 M N 0.844 120.578 119.600 0.223 0.000 2.117 57 M HA -0.129 4.351 4.480 -0.000 0.000 0.262 57 M C 2.466 178.887 176.300 0.202 0.000 1.065 57 M CA 2.058 57.479 55.300 0.201 0.000 1.114 57 M CB -1.657 30.981 32.600 0.063 0.000 1.361 57 M HN 0.673 nan 8.290 nan 0.000 0.408 58 S N -0.788 114.993 115.700 0.134 0.000 2.402 58 S HA -0.142 4.327 4.470 -0.000 0.000 0.229 58 S C 1.971 176.680 174.600 0.182 0.000 1.021 58 S CA 0.802 59.025 58.200 0.038 0.000 0.974 58 S CB -0.841 62.305 63.200 -0.089 0.000 0.800 58 S HN 0.410 nan 8.310 nan 0.000 0.484 59 Y N 0.279 120.800 120.300 0.369 0.000 2.314 59 Y HA 0.048 4.598 4.550 -0.000 0.000 0.293 59 Y C 2.456 178.738 175.900 0.637 0.000 1.129 59 Y CA 0.931 59.347 58.100 0.526 0.000 1.201 59 Y CB -0.560 38.198 38.460 0.496 0.000 0.999 59 Y HN 0.379 nan 8.280 nan 0.000 0.541 60 Y N 0.096 120.802 120.300 0.677 0.000 2.242 60 Y HA -0.265 4.285 4.550 -0.000 0.000 0.291 60 Y C 2.013 178.213 175.900 0.500 0.000 1.137 60 Y CA 1.300 59.786 58.100 0.642 0.000 1.181 60 Y CB -0.634 38.092 38.460 0.443 0.000 0.989 60 Y HN 0.117 nan 8.280 nan 0.000 0.527 61 M N -2.000 117.779 119.600 0.299 0.000 2.132 61 M HA -0.237 4.243 4.480 -0.000 0.000 0.263 61 M C 2.012 178.691 176.300 0.631 0.000 1.065 61 M CA 1.787 57.230 55.300 0.240 0.000 1.122 61 M CB -0.791 31.846 32.600 0.062 0.000 1.365 61 M HN 0.366 nan 8.290 nan 0.000 0.411 62 W N 1.208 122.729 121.300 0.368 0.000 2.358 62 W HA -0.182 4.478 4.660 -0.000 0.000 0.303 62 W C 2.132 178.914 176.519 0.438 0.000 1.208 62 W CA 1.311 58.876 57.345 0.367 0.000 1.274 62 W CB -0.898 28.698 29.460 0.228 0.000 1.138 62 W HN 0.155 nan 8.180 nan 0.000 0.515 63 L N 1.298 122.925 121.223 0.673 0.000 2.017 63 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 63 L C 2.319 179.593 176.870 0.674 0.000 1.073 63 L CA 2.231 57.442 54.840 0.619 0.000 0.745 63 L CB -1.031 41.394 42.059 0.609 0.000 0.894 63 L HN -0.189 nan 8.230 nan 0.000 0.432 64 E N -0.078 120.518 120.200 0.661 0.000 2.150 64 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 64 E C 2.183 179.102 176.600 0.532 0.000 0.985 64 E CA 1.141 57.912 56.400 0.618 0.000 0.814 64 E CB -0.403 29.606 29.700 0.515 0.000 0.752 64 E HN 0.654 nan 8.360 nan 0.000 0.466 65 A N 1.033 124.204 122.820 0.584 0.000 1.898 65 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 65 A C 2.199 179.980 177.584 0.329 0.000 1.181 65 A CA 1.748 54.026 52.037 0.403 0.000 0.620 65 A CB -0.393 18.876 19.000 0.449 0.000 0.819 65 A HN 0.202 nan 8.150 nan 0.000 0.442 66 M N -0.888 118.859 119.600 0.244 0.000 2.159 66 M HA -0.124 4.356 4.480 -0.000 0.000 0.263 66 M C 1.867 177.848 176.300 -0.531 0.000 1.063 66 M CA 2.262 57.329 55.300 -0.389 0.000 1.110 66 M CB -0.712 31.607 32.600 -0.468 0.000 1.374 66 M HN 0.651 nan 8.290 nan 0.000 0.411 67 H N -0.773 118.225 119.070 -0.121 0.000 2.387 67 H HA 0.071 4.626 4.556 -0.000 0.000 0.299 67 H C 1.872 176.982 175.328 -0.364 0.000 1.090 67 H CA 2.123 58.083 56.048 -0.147 0.000 1.332 67 H CB -0.681 28.831 29.762 -0.416 0.000 1.386 67 H HN 0.429 nan 8.280 nan 0.000 0.516 68 G N 0.013 108.419 108.800 -0.658 0.000 2.408 68 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.217 68 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.217 68 G C 1.871 176.120 174.900 -1.084 0.000 1.150 68 G CA 0.744 45.000 45.100 -1.407 0.000 0.776 68 G HN 0.392 nan 8.290 nan 0.000 0.542 69 R N 0.114 120.159 120.500 -0.759 0.000 2.081 69 R HA -0.007 4.333 4.340 -0.000 0.000 0.235 69 R C 1.904 177.761 176.300 -0.739 0.000 1.131 69 R CA 1.414 57.037 56.100 -0.796 0.000 0.960 69 R CB -0.726 28.604 30.300 -1.617 0.000 0.856 69 R HN 0.358 nan 8.270 nan 0.000 0.436 70 F N -0.462 119.192 119.950 -0.493 0.000 2.619 70 F HA 0.201 4.728 4.527 -0.000 0.000 0.293 70 F C 2.336 177.960 175.800 -0.294 0.000 1.119 70 F CA 0.913 58.703 58.000 -0.349 0.000 1.445 70 F CB -0.188 38.640 39.000 -0.286 0.000 1.119 70 F HN 0.209 nan 8.300 nan 0.000 0.573 71 S N -1.375 114.152 115.700 -0.287 0.000 2.497 71 S HA 0.396 4.866 4.470 -0.000 0.000 0.218 71 S C 1.904 176.373 174.600 -0.218 0.000 1.023 71 S CA 0.540 58.569 58.200 -0.285 0.000 0.913 71 S CB 0.215 63.073 63.200 -0.570 0.000 0.800 71 S HN 0.476 nan 8.310 nan 0.000 0.505 72 G N 1.199 109.834 108.800 -0.275 0.000 2.176 72 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.253 72 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.253 72 G C -0.270 174.614 174.900 -0.026 0.000 0.979 72 G CA 0.257 45.316 45.100 -0.070 0.000 0.641 72 G HN 0.740 nan 8.290 nan 0.000 0.530 73 D N -0.535 119.729 120.400 -0.226 0.000 2.329 73 D HA 0.625 5.265 4.640 -0.000 0.000 0.232 73 D C 0.476 176.686 176.300 -0.150 0.000 1.088 73 D CA -0.909 53.059 54.000 -0.053 0.000 0.835 73 D CB 0.187 40.995 40.800 0.012 0.000 1.078 73 D HN -0.007 nan 8.370 nan 0.000 0.495 74 F N 1.404 121.430 119.950 0.126 0.000 2.639 74 F HA 0.094 4.620 4.527 -0.000 0.000 0.302 74 F C 2.355 178.322 175.800 0.278 0.000 1.097 74 F CA -0.051 58.079 58.000 0.216 0.000 1.294 74 F CB 0.179 39.289 39.000 0.183 0.000 1.027 74 F HN 0.411 nan 8.300 nan 0.000 0.550 75 T N -3.043 111.719 114.554 0.347 0.000 2.833 75 T HA -0.095 4.254 4.350 -0.000 0.000 0.269 75 T C 2.395 177.263 174.700 0.281 0.000 1.054 75 T CA 1.327 63.595 62.100 0.279 0.000 1.135 75 T CB -0.746 68.245 68.868 0.205 0.000 0.869 75 T HN 0.316 nan 8.240 nan 0.000 0.466 76 G N 0.223 109.216 108.800 0.321 0.000 2.408 76 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.217 76 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.217 76 G C 1.216 176.294 174.900 0.297 0.000 1.150 76 G CA 0.524 45.812 45.100 0.313 0.000 0.776 76 G HN 0.495 nan 8.290 nan 0.000 0.542 77 F N 1.942 122.047 119.950 0.258 0.000 2.113 77 F HA 0.001 4.528 4.527 -0.000 0.000 0.297 77 F C 2.150 178.118 175.800 0.280 0.000 1.103 77 F CA 1.604 59.767 58.000 0.272 0.000 1.248 77 F CB -0.045 39.207 39.000 0.420 0.000 0.999 77 F HN 0.058 nan 8.300 nan 0.000 0.475 78 D N 0.382 120.953 120.400 0.284 0.000 2.178 78 D HA -0.191 4.448 4.640 -0.000 0.000 0.201 78 D C 2.160 178.520 176.300 0.100 0.000 0.980 78 D CA 1.081 55.179 54.000 0.163 0.000 0.842 78 D CB -0.336 40.589 40.800 0.209 0.000 0.948 78 D HN 0.344 nan 8.370 nan 0.000 0.472 79 K N 0.771 121.232 120.400 0.101 0.000 2.097 79 K HA -0.110 4.210 4.320 -0.000 0.000 0.205 79 K C 2.143 178.761 176.600 0.030 0.000 1.050 79 K CA 1.250 57.591 56.287 0.090 0.000 0.938 79 K CB 0.110 32.685 32.500 0.124 0.000 0.718 79 K HN 0.088 nan 8.250 nan 0.000 0.442 80 S N -0.551 115.049 115.700 -0.168 0.000 2.382 80 S HA -0.172 4.297 4.470 -0.000 0.000 0.228 80 S C 1.789 176.233 174.600 -0.260 0.000 1.027 80 S CA 0.812 58.755 58.200 -0.428 0.000 0.991 80 S CB -0.702 61.898 63.200 -0.999 0.000 0.823 80 S HN 0.502 nan 8.310 nan 0.000 0.469 81 W N 1.879 123.026 121.300 -0.255 0.000 2.418 81 W HA 0.123 4.783 4.660 -0.000 0.000 0.292 81 W C 2.910 179.395 176.519 -0.055 0.000 1.213 81 W CA 0.951 58.199 57.345 -0.163 0.000 1.283 81 W CB -0.292 29.039 29.460 -0.214 0.000 1.119 81 W HN 0.272 nan 8.180 nan 0.000 0.542 82 S N -0.094 115.719 115.700 0.188 0.000 2.368 82 S HA -0.174 4.296 4.470 -0.000 0.000 0.224 82 S C 1.800 176.448 174.600 0.081 0.000 1.029 82 S CA 1.428 59.703 58.200 0.125 0.000 0.988 82 S CB -0.689 62.566 63.200 0.092 0.000 0.838 82 S HN 0.026 nan 8.310 nan 0.000 0.462 83 V N 1.717 121.701 119.914 0.118 0.000 2.358 83 V HA -0.157 3.963 4.120 -0.000 0.000 0.246 83 V C 2.501 178.686 176.094 0.152 0.000 1.047 83 V CA 1.956 64.369 62.300 0.188 0.000 1.035 83 V CB -1.276 30.726 31.823 0.300 0.000 0.658 83 V HN 0.493 nan 8.190 nan 0.000 0.452 84 T N -0.383 114.218 114.554 0.077 0.000 2.652 84 T HA -0.269 4.081 4.350 -0.000 0.000 0.267 84 T C 1.890 176.609 174.700 0.032 0.000 1.039 84 T CA 1.990 64.097 62.100 0.013 0.000 1.153 84 T CB -0.224 68.532 68.868 -0.186 0.000 0.863 84 T HN 0.636 nan 8.240 nan 0.000 0.428 85 E N 0.475 120.723 120.200 0.079 0.000 2.150 85 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 85 E C 2.292 178.875 176.600 -0.030 0.000 0.985 85 E CA 0.889 57.328 56.400 0.065 0.000 0.814 85 E CB -0.035 29.773 29.700 0.179 0.000 0.752 85 E HN 0.517 nan 8.360 nan 0.000 0.466 86 Q N -1.186 118.536 119.800 -0.130 0.000 2.137 86 Q HA -0.129 4.210 4.340 -0.000 0.000 0.198 86 Q C 0.858 176.584 176.000 -0.456 0.000 0.960 86 Q CA 1.199 56.774 55.803 -0.380 0.000 0.847 86 Q CB 0.224 28.558 28.738 -0.673 0.000 0.915 86 Q HN 0.391 nan 8.270 nan 0.000 0.448 87 Y N -2.022 118.271 120.300 -0.012 0.000 2.444 87 Y HA 0.141 4.691 4.550 -0.000 0.000 0.252 87 Y C 1.269 177.121 175.900 -0.081 0.000 1.091 87 Y CA -0.127 57.925 58.100 -0.080 0.000 1.276 87 Y CB 0.827 39.224 38.460 -0.104 0.000 1.170 87 Y HN 0.063 nan 8.280 nan 0.000 0.517 88 L N -0.239 121.079 121.223 0.159 0.000 2.672 88 L HA 0.326 4.666 4.340 -0.000 0.000 0.236 88 L C -0.028 176.975 176.870 0.222 0.000 1.092 88 L CA 0.638 55.604 54.840 0.210 0.000 0.887 88 L CB 0.136 42.265 42.059 0.117 0.000 1.168 88 L HN 0.038 nan 8.230 nan 0.000 0.502 89 I N 1.946 122.569 120.570 0.088 0.000 2.328 89 I HA 0.228 4.397 4.170 -0.000 0.000 0.287 89 I C -2.096 173.992 176.117 -0.048 0.000 1.012 89 I CA -1.811 59.457 61.300 -0.054 0.000 1.195 89 I CB 1.551 39.395 38.000 -0.260 0.000 1.350 89 I HN -0.185 nan 8.210 nan 0.000 0.464 90 P HA -0.050 nan 4.420 nan 0.000 0.260 90 P C 0.248 177.436 177.300 -0.186 0.000 1.172 90 P CA 0.234 63.092 63.100 -0.403 0.000 0.760 90 P CB 0.261 31.363 31.700 -0.997 0.000 0.773 91 T N -0.121 114.367 114.554 -0.111 0.000 2.729 91 T HA 0.076 4.426 4.350 -0.000 0.000 0.298 91 T C 1.413 176.061 174.700 -0.086 0.000 1.013 91 T CA -0.331 61.725 62.100 -0.072 0.000 0.957 91 T CB 0.412 69.248 68.868 -0.054 0.000 1.130 91 T HN 0.507 nan 8.240 nan 0.000 0.526 92 E N 0.225 120.392 120.200 -0.055 0.000 2.209 92 E HA -0.169 4.180 4.350 -0.000 0.000 0.196 92 E C 1.707 178.274 176.600 -0.055 0.000 0.993 92 E CA 0.707 57.081 56.400 -0.044 0.000 0.819 92 E CB -0.108 29.579 29.700 -0.022 0.000 0.745 92 E HN 0.392 nan 8.360 nan 0.000 0.477 93 K N 0.741 121.096 120.400 -0.074 0.000 2.228 93 K HA -0.024 4.296 4.320 -0.000 0.000 0.202 93 K C 1.332 177.844 176.600 -0.148 0.000 1.051 93 K CA 0.843 57.070 56.287 -0.099 0.000 0.960 93 K CB 0.104 32.528 32.500 -0.127 0.000 0.743 93 K HN 0.269 nan 8.250 nan 0.000 0.458 94 D N 0.944 121.253 120.400 -0.151 0.000 2.305 94 D HA -0.069 4.571 4.640 -0.000 0.000 0.206 94 D C 0.493 176.659 176.300 -0.223 0.000 0.974 94 D CA 0.578 54.499 54.000 -0.132 0.000 0.871 94 D CB 0.392 41.068 40.800 -0.206 0.000 0.947 94 D HN 0.399 nan 8.370 nan 0.000 0.516 95 Q N 0.708 120.311 119.800 -0.327 0.000 3.230 95 Q HA 0.295 4.634 4.340 -0.000 0.000 0.303 95 Q C -2.855 173.001 176.000 -0.239 0.000 0.884 95 Q CA -1.672 53.801 55.803 -0.550 0.000 0.859 95 Q CB 1.133 29.801 28.738 -0.117 0.000 1.432 95 Q HN -0.170 nan 8.270 nan 0.000 0.403 96 P HA -0.139 nan 4.420 nan 0.000 0.257 96 P C -0.123 177.207 177.300 0.051 0.000 1.162 96 P CA 0.612 63.710 63.100 -0.002 0.000 0.762 96 P CB 0.744 32.487 31.700 0.072 0.000 0.753 97 N N 2.878 121.605 118.700 0.045 0.000 2.443 97 N HA -0.133 4.607 4.740 -0.000 0.000 0.184 97 N C 1.511 177.067 175.510 0.077 0.000 1.037 97 N CA 1.654 54.741 53.050 0.062 0.000 0.896 97 N CB -0.323 38.193 38.487 0.047 0.000 0.959 97 N HN 0.441 nan 8.380 nan 0.000 0.442 98 T N -3.963 110.635 114.554 0.074 0.000 2.833 98 T HA -0.020 4.330 4.350 -0.000 0.000 0.269 98 T C 1.955 176.706 174.700 0.084 0.000 1.054 98 T CA 1.432 63.577 62.100 0.075 0.000 1.135 98 T CB -0.367 68.543 68.868 0.070 0.000 0.869 98 T HN -0.011 nan 8.240 nan 0.000 0.466 99 S N 0.555 116.313 115.700 0.096 0.000 2.427 99 S HA 0.219 4.688 4.470 -0.000 0.000 0.224 99 S C 2.046 176.715 174.600 0.115 0.000 1.047 99 S CA 0.392 58.635 58.200 0.072 0.000 0.953 99 S CB -0.182 63.043 63.200 0.043 0.000 0.824 99 S HN 0.253 nan 8.310 nan 0.000 0.502 100 M N 2.157 121.851 119.600 0.156 0.000 2.213 100 M HA -0.017 4.463 4.480 -0.000 0.000 0.263 100 M C 2.209 178.600 176.300 0.153 0.000 1.062 100 M CA 1.189 56.579 55.300 0.151 0.000 1.105 100 M CB -1.815 30.860 32.600 0.125 0.000 1.385 100 M HN 0.428 nan 8.290 nan 0.000 0.417 101 S N -0.576 115.202 115.700 0.130 0.000 2.555 101 S HA -0.010 4.459 4.470 -0.000 0.000 0.230 101 S C 1.612 176.299 174.600 0.145 0.000 0.978 101 S CA 0.432 58.709 58.200 0.128 0.000 0.934 101 S CB -0.177 63.080 63.200 0.095 0.000 0.766 101 S HN 0.307 nan 8.310 nan 0.000 0.533 102 R N 0.311 120.909 120.500 0.163 0.000 2.334 102 R HA 0.287 4.627 4.340 -0.000 0.000 0.220 102 R C -0.293 176.128 176.300 0.202 0.000 0.917 102 R CA -0.401 55.797 56.100 0.163 0.000 1.073 102 R CB -1.037 29.364 30.300 0.168 0.000 1.056 102 R HN 0.610 nan 8.270 nan 0.000 0.506 103 Y N 1.889 122.248 120.300 0.099 0.000 2.712 103 Y HA -0.054 4.496 4.550 -0.000 0.000 0.333 103 Y C -0.079 175.868 175.900 0.078 0.000 1.225 103 Y CA -0.418 57.743 58.100 0.102 0.000 1.499 103 Y CB 0.388 38.894 38.460 0.076 0.000 1.288 103 Y HN -0.086 nan 8.280 nan 0.000 0.575 104 D N 5.125 125.177 120.400 -0.579 0.000 2.460 104 D HA 0.346 4.986 4.640 -0.000 0.000 0.232 104 D C 0.506 176.326 176.300 -0.800 0.000 1.079 104 D CA 0.140 53.849 54.000 -0.484 0.000 0.864 104 D CB 1.080 41.747 40.800 -0.222 0.000 1.048 104 D HN 0.741 nan 8.370 nan 0.000 0.523 105 A N 4.236 126.678 122.820 -0.629 0.000 2.131 105 A HA -0.181 4.139 4.320 -0.000 0.000 0.220 105 A C 1.633 179.013 177.584 -0.339 0.000 1.158 105 A CA 0.971 52.742 52.037 -0.442 0.000 0.665 105 A CB -0.187 18.721 19.000 -0.153 0.000 0.795 105 A HN 0.581 nan 8.150 nan 0.000 0.460 106 N N -0.916 117.626 118.700 -0.262 0.000 2.412 106 N HA 0.022 4.762 4.740 -0.000 0.000 0.184 106 N C 0.131 175.547 175.510 -0.156 0.000 1.101 106 N CA 0.524 53.465 53.050 -0.183 0.000 0.881 106 N CB 0.385 38.799 38.487 -0.122 0.000 0.969 106 N HN 0.140 nan 8.380 nan 0.000 0.459 107 K N 0.394 120.684 120.400 -0.185 0.000 3.088 107 K HA 0.258 4.578 4.320 -0.000 0.000 0.193 107 K C -2.208 174.343 176.600 -0.081 0.000 1.176 107 K CA -1.437 54.795 56.287 -0.090 0.000 0.907 107 K CB 1.508 33.974 32.500 -0.057 0.000 1.139 107 K HN -0.186 nan 8.250 nan 0.000 0.597 108 P HA -0.112 nan 4.420 nan 0.000 0.216 108 P C -0.099 177.460 177.300 0.431 0.000 1.150 108 P CA 0.901 64.091 63.100 0.150 0.000 0.843 108 P CB 0.467 32.268 31.700 0.167 0.000 0.787 109 A N -3.347 119.705 122.820 0.385 0.000 2.467 109 A HA 0.588 4.908 4.320 -0.000 0.000 0.301 109 A C -1.212 176.528 177.584 0.260 0.000 1.126 109 A CA -0.449 51.836 52.037 0.413 0.000 0.632 109 A CB 0.372 19.713 19.000 0.568 0.000 1.331 109 A HN -0.193 nan 8.150 nan 0.000 0.482 110 T N 0.895 115.536 114.554 0.145 0.000 2.797 110 T HA 0.507 4.856 4.350 -0.000 0.000 0.279 110 T C -0.634 173.988 174.700 -0.129 0.000 0.991 110 T CA 0.029 62.135 62.100 0.009 0.000 0.979 110 T CB 0.670 69.508 68.868 -0.050 0.000 0.943 110 T HN 0.600 nan 8.240 nan 0.000 0.444 111 Y N 2.824 122.860 120.300 -0.439 0.000 2.610 111 Y HA 0.376 4.926 4.550 -0.000 0.000 0.332 111 Y C -0.088 175.582 175.900 -0.382 0.000 1.201 111 Y CA -0.315 57.303 58.100 -0.804 0.000 1.465 111 Y CB 0.156 38.284 38.460 -0.554 0.000 1.283 111 Y HN 0.758 nan 8.280 nan 0.000 0.563 112 A N 8.477 130.578 122.820 -1.197 0.000 2.459 112 A HA 0.565 4.884 4.320 -0.000 0.000 0.296 112 A C -2.970 174.010 177.584 -1.006 0.000 1.039 112 A CA -1.679 49.880 52.037 -0.797 0.000 0.698 112 A CB 1.318 20.139 19.000 -0.299 0.000 1.261 112 A HN 0.568 nan 8.150 nan 0.000 0.405 113 P HA 0.346 nan 4.420 nan 0.000 0.276 113 P C -0.697 176.154 177.300 -0.748 0.000 1.244 113 P CA 0.012 62.686 63.100 -0.709 0.000 0.801 113 P CB 1.034 32.369 31.700 -0.608 0.000 1.006 114 E N 0.423 120.256 120.200 -0.613 0.000 2.202 114 E HA 0.514 4.863 4.350 -0.000 0.000 0.272 114 E C -0.858 175.367 176.600 -0.626 0.000 0.951 114 E CA -0.422 55.738 56.400 -0.399 0.000 0.813 114 E CB 0.905 30.542 29.700 -0.104 0.000 1.151 114 E HN 0.331 nan 8.360 nan 0.000 0.398 115 F N 0.584 120.532 119.950 -0.003 0.000 2.579 115 F HA 0.203 4.729 4.527 -0.000 0.000 0.324 115 F C 0.912 176.762 175.800 0.083 0.000 1.058 115 F CA -0.798 57.184 58.000 -0.030 0.000 0.944 115 F CB 1.598 40.481 39.000 -0.196 0.000 1.245 115 F HN 0.289 nan 8.300 nan 0.000 0.477 116 Q N 0.182 120.123 119.800 0.235 0.000 2.444 116 Q HA 0.105 4.445 4.340 -0.000 0.000 0.206 116 Q C -0.943 175.128 176.000 0.119 0.000 0.948 116 Q CA 0.385 56.258 55.803 0.118 0.000 0.946 116 Q CB -0.047 28.721 28.738 0.049 0.000 1.027 116 Q HN 0.554 nan 8.270 nan 0.000 0.513 117 D N -2.250 118.250 120.400 0.166 0.000 2.990 117 D HA 0.227 4.867 4.640 -0.000 0.000 0.227 117 D C -2.220 174.168 176.300 0.145 0.000 1.249 117 D CA -1.951 52.103 54.000 0.090 0.000 0.891 117 D CB 1.758 42.551 40.800 -0.011 0.000 1.647 117 D HN -0.296 nan 8.370 nan 0.000 0.530 118 P HA -0.126 nan 4.420 nan 0.000 0.221 118 P C 0.991 178.220 177.300 -0.118 0.000 1.145 118 P CA 0.882 64.048 63.100 0.110 0.000 0.795 118 P CB 0.120 31.874 31.700 0.091 0.000 0.775 119 S N -1.500 113.864 115.700 -0.561 0.000 2.555 119 S HA -0.025 4.445 4.470 -0.000 0.000 0.230 119 S C 1.640 175.843 174.600 -0.662 0.000 0.978 119 S CA 0.690 58.039 58.200 -1.418 0.000 0.934 119 S CB -0.661 61.888 63.200 -1.086 0.000 0.766 119 S HN 0.036 nan 8.310 nan 0.000 0.533 120 K N 0.342 120.553 120.400 -0.316 0.000 2.426 120 K HA 0.229 4.549 4.320 -0.000 0.000 0.193 120 K C -0.505 175.887 176.600 -0.346 0.000 1.028 120 K CA 0.150 56.155 56.287 -0.470 0.000 1.047 120 K CB -0.116 31.869 32.500 -0.858 0.000 0.821 120 K HN 0.505 nan 8.250 nan 0.000 0.513 121 Y N 1.798 122.081 120.300 -0.028 0.000 2.354 121 Y HA 0.198 4.748 4.550 -0.000 0.000 0.322 121 Y C -1.792 174.193 175.900 0.142 0.000 1.253 121 Y CA -2.753 55.432 58.100 0.141 0.000 1.272 121 Y CB 0.060 38.662 38.460 0.236 0.000 1.255 121 Y HN -0.034 nan 8.280 nan 0.000 0.500 122 P HA -0.034 nan 4.420 nan 0.000 0.269 122 P C -0.488 176.906 177.300 0.157 0.000 1.209 122 P CA -0.074 63.175 63.100 0.248 0.000 0.776 122 P CB 1.126 32.904 31.700 0.130 0.000 0.876 123 S N 3.301 119.110 115.700 0.181 0.000 2.513 123 S HA 0.378 4.848 4.470 -0.000 0.000 0.276 123 S C -2.271 172.368 174.600 0.066 0.000 1.254 123 S CA -1.821 56.443 58.200 0.106 0.000 1.053 123 S CB -0.041 63.141 63.200 -0.029 0.000 0.958 123 S HN 0.294 nan 8.310 nan 0.000 0.491 124 P HA 0.234 nan 4.420 nan 0.000 0.287 124 P C -0.676 176.607 177.300 -0.029 0.000 1.281 124 P CA -0.425 62.687 63.100 0.021 0.000 0.781 124 P CB 0.534 32.260 31.700 0.044 0.000 0.903 125 L N 3.223 124.420 121.223 -0.043 0.000 2.426 125 L HA 0.239 4.579 4.340 -0.000 0.000 0.271 125 L C 0.879 177.733 176.870 -0.028 0.000 1.169 125 L CA 0.490 55.287 54.840 -0.072 0.000 0.836 125 L CB 0.148 42.157 42.059 -0.084 0.000 1.112 125 L HN 0.363 nan 8.230 nan 0.000 0.465 126 D N 0.812 121.216 120.400 0.006 0.000 2.421 126 D HA 0.106 4.746 4.640 -0.000 0.000 0.254 126 D C 0.934 177.254 176.300 0.033 0.000 1.238 126 D CA -0.391 53.639 54.000 0.051 0.000 0.919 126 D CB 1.449 42.333 40.800 0.139 0.000 1.152 126 D HN 0.602 nan 8.370 nan 0.000 0.552 127 T N -0.435 114.116 114.554 -0.006 0.000 3.051 127 T HA -0.137 4.213 4.350 -0.000 0.000 0.269 127 T C 1.612 176.300 174.700 -0.020 0.000 1.127 127 T CA 1.197 63.286 62.100 -0.018 0.000 1.107 127 T CB -0.110 68.739 68.868 -0.032 0.000 0.898 127 T HN 0.240 nan 8.240 nan 0.000 0.517 128 S N -0.029 115.660 115.700 -0.018 0.000 2.527 128 S HA 0.095 4.565 4.470 -0.000 0.000 0.222 128 S C 0.877 175.441 174.600 -0.060 0.000 0.985 128 S CA -0.421 57.759 58.200 -0.032 0.000 0.921 128 S CB -0.265 62.920 63.200 -0.025 0.000 0.772 128 S HN 0.366 nan 8.310 nan 0.000 0.529 129 Q N 2.696 122.448 119.800 -0.080 0.000 2.288 129 Q HA 0.449 4.789 4.340 -0.000 0.000 0.254 129 Q C -2.616 173.288 176.000 -0.161 0.000 0.932 129 Q CA -2.237 53.452 55.803 -0.191 0.000 0.902 129 Q CB 0.147 28.637 28.738 -0.412 0.000 1.203 129 Q HN 0.238 nan 8.270 nan 0.000 0.415 130 P HA 0.062 nan 4.420 nan 0.000 0.266 130 P C -0.876 176.382 177.300 -0.070 0.000 1.195 130 P CA 0.047 63.080 63.100 -0.113 0.000 0.768 130 P CB 0.587 32.210 31.700 -0.129 0.000 0.838 131 V N 2.403 122.324 119.914 0.011 0.000 2.733 131 V HA 0.546 4.666 4.120 -0.000 0.000 0.306 131 V C 0.709 176.868 176.094 0.108 0.000 1.084 131 V CA -0.563 61.814 62.300 0.128 0.000 0.905 131 V CB 1.954 33.878 31.823 0.169 0.000 1.010 131 V HN 0.758 nan 8.190 nan 0.000 0.424 132 G N 3.579 112.494 108.800 0.191 0.000 2.588 132 G HA2 0.480 4.440 3.960 -0.000 0.000 0.278 132 G HA3 0.480 4.440 3.960 -0.000 0.000 0.278 132 G C -0.273 174.603 174.900 -0.039 0.000 1.307 132 G CA -0.641 44.535 45.100 0.126 0.000 1.016 132 G HN 0.665 nan 8.290 nan 0.000 0.503 133 R N -0.276 120.154 120.500 -0.117 0.000 2.428 133 R HA 0.269 4.608 4.340 -0.000 0.000 0.294 133 R C -1.083 174.890 176.300 -0.544 0.000 1.000 133 R CA -0.718 55.209 56.100 -0.287 0.000 0.960 133 R CB 1.518 31.719 30.300 -0.165 0.000 1.076 133 R HN 0.476 nan 8.270 nan 0.000 0.475 134 D N 3.697 123.667 120.400 -0.717 0.000 2.347 134 D HA 0.106 4.746 4.640 -0.000 0.000 0.235 134 D C -1.513 174.524 176.300 -0.439 0.000 1.149 134 D CA -2.237 51.281 54.000 -0.805 0.000 0.850 134 D CB 1.304 41.776 40.800 -0.547 0.000 1.061 134 D HN 0.281 nan 8.370 nan 0.000 0.487 135 P HA 0.056 nan 4.420 nan 0.000 0.251 135 P C 1.326 178.430 177.300 -0.327 0.000 1.223 135 P CA 0.280 63.153 63.100 -0.378 0.000 0.796 135 P CB 0.134 31.526 31.700 -0.514 0.000 1.068 136 I N -4.681 115.647 120.570 -0.404 0.000 3.854 136 I HA 0.159 4.329 4.170 -0.000 0.000 0.312 136 I C 1.985 177.972 176.117 -0.217 0.000 1.273 136 I CA 0.042 61.157 61.300 -0.309 0.000 1.298 136 I CB -0.705 37.033 38.000 -0.437 0.000 1.071 136 I HN -0.237 nan 8.210 nan 0.000 0.428 137 N N 2.638 121.268 118.700 -0.116 0.000 2.061 137 N HA -0.243 4.497 4.740 -0.000 0.000 0.193 137 N C 2.007 177.533 175.510 0.026 0.000 1.030 137 N CA 2.460 55.541 53.050 0.052 0.000 0.856 137 N CB 0.016 38.648 38.487 0.243 0.000 1.023 137 N HN 0.632 nan 8.380 nan 0.000 0.424 138 S N 0.205 115.904 115.700 -0.001 0.000 2.399 138 S HA -0.145 4.325 4.470 -0.000 0.000 0.231 138 S C 1.872 176.455 174.600 -0.028 0.000 1.022 138 S CA 0.872 59.070 58.200 -0.003 0.000 0.983 138 S CB -0.393 62.799 63.200 -0.014 0.000 0.803 138 S HN 0.416 nan 8.310 nan 0.000 0.480 139 Q N 0.917 120.685 119.800 -0.054 0.000 2.079 139 Q HA 0.070 4.409 4.340 -0.000 0.000 0.200 139 Q C 2.306 178.243 176.000 -0.105 0.000 0.974 139 Q CA 1.522 57.280 55.803 -0.075 0.000 0.840 139 Q CB -0.455 28.241 28.738 -0.071 0.000 0.898 139 Q HN 0.554 nan 8.270 nan 0.000 0.430 140 L N 0.267 121.434 121.223 -0.094 0.000 2.072 140 L HA -0.138 4.201 4.340 -0.000 0.000 0.205 140 L C 2.779 179.693 176.870 0.073 0.000 1.079 140 L CA 1.544 56.352 54.840 -0.055 0.000 0.752 140 L CB -0.895 41.071 42.059 -0.155 0.000 0.906 140 L HN 0.374 nan 8.230 nan 0.000 0.436 141 T N -4.029 110.567 114.554 0.070 0.000 2.788 141 T HA -0.202 4.148 4.350 -0.000 0.000 0.268 141 T C 2.078 176.792 174.700 0.024 0.000 1.044 141 T CA 1.455 63.608 62.100 0.089 0.000 1.139 141 T CB -0.421 68.495 68.868 0.081 0.000 0.867 141 T HN 0.233 nan 8.240 nan 0.000 0.454 142 S N 1.368 117.051 115.700 -0.029 0.000 2.368 142 S HA 0.102 4.571 4.470 -0.000 0.000 0.224 142 S C 2.406 176.923 174.600 -0.140 0.000 1.029 142 S CA 1.124 59.284 58.200 -0.066 0.000 0.988 142 S CB -0.841 62.318 63.200 -0.068 0.000 0.838 142 S HN 0.735 nan 8.310 nan 0.000 0.462 143 A N -0.438 122.227 122.820 -0.259 0.000 1.930 143 A HA 0.158 4.478 4.320 -0.000 0.000 0.215 143 A C 1.584 178.801 177.584 -0.612 0.000 1.176 143 A CA 1.043 52.770 52.037 -0.517 0.000 0.632 143 A CB -0.591 17.916 19.000 -0.821 0.000 0.819 143 A HN 0.691 nan 8.150 nan 0.000 0.445 144 Y N -1.255 119.038 120.300 -0.012 0.000 2.444 144 Y HA 0.389 4.939 4.550 -0.000 0.000 0.249 144 Y C 1.731 177.639 175.900 0.012 0.000 1.134 144 Y CA -0.304 57.801 58.100 0.009 0.000 1.261 144 Y CB -0.057 38.449 38.460 0.078 0.000 1.143 144 Y HN 0.389 nan 8.280 nan 0.000 0.523 145 G N 1.020 109.879 108.800 0.097 0.000 2.198 145 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.260 145 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.260 145 G C 0.205 175.157 174.900 0.087 0.000 1.025 145 G CA 0.904 46.046 45.100 0.069 0.000 0.769 145 G HN 0.482 nan 8.290 nan 0.000 0.507 146 T N -2.381 112.247 114.554 0.125 0.000 2.840 146 T HA 0.611 4.961 4.350 -0.000 0.000 0.317 146 T C 0.886 175.657 174.700 0.118 0.000 1.401 146 T CA 0.659 62.820 62.100 0.102 0.000 1.028 146 T CB 1.337 70.255 68.868 0.082 0.000 1.317 146 T HN 0.293 nan 8.240 nan 0.000 0.495 147 S N 1.569 117.319 115.700 0.083 0.000 2.540 147 S HA 0.325 4.795 4.470 -0.000 0.000 0.218 147 S C 0.782 175.386 174.600 0.007 0.000 0.977 147 S CA -0.217 58.026 58.200 0.072 0.000 0.918 147 S CB -0.176 63.074 63.200 0.084 0.000 0.806 147 S HN 0.589 nan 8.310 nan 0.000 0.496 148 M N 1.803 121.396 119.600 -0.010 0.000 2.240 148 M HA 0.271 4.751 4.480 -0.000 0.000 0.333 148 M C -0.468 175.663 176.300 -0.282 0.000 1.110 148 M CA 0.330 55.573 55.300 -0.096 0.000 1.173 148 M CB 0.398 32.964 32.600 -0.058 0.000 1.458 148 M HN 0.062 nan 8.290 nan 0.000 0.458 149 L N 1.794 122.700 121.223 -0.528 0.000 2.325 149 L HA 0.317 4.657 4.340 -0.000 0.000 0.279 149 L C -0.951 175.431 176.870 -0.814 0.000 1.054 149 L CA -0.665 53.623 54.840 -0.921 0.000 0.804 149 L CB 0.679 41.947 42.059 -1.318 0.000 1.200 149 L HN 0.571 nan 8.230 nan 0.000 0.436 150 Y N 2.237 121.727 120.300 -1.350 0.000 2.841 150 Y HA 0.606 5.156 4.550 -0.000 0.000 0.329 150 Y C 0.227 175.969 175.900 -0.262 0.000 1.062 150 Y CA -0.410 57.285 58.100 -0.675 0.000 1.281 150 Y CB 0.841 38.912 38.460 -0.648 0.000 1.147 150 Y HN 0.567 nan 8.280 nan 0.000 0.521 151 G N 4.157 112.806 108.800 -0.252 0.000 2.704 151 G HA2 0.393 4.353 3.960 -0.000 0.000 0.293 151 G HA3 0.393 4.353 3.960 -0.000 0.000 0.293 151 G C -1.514 173.404 174.900 0.030 0.000 1.421 151 G CA -1.168 43.933 45.100 0.001 0.000 0.870 151 G HN 0.336 nan 8.290 nan 0.000 0.492 152 M N 1.344 120.981 119.600 0.061 0.000 2.211 152 M HA 0.228 4.708 4.480 -0.000 0.000 0.356 152 M C 0.162 176.574 176.300 0.187 0.000 1.216 152 M CA -0.638 54.718 55.300 0.093 0.000 1.134 152 M CB 1.186 33.818 32.600 0.053 0.000 1.564 152 M HN 0.743 nan 8.290 nan 0.000 0.463 153 H N 3.630 122.782 119.070 0.136 0.000 2.652 153 H HA -0.004 4.552 4.556 -0.000 0.000 0.349 153 H C 0.560 176.017 175.328 0.216 0.000 1.099 153 H CA 0.010 56.151 56.048 0.156 0.000 1.417 153 H CB 0.665 30.492 29.762 0.109 0.000 1.457 153 H HN 0.734 nan 8.280 nan 0.000 0.568 154 W N 5.674 126.649 121.300 -0.541 0.000 2.584 154 W HA 0.096 4.756 4.660 -0.000 0.000 0.264 154 W C -0.664 175.753 176.519 -0.170 0.000 1.264 154 W CA 0.016 57.193 57.345 -0.279 0.000 1.306 154 W CB -0.080 29.266 29.460 -0.189 0.000 1.110 154 W HN 0.402 nan 8.180 nan 0.000 0.606 155 I N 1.247 121.169 120.570 -1.079 0.000 2.686 155 I HA 0.498 4.667 4.170 -0.000 0.000 0.295 155 I C -1.765 174.215 176.117 -0.228 0.000 1.114 155 I CA -1.210 59.592 61.300 -0.831 0.000 1.038 155 I CB 2.167 39.210 38.000 -1.595 0.000 1.238 155 I HN -0.163 nan 8.210 nan 0.000 0.420 156 L N 6.527 127.675 121.223 -0.126 0.000 2.436 156 L HA 0.498 4.837 4.340 -0.000 0.000 0.268 156 L C -1.202 175.667 176.870 -0.002 0.000 0.974 156 L CA -0.243 54.576 54.840 -0.035 0.000 0.826 156 L CB 1.761 43.773 42.059 -0.078 0.000 1.291 156 L HN 0.514 nan 8.230 nan 0.000 0.406 157 D N 3.655 124.083 120.400 0.047 0.000 2.483 157 D HA 0.145 4.785 4.640 -0.000 0.000 0.220 157 D C 1.120 177.466 176.300 0.076 0.000 1.173 157 D CA 0.010 54.091 54.000 0.136 0.000 0.964 157 D CB 0.767 41.703 40.800 0.227 0.000 1.046 157 D HN 0.391 nan 8.370 nan 0.000 0.517 158 V N 2.860 122.817 119.914 0.072 0.000 2.278 158 V HA -0.222 3.898 4.120 -0.000 0.000 0.251 158 V C 1.280 177.400 176.094 0.045 0.000 1.062 158 V CA 1.751 64.064 62.300 0.021 0.000 1.038 158 V CB -0.176 31.697 31.823 0.085 0.000 0.646 158 V HN 0.525 nan 8.190 nan 0.000 0.447 159 D N -0.604 119.881 120.400 0.143 0.000 2.463 159 D HA 0.140 4.779 4.640 -0.000 0.000 0.224 159 D C 0.551 176.910 176.300 0.098 0.000 1.174 159 D CA -0.029 54.044 54.000 0.122 0.000 0.829 159 D CB -0.299 40.611 40.800 0.183 0.000 0.993 159 D HN 0.465 nan 8.370 nan 0.000 0.497 160 N N 0.168 118.920 118.700 0.086 0.000 2.725 160 N HA -0.242 4.497 4.740 -0.000 0.000 0.251 160 N C 0.446 175.963 175.510 0.011 0.000 1.031 160 N CA 0.199 53.277 53.050 0.047 0.000 0.720 160 N CB -1.409 37.081 38.487 0.003 0.000 0.930 160 N HN 0.413 nan 8.380 nan 0.000 0.543 161 W N -0.010 121.171 121.300 -0.198 0.000 2.402 161 W HA 0.013 4.673 4.660 -0.000 0.000 0.286 161 W C 1.330 177.506 176.519 -0.572 0.000 1.221 161 W CA 1.314 58.398 57.345 -0.435 0.000 1.257 161 W CB -0.439 28.605 29.460 -0.694 0.000 1.120 161 W HN 0.452 nan 8.180 nan 0.000 0.551 162 Y N -0.079 120.017 120.300 -0.340 0.000 2.457 162 Y HA 0.165 4.714 4.550 -0.000 0.000 0.292 162 Y C 2.369 177.775 175.900 -0.823 0.000 1.125 162 Y CA 1.549 59.259 58.100 -0.649 0.000 1.254 162 Y CB -0.424 37.746 38.460 -0.482 0.000 1.012 162 Y HN 0.081 nan 8.280 nan 0.000 0.555 163 G N -1.483 107.042 108.800 -0.458 0.000 2.157 163 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.248 163 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.248 163 G C 0.737 175.285 174.900 -0.587 0.000 0.979 163 G CA 0.327 45.141 45.100 -0.477 0.000 0.650 163 G HN 0.323 nan 8.290 nan 0.000 0.529 164 F N 1.209 120.945 119.950 -0.357 0.000 2.456 164 F HA 0.376 4.902 4.527 -0.000 0.000 0.298 164 F C 2.274 177.984 175.800 -0.149 0.000 1.104 164 F CA 1.612 59.328 58.000 -0.472 0.000 1.435 164 F CB -0.487 38.358 39.000 -0.258 0.000 1.078 164 F HN 0.935 nan 8.300 nan 0.000 0.546 165 G N 0.218 109.066 108.800 0.080 0.000 2.601 165 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.252 165 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.252 165 G C -0.299 174.662 174.900 0.102 0.000 1.294 165 G CA -0.506 44.645 45.100 0.084 0.000 0.912 165 G HN 0.742 nan 8.290 nan 0.000 0.574 166 A N -0.374 122.481 122.820 0.058 0.000 2.288 166 A HA 0.781 5.101 4.320 -0.000 0.000 0.320 166 A C 1.043 178.576 177.584 -0.085 0.000 1.217 166 A CA 0.711 52.750 52.037 0.004 0.000 0.840 166 A CB 0.403 19.388 19.000 -0.025 0.000 1.179 166 A HN 1.661 nan 8.150 nan 0.000 0.504 167 R N 1.335 121.706 120.500 -0.215 0.000 3.322 167 R HA -0.235 4.105 4.340 -0.000 0.000 0.253 167 R C 0.848 177.057 176.300 -0.153 0.000 0.987 167 R CA 0.777 56.454 56.100 -0.705 0.000 0.666 167 R CB -2.215 27.391 30.300 -1.157 0.000 1.072 167 R HN 2.316 nan 8.270 nan 0.000 0.447 168 A N -0.218 122.737 122.820 0.225 0.000 2.899 168 A HA -0.272 4.048 4.320 -0.000 0.000 0.257 168 A C 1.208 179.009 177.584 0.362 0.000 1.335 168 A CA 1.789 54.096 52.037 0.450 0.000 0.924 168 A CB -1.297 17.980 19.000 0.462 0.000 1.105 168 A HN 0.788 nan 8.150 nan 0.000 0.765 169 D N -1.183 119.350 120.400 0.221 0.000 2.355 169 D HA 0.327 4.966 4.640 -0.000 0.000 0.218 169 D C 1.612 178.048 176.300 0.226 0.000 1.004 169 D CA 1.119 55.222 54.000 0.172 0.000 0.880 169 D CB -0.917 39.929 40.800 0.076 0.000 0.911 169 D HN 1.787 nan 8.370 nan 0.000 0.528 170 G N 0.092 109.073 108.800 0.301 0.000 2.205 170 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.269 170 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.269 170 G C 1.144 176.093 174.900 0.082 0.000 0.977 170 G CA 1.692 46.926 45.100 0.224 0.000 0.652 170 G HN 0.699 nan 8.290 nan 0.000 0.539 171 T N -3.856 110.741 114.554 0.071 0.000 2.964 171 T HA 0.509 4.859 4.350 -0.000 0.000 0.250 171 T C 1.192 175.904 174.700 0.019 0.000 0.982 171 T CA 1.025 63.144 62.100 0.032 0.000 0.959 171 T CB 0.455 69.343 68.868 0.035 0.000 1.141 171 T HN 0.390 nan 8.240 nan 0.000 0.494 172 S N 2.272 117.987 115.700 0.025 0.000 2.603 172 S HA 0.508 4.978 4.470 -0.000 0.000 0.268 172 S C -0.215 174.388 174.600 0.005 0.000 1.317 172 S CA -0.729 57.479 58.200 0.014 0.000 1.012 172 S CB 0.641 63.848 63.200 0.012 0.000 0.926 172 S HN 0.754 nan 8.310 nan 0.000 0.539 173 K N 0.763 121.158 120.400 -0.009 0.000 2.426 173 K HA 0.640 4.960 4.320 -0.000 0.000 0.251 173 K C -3.249 173.307 176.600 -0.073 0.000 0.941 173 K CA -2.049 54.215 56.287 -0.037 0.000 0.808 173 K CB 1.496 33.975 32.500 -0.035 0.000 1.265 173 K HN 0.257 nan 8.250 nan 0.000 0.432 174 P HA 0.063 nan 4.420 nan 0.000 0.277 174 P C -0.879 176.351 177.300 -0.117 0.000 1.271 174 P CA -0.577 62.430 63.100 -0.154 0.000 0.795 174 P CB 1.375 32.913 31.700 -0.270 0.000 1.101 175 S N 0.005 115.658 115.700 -0.078 0.000 2.552 175 S HA 0.401 4.871 4.470 -0.000 0.000 0.314 175 S C -1.060 173.540 174.600 0.000 0.000 1.099 175 S CA -0.568 57.629 58.200 -0.006 0.000 1.070 175 S CB -0.206 63.050 63.200 0.095 0.000 0.998 175 S HN 0.187 nan 8.310 nan 0.000 0.474 176 Y N 5.311 125.641 120.300 0.051 0.000 2.496 176 Y HA 0.390 4.940 4.550 -0.000 0.000 0.334 176 Y C 0.658 176.532 175.900 -0.044 0.000 1.080 176 Y CA -0.109 57.999 58.100 0.014 0.000 1.355 176 Y CB 0.169 38.642 38.460 0.022 0.000 1.193 176 Y HN 0.629 nan 8.280 nan 0.000 0.523 177 I N 0.212 120.859 120.570 0.128 0.000 3.174 177 I HA 0.708 4.878 4.170 -0.000 0.000 0.313 177 I C -1.112 175.015 176.117 0.018 0.000 1.155 177 I CA -1.153 60.130 61.300 -0.029 0.000 0.977 177 I CB 2.728 40.702 38.000 -0.044 0.000 1.248 177 I HN 0.341 nan 8.210 nan 0.000 0.453 178 N N -0.108 118.530 118.700 -0.103 0.000 2.416 178 N HA 0.567 5.306 4.740 -0.000 0.000 0.276 178 N C -0.501 174.930 175.510 -0.131 0.000 1.261 178 N CA 0.212 53.253 53.050 -0.015 0.000 0.790 178 N CB 2.654 41.180 38.487 0.064 0.000 1.554 178 N HN 0.973 nan 8.380 nan 0.000 0.481 179 T N -2.084 112.442 114.554 -0.047 0.000 3.429 179 T HA 0.361 4.711 4.350 -0.000 0.000 0.212 179 T C 0.469 175.039 174.700 -0.217 0.000 0.980 179 T CA -0.011 61.958 62.100 -0.218 0.000 1.201 179 T CB -0.573 68.070 68.868 -0.375 0.000 1.289 179 T HN 0.204 nan 8.240 nan 0.000 0.346 180 F N 3.223 123.223 119.950 0.084 0.000 2.612 180 F HA 0.345 4.872 4.527 -0.000 0.000 0.389 180 F C 1.688 177.403 175.800 -0.143 0.000 1.055 180 F CA 0.187 58.193 58.000 0.010 0.000 1.232 180 F CB 0.326 39.398 39.000 0.119 0.000 1.044 180 F HN 0.298 nan 8.300 nan 0.000 0.560 181 Q N 1.795 121.537 119.800 -0.096 0.000 1.925 181 Q HA 0.112 4.452 4.340 -0.000 0.000 0.211 181 Q C 0.475 176.268 176.000 -0.345 0.000 0.698 181 Q CA 0.121 55.717 55.803 -0.346 0.000 0.840 181 Q CB 0.539 28.658 28.738 -1.032 0.000 1.218 181 Q HN 0.639 nan 8.270 nan 0.000 0.432 182 R N 1.081 121.375 120.500 -0.345 0.000 3.311 182 R HA 0.482 4.822 4.340 -0.000 0.000 0.332 182 R C 0.315 176.404 176.300 -0.352 0.000 1.317 182 R CA 0.411 56.015 56.100 -0.826 0.000 1.192 182 R CB 0.700 30.578 30.300 -0.703 0.000 1.454 182 R HN 0.223 nan 8.270 nan 0.000 0.605 183 G N 1.666 110.429 108.800 -0.062 0.000 2.796 183 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.571 183 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.571 183 G C 0.660 175.598 174.900 0.063 0.000 1.370 183 G CA -0.045 45.101 45.100 0.077 0.000 0.856 183 G HN 0.562 nan 8.290 nan 0.000 0.538 184 E N -1.059 119.127 120.200 -0.023 0.000 2.267 184 E HA -0.142 4.208 4.350 -0.000 0.000 0.197 184 E C 1.718 178.370 176.600 0.088 0.000 0.998 184 E CA 1.587 57.964 56.400 -0.039 0.000 0.830 184 E CB 0.009 29.608 29.700 -0.169 0.000 0.751 184 E HN 0.355 nan 8.360 nan 0.000 0.491 185 Q N 0.724 120.581 119.800 0.094 0.000 2.319 185 Q HA 0.101 4.441 4.340 -0.000 0.000 0.202 185 Q C -0.215 175.866 176.000 0.135 0.000 0.896 185 Q CA 0.238 56.102 55.803 0.102 0.000 0.942 185 Q CB 0.639 29.425 28.738 0.081 0.000 1.083 185 Q HN 0.436 nan 8.270 nan 0.000 0.510 186 E N 1.736 122.037 120.200 0.168 0.000 1.941 186 E HA 0.135 4.485 4.350 -0.000 0.000 0.275 186 E C -0.314 176.435 176.600 0.248 0.000 1.113 186 E CA -0.213 56.307 56.400 0.200 0.000 0.878 186 E CB 0.474 30.291 29.700 0.195 0.000 1.070 186 E HN 0.109 nan 8.360 nan 0.000 0.399 187 S N 2.551 118.385 115.700 0.224 0.000 2.641 187 S HA -0.014 4.456 4.470 -0.000 0.000 0.261 187 S C 1.336 176.112 174.600 0.292 0.000 1.257 187 S CA -0.078 58.264 58.200 0.237 0.000 0.983 187 S CB 1.383 64.749 63.200 0.275 0.000 0.990 187 S HN 0.499 nan 8.310 nan 0.000 0.572 188 T N -0.590 114.080 114.554 0.193 0.000 2.881 188 T HA -0.079 4.271 4.350 -0.000 0.000 0.270 188 T C 0.869 175.459 174.700 -0.183 0.000 1.068 188 T CA 1.471 63.507 62.100 -0.106 0.000 1.131 188 T CB -0.604 68.106 68.868 -0.263 0.000 0.871 188 T HN 0.693 nan 8.240 nan 0.000 0.479 189 W N 1.246 122.557 121.300 0.017 0.000 2.905 189 W HA 0.276 4.936 4.660 -0.000 0.000 0.251 189 W C 1.763 178.416 176.519 0.223 0.000 1.305 189 W CA -0.168 57.187 57.345 0.015 0.000 1.465 189 W CB 0.144 29.463 29.460 -0.236 0.000 1.122 189 W HN 0.386 nan 8.180 nan 0.000 0.659 190 E N -0.284 120.112 120.200 0.326 0.000 2.548 190 E HA 0.044 4.393 4.350 -0.000 0.000 0.206 190 E C 0.859 177.570 176.600 0.184 0.000 1.005 190 E CA 0.013 56.570 56.400 0.263 0.000 0.951 190 E CB 0.214 30.053 29.700 0.232 0.000 1.035 190 E HN -0.002 nan 8.360 nan 0.000 0.470 191 T N -1.548 113.073 114.554 0.112 0.000 2.881 191 T HA 0.542 4.892 4.350 -0.000 0.000 0.278 191 T C 0.242 174.969 174.700 0.045 0.000 0.982 191 T CA -0.647 61.467 62.100 0.023 0.000 0.989 191 T CB 1.249 70.005 68.868 -0.186 0.000 1.058 191 T HN -0.031 nan 8.240 nan 0.000 0.529 192 I N 1.970 122.579 120.570 0.064 0.000 2.495 192 I HA 0.310 4.480 4.170 -0.000 0.000 0.277 192 I C -2.572 173.538 176.117 -0.012 0.000 1.045 192 I CA -2.600 58.753 61.300 0.087 0.000 1.135 192 I CB 1.895 40.008 38.000 0.187 0.000 1.241 192 I HN 0.423 nan 8.210 nan 0.000 0.469 193 P HA -0.040 nan 4.420 nan 0.000 0.262 193 P C -0.961 176.045 177.300 -0.490 0.000 1.182 193 P CA 0.257 63.124 63.100 -0.389 0.000 0.761 193 P CB 0.387 31.623 31.700 -0.773 0.000 0.795 194 Q N 4.730 124.155 119.800 -0.624 0.000 2.456 194 Q HA 0.567 4.907 4.340 -0.000 0.000 0.283 194 Q C -3.136 172.255 176.000 -1.015 0.000 1.084 194 Q CA -2.551 52.582 55.803 -1.117 0.000 0.801 194 Q CB 2.345 30.678 28.738 -0.675 0.000 1.434 194 Q HN 0.157 nan 8.270 nan 0.000 0.419 195 P HA 0.220 nan 4.420 nan 0.000 0.282 195 P C 0.239 177.344 177.300 -0.324 0.000 1.249 195 P CA -0.291 62.351 63.100 -0.763 0.000 0.806 195 P CB 1.362 32.634 31.700 -0.713 0.000 0.984 196 C N 0.968 120.147 119.300 -0.201 0.000 2.440 196 C HA -0.021 4.439 4.460 -0.000 0.000 0.278 196 C C 1.222 176.121 174.990 -0.151 0.000 1.295 196 C CA 0.072 58.917 59.018 -0.289 0.000 1.738 196 C CB -0.951 26.507 27.740 -0.470 0.000 1.987 196 C HN 0.587 nan 8.230 nan 0.000 0.492 197 W N 2.843 124.057 121.300 -0.143 0.000 2.317 197 W HA 0.337 4.997 4.660 -0.000 0.000 0.327 197 W C -1.038 175.510 176.519 0.048 0.000 1.036 197 W CA 0.008 57.348 57.345 -0.009 0.000 1.419 197 W CB 0.160 29.653 29.460 0.055 0.000 1.253 197 W HN 0.191 nan 8.180 nan 0.000 0.392 198 D N 4.295 124.694 120.400 -0.002 0.000 2.454 198 D HA 0.108 4.747 4.640 -0.000 0.000 0.225 198 D C 0.126 176.476 176.300 0.084 0.000 1.081 198 D CA 0.077 54.162 54.000 0.141 0.000 0.864 198 D CB 0.860 41.780 40.800 0.200 0.000 1.040 198 D HN 0.484 nan 8.370 nan 0.000 0.517 199 E N 1.745 122.046 120.200 0.169 0.000 2.451 199 E HA 0.059 4.409 4.350 -0.000 0.000 0.194 199 E C -0.029 176.626 176.600 0.092 0.000 1.027 199 E CA -0.187 56.233 56.400 0.034 0.000 0.914 199 E CB 0.042 29.840 29.700 0.162 0.000 1.054 199 E HN 0.634 nan 8.360 nan 0.000 0.461 200 H N -1.511 117.650 119.070 0.151 0.000 3.211 200 H HA -0.153 4.403 4.556 -0.000 0.000 0.240 200 H C 1.097 176.440 175.328 0.027 0.000 1.148 200 H CA 0.349 56.465 56.048 0.114 0.000 1.160 200 H CB -0.517 29.305 29.762 0.100 0.000 1.232 200 H HN 0.031 nan 8.280 nan 0.000 0.321 201 K N 0.369 120.833 120.400 0.106 0.000 2.296 201 K HA 0.098 4.418 4.320 -0.000 0.000 0.200 201 K C 0.367 176.709 176.600 -0.430 0.000 1.048 201 K CA 0.907 57.055 56.287 -0.231 0.000 0.966 201 K CB 0.193 32.439 32.500 -0.423 0.000 0.754 201 K HN 0.135 nan 8.250 nan 0.000 0.466 202 F N -0.690 119.421 119.950 0.268 0.000 2.593 202 F HA 0.509 5.036 4.527 -0.000 0.000 0.320 202 F C 1.308 177.194 175.800 0.144 0.000 1.060 202 F CA -0.150 58.035 58.000 0.310 0.000 0.940 202 F CB 1.690 41.067 39.000 0.629 0.000 1.268 202 F HN 0.227 nan 8.300 nan 0.000 0.475 203 G N 0.663 109.544 108.800 0.135 0.000 2.596 203 G HA2 0.122 4.082 3.960 -0.000 0.000 0.258 203 G HA3 0.122 4.082 3.960 -0.000 0.000 0.258 203 G C 0.182 174.850 174.900 -0.387 0.000 1.207 203 G CA -0.298 44.487 45.100 -0.524 0.000 0.954 203 G HN 1.295 nan 8.290 nan 0.000 0.551 204 G N -1.760 106.742 108.800 -0.497 0.000 2.702 204 G HA2 0.546 4.506 3.960 -0.000 0.000 0.254 204 G HA3 0.546 4.506 3.960 -0.000 0.000 0.254 204 G C 0.858 175.455 174.900 -0.505 0.000 1.380 204 G CA 1.099 45.775 45.100 -0.706 0.000 1.042 204 G HN 1.019 nan 8.290 nan 0.000 0.557 205 Q N -1.637 117.781 119.800 -0.637 0.000 2.152 205 Q HA -0.153 4.187 4.340 -0.000 0.000 0.206 205 Q C 0.305 175.816 176.000 -0.815 0.000 0.985 205 Q CA 1.711 57.084 55.803 -0.718 0.000 0.863 205 Q CB -0.163 28.022 28.738 -0.922 0.000 0.904 205 Q HN 0.501 nan 8.270 nan 0.000 0.422 206 Y N -0.475 119.617 120.300 -0.346 0.000 2.669 206 Y HA 0.406 4.956 4.550 -0.000 0.000 0.302 206 Y C 0.848 176.464 175.900 -0.474 0.000 1.000 206 Y CA -0.100 57.590 58.100 -0.683 0.000 1.222 206 Y CB 0.606 38.789 38.460 -0.462 0.000 1.209 206 Y HN 0.322 nan 8.280 nan 0.000 0.571 207 G N 0.672 109.400 108.800 -0.120 0.000 2.556 207 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.283 207 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.283 207 G C 0.344 175.288 174.900 0.074 0.000 1.177 207 G CA 0.690 45.862 45.100 0.120 0.000 0.978 207 G HN 0.255 nan 8.290 nan 0.000 0.554 208 F N 1.133 121.223 119.950 0.234 0.000 2.682 208 F HA 0.429 4.956 4.527 -0.000 0.000 0.308 208 F C 2.434 178.258 175.800 0.040 0.000 1.093 208 F CA 0.251 58.354 58.000 0.173 0.000 1.244 208 F CB 0.005 39.102 39.000 0.162 0.000 1.052 208 F HN 0.238 nan 8.300 nan 0.000 0.573 209 L N 0.578 121.979 121.223 0.297 0.000 2.013 209 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 209 L C 1.922 178.861 176.870 0.115 0.000 1.073 209 L CA 1.756 56.736 54.840 0.233 0.000 0.753 209 L CB -0.657 41.531 42.059 0.215 0.000 0.890 209 L HN 0.184 nan 8.230 nan 0.000 0.432 210 D N -0.297 120.175 120.400 0.120 0.000 2.338 210 D HA -0.084 4.556 4.640 -0.000 0.000 0.239 210 D C 1.818 178.058 176.300 -0.099 0.000 1.095 210 D CA 0.490 54.545 54.000 0.092 0.000 0.888 210 D CB -0.208 40.727 40.800 0.225 0.000 0.899 210 D HN 0.367 nan 8.370 nan 0.000 0.525 211 L N -1.281 119.670 121.223 -0.454 0.000 2.375 211 L HA 0.097 4.437 4.340 -0.000 0.000 0.215 211 L C 1.257 177.749 176.870 -0.629 0.000 1.108 211 L CA 0.480 54.798 54.840 -0.870 0.000 0.830 211 L CB -0.054 41.102 42.059 -1.505 0.000 0.959 211 L HN -0.052 nan 8.230 nan 0.000 0.457 212 F N -1.472 118.525 119.950 0.078 0.000 2.592 212 F HA 0.135 4.662 4.527 -0.000 0.000 0.280 212 F C 1.251 177.171 175.800 0.199 0.000 1.083 212 F CA -0.248 57.846 58.000 0.157 0.000 1.365 212 F CB -0.304 38.747 39.000 0.085 0.000 1.100 212 F HN -0.137 nan 8.300 nan 0.000 0.633 213 T N -1.187 113.522 114.554 0.258 0.000 2.876 213 T HA 0.537 4.886 4.350 -0.000 0.000 0.289 213 T C -0.915 173.837 174.700 0.086 0.000 1.014 213 T CA -0.819 61.372 62.100 0.152 0.000 0.986 213 T CB 2.678 71.601 68.868 0.092 0.000 1.021 213 T HN 0.053 nan 8.240 nan 0.000 0.458 214 K N 2.133 122.566 120.400 0.055 0.000 2.425 214 K HA 0.465 4.785 4.320 -0.000 0.000 0.259 214 K C -1.278 175.319 176.600 -0.005 0.000 0.978 214 K CA -0.559 55.747 56.287 0.031 0.000 0.883 214 K CB 1.205 33.730 32.500 0.042 0.000 1.110 214 K HN 0.805 nan 8.250 nan 0.000 0.436 215 D N 1.664 122.047 120.400 -0.029 0.000 2.384 215 D HA 0.264 4.904 4.640 -0.000 0.000 0.250 215 D C 0.740 177.005 176.300 -0.058 0.000 1.029 215 D CA -0.428 53.537 54.000 -0.059 0.000 0.990 215 D CB 1.709 42.454 40.800 -0.092 0.000 1.175 215 D HN 0.432 nan 8.370 nan 0.000 0.532 216 T N 0.045 114.559 114.554 -0.065 0.000 2.622 216 T HA 0.091 4.441 4.350 -0.000 0.000 0.266 216 T C 1.047 175.708 174.700 -0.065 0.000 1.047 216 T CA 1.369 63.435 62.100 -0.056 0.000 1.159 216 T CB -0.500 68.333 68.868 -0.058 0.000 0.863 216 T HN 0.500 nan 8.240 nan 0.000 0.422 217 G N 0.498 109.244 108.800 -0.089 0.000 2.702 217 G HA2 0.460 4.420 3.960 -0.000 0.000 0.254 217 G HA3 0.460 4.420 3.960 -0.000 0.000 0.254 217 G C -0.539 174.270 174.900 -0.152 0.000 1.380 217 G CA -0.629 44.411 45.100 -0.100 0.000 1.042 217 G HN 0.242 nan 8.290 nan 0.000 0.557 218 T N 2.329 116.774 114.554 -0.181 0.000 2.888 218 T HA 0.343 4.693 4.350 -0.000 0.000 0.301 218 T C -2.201 172.319 174.700 -0.300 0.000 1.001 218 T CA -0.193 61.704 62.100 -0.338 0.000 1.147 218 T CB 0.961 69.674 68.868 -0.259 0.000 0.931 218 T HN 0.163 nan 8.240 nan 0.000 0.541 219 P HA 0.350 nan 4.420 nan 0.000 0.267 219 P C -0.645 176.695 177.300 0.066 0.000 1.209 219 P CA -0.279 62.727 63.100 -0.158 0.000 0.763 219 P CB 0.340 31.938 31.700 -0.170 0.000 0.816 220 A N 3.924 126.830 122.820 0.143 0.000 2.287 220 A HA 0.281 4.601 4.320 -0.000 0.000 0.273 220 A C 0.113 177.851 177.584 0.257 0.000 1.091 220 A CA -0.551 51.619 52.037 0.222 0.000 0.817 220 A CB 0.252 19.422 19.000 0.284 0.000 1.069 220 A HN 0.453 nan 8.150 nan 0.000 0.492 221 K N 1.063 121.469 120.400 0.010 0.000 2.368 221 K HA 0.289 4.609 4.320 -0.000 0.000 0.282 221 K C -0.050 176.486 176.600 -0.108 0.000 1.035 221 K CA 0.265 56.441 56.287 -0.186 0.000 0.973 221 K CB 0.326 32.625 32.500 -0.335 0.000 0.957 221 K HN 0.816 nan 8.250 nan 0.000 0.474 222 Q N 1.988 121.696 119.800 -0.153 0.000 2.630 222 Q HA 0.489 4.829 4.340 -0.000 0.000 0.295 222 Q C -1.135 174.646 176.000 -0.365 0.000 0.944 222 Q CA -1.098 54.520 55.803 -0.308 0.000 0.766 222 Q CB 1.053 29.733 28.738 -0.096 0.000 1.471 222 Q HN 0.465 nan 8.270 nan 0.000 0.416 223 F N -1.006 118.665 119.950 -0.466 0.000 2.556 223 F HA 0.892 5.419 4.527 -0.000 0.000 0.327 223 F C -0.866 174.625 175.800 -0.516 0.000 1.059 223 F CA -0.923 56.768 58.000 -0.514 0.000 0.953 223 F CB 2.026 40.738 39.000 -0.479 0.000 1.227 223 F HN 0.719 nan 8.300 nan 0.000 0.478 224 K N 1.976 122.017 120.400 -0.599 0.000 2.557 224 K HA 0.486 4.806 4.320 -0.000 0.000 0.257 224 K C -2.542 173.420 176.600 -1.063 0.000 0.933 224 K CA -0.611 55.306 56.287 -0.616 0.000 0.820 224 K CB 1.756 34.193 32.500 -0.106 0.000 1.330 224 K HN 0.813 nan 8.250 nan 0.000 0.432 225 Y N 0.301 120.208 120.300 -0.655 0.000 2.536 225 Y HA 0.494 5.044 4.550 -0.000 0.000 0.347 225 Y C -0.373 175.326 175.900 -0.336 0.000 1.000 225 Y CA -0.717 56.974 58.100 -0.682 0.000 1.051 225 Y CB 2.882 40.520 38.460 -1.371 0.000 1.259 225 Y HN 0.451 nan 8.280 nan 0.000 0.468 226 T N 2.183 116.929 114.554 0.321 0.000 2.879 226 T HA 0.229 4.579 4.350 -0.000 0.000 0.290 226 T C -0.964 173.855 174.700 0.199 0.000 0.993 226 T CA -1.029 61.199 62.100 0.213 0.000 0.975 226 T CB 1.082 70.074 68.868 0.206 0.000 0.981 226 T HN 0.569 nan 8.240 nan 0.000 0.439 227 N N 1.677 120.405 118.700 0.047 0.000 2.508 227 N HA 0.539 5.279 4.740 -0.000 0.000 0.285 227 N C -0.882 174.630 175.510 0.002 0.000 1.144 227 N CA -0.476 52.535 53.050 -0.066 0.000 0.978 227 N CB 1.396 39.494 38.487 -0.649 0.000 1.180 227 N HN 0.724 nan 8.380 nan 0.000 0.484 228 A N 4.115 126.948 122.820 0.020 0.000 2.508 228 A HA 0.426 4.745 4.320 -0.000 0.000 0.336 228 A C -1.784 175.767 177.584 -0.055 0.000 1.360 228 A CA -1.476 50.530 52.037 -0.052 0.000 0.841 228 A CB 1.008 19.979 19.000 -0.048 0.000 1.136 228 A HN 0.538 nan 8.150 nan 0.000 0.489 229 P HA -0.247 nan 4.420 nan 0.000 0.217 229 P C 1.116 178.393 177.300 -0.038 0.000 1.151 229 P CA 1.863 65.033 63.100 0.117 0.000 0.849 229 P CB 0.208 32.067 31.700 0.265 0.000 0.787 230 D N -0.443 119.739 120.400 -0.362 0.000 2.178 230 D HA -0.144 4.496 4.640 -0.000 0.000 0.201 230 D C 1.743 177.865 176.300 -0.296 0.000 0.980 230 D CA 1.640 55.380 54.000 -0.434 0.000 0.842 230 D CB -0.982 39.255 40.800 -0.937 0.000 0.948 230 D HN 0.142 nan 8.370 nan 0.000 0.472 231 A N 1.121 123.789 122.820 -0.253 0.000 1.873 231 A HA -0.162 4.158 4.320 -0.000 0.000 0.215 231 A C 1.891 179.426 177.584 -0.081 0.000 1.186 231 A CA 1.792 53.737 52.037 -0.153 0.000 0.616 231 A CB -0.594 18.364 19.000 -0.070 0.000 0.823 231 A HN 0.089 nan 8.150 nan 0.000 0.442 232 D N 0.079 120.474 120.400 -0.007 0.000 2.144 232 D HA -0.003 4.637 4.640 -0.000 0.000 0.199 232 D C 2.126 178.466 176.300 0.066 0.000 0.984 232 D CA 1.446 55.488 54.000 0.069 0.000 0.834 232 D CB -0.257 40.643 40.800 0.166 0.000 0.955 232 D HN 0.429 nan 8.370 nan 0.000 0.465 233 A N 0.405 123.248 122.820 0.039 0.000 1.930 233 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 233 A C 2.130 179.674 177.584 -0.068 0.000 1.175 233 A CA 1.289 53.335 52.037 0.014 0.000 0.627 233 A CB -0.441 18.596 19.000 0.061 0.000 0.815 233 A HN 0.106 nan 8.150 nan 0.000 0.443 234 R N -0.396 120.017 120.500 -0.144 0.000 2.115 234 R HA -0.052 4.288 4.340 -0.000 0.000 0.230 234 R C 2.201 178.386 176.300 -0.191 0.000 1.111 234 R CA 1.202 57.139 56.100 -0.271 0.000 0.976 234 R CB -0.325 29.735 30.300 -0.400 0.000 0.870 234 R HN 0.446 nan 8.270 nan 0.000 0.445 235 A N 0.162 122.939 122.820 -0.071 0.000 1.933 235 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 235 A C 2.178 179.894 177.584 0.219 0.000 1.175 235 A CA 1.375 53.437 52.037 0.041 0.000 0.628 235 A CB -0.374 18.632 19.000 0.010 0.000 0.814 235 A HN 0.210 nan 8.150 nan 0.000 0.444 236 V N -0.004 119.999 119.914 0.148 0.000 2.307 236 V HA -0.305 3.815 4.120 -0.000 0.000 0.245 236 V C 2.722 178.833 176.094 0.027 0.000 1.045 236 V CA 2.248 64.624 62.300 0.127 0.000 1.024 236 V CB -0.810 30.991 31.823 -0.037 0.000 0.651 236 V HN 0.787 nan 8.190 nan 0.000 0.449 237 Q N 0.130 119.912 119.800 -0.029 0.000 2.077 237 Q HA -0.262 4.078 4.340 -0.000 0.000 0.206 237 Q C 2.224 178.249 176.000 0.043 0.000 0.989 237 Q CA 2.370 58.182 55.803 0.015 0.000 0.853 237 Q CB -0.313 28.361 28.738 -0.107 0.000 0.907 237 Q HN 0.619 nan 8.270 nan 0.000 0.418 238 A N -0.144 122.648 122.820 -0.046 0.000 1.933 238 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 238 A C 2.181 179.951 177.584 0.309 0.000 1.175 238 A CA 1.847 53.938 52.037 0.090 0.000 0.628 238 A CB -0.811 18.269 19.000 0.134 0.000 0.814 238 A HN 0.519 nan 8.150 nan 0.000 0.444 239 T N -1.611 113.200 114.554 0.429 0.000 2.904 239 T HA -0.116 4.233 4.350 -0.000 0.000 0.267 239 T C 1.737 176.608 174.700 0.286 0.000 1.059 239 T CA 1.433 63.879 62.100 0.576 0.000 1.137 239 T CB -0.391 68.950 68.868 0.788 0.000 0.879 239 T HN 0.594 nan 8.240 nan 0.000 0.467 240 Y N 0.506 120.742 120.300 -0.106 0.000 2.145 240 Y HA -0.185 4.365 4.550 -0.000 0.000 0.286 240 Y C 1.937 177.568 175.900 -0.448 0.000 1.145 240 Y CA 1.039 58.847 58.100 -0.486 0.000 1.148 240 Y CB -0.580 37.375 38.460 -0.842 0.000 0.981 240 Y HN 0.251 nan 8.280 nan 0.000 0.507 241 W N 0.056 121.120 121.300 -0.394 0.000 2.363 241 W HA -0.134 4.526 4.660 -0.000 0.000 0.296 241 W C 2.700 178.597 176.519 -1.037 0.000 1.212 241 W CA 1.438 58.185 57.345 -0.997 0.000 1.260 241 W CB -0.616 28.182 29.460 -1.104 0.000 1.131 241 W HN 0.174 nan 8.180 nan 0.000 0.530 242 A N 0.158 122.783 122.820 -0.324 0.000 1.902 242 A HA -0.276 4.044 4.320 -0.000 0.000 0.217 242 A C 1.596 179.018 177.584 -0.271 0.000 1.181 242 A CA 2.243 54.132 52.037 -0.246 0.000 0.623 242 A CB -1.048 17.378 19.000 -0.956 0.000 0.818 242 A HN 0.321 nan 8.150 nan 0.000 0.443 243 D N -1.163 119.067 120.400 -0.283 0.000 2.097 243 D HA -0.167 4.473 4.640 -0.000 0.000 0.195 243 D C 2.145 178.263 176.300 -0.303 0.000 0.989 243 D CA 1.500 55.348 54.000 -0.253 0.000 0.827 243 D CB -0.070 40.676 40.800 -0.090 0.000 0.966 243 D HN 0.342 nan 8.370 nan 0.000 0.456 244 Q N -0.455 119.068 119.800 -0.463 0.000 2.050 244 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 244 Q C 2.234 178.195 176.000 -0.065 0.000 0.980 244 Q CA 1.031 56.616 55.803 -0.363 0.000 0.840 244 Q CB -0.607 27.787 28.738 -0.573 0.000 0.898 244 Q HN 0.576 nan 8.270 nan 0.000 0.424 245 W N 0.367 121.663 121.300 -0.008 0.000 2.402 245 W HA 0.055 4.715 4.660 -0.000 0.000 0.286 245 W C 2.301 178.830 176.519 0.016 0.000 1.221 245 W CA 0.689 58.071 57.345 0.061 0.000 1.257 245 W CB -1.027 28.522 29.460 0.148 0.000 1.120 245 W HN 0.168 nan 8.180 nan 0.000 0.551 246 A N 0.712 123.478 122.820 -0.090 0.000 1.873 246 A HA -0.182 4.137 4.320 -0.000 0.000 0.215 246 A C 2.047 179.507 177.584 -0.207 0.000 1.186 246 A CA 1.710 53.413 52.037 -0.557 0.000 0.616 246 A CB -0.668 17.726 19.000 -1.011 0.000 0.823 246 A HN 0.229 nan 8.150 nan 0.000 0.442 247 K N -0.053 120.261 120.400 -0.145 0.000 2.147 247 K HA -0.122 4.198 4.320 -0.000 0.000 0.205 247 K C 1.667 178.257 176.600 -0.016 0.000 1.049 247 K CA 1.387 57.624 56.287 -0.082 0.000 0.936 247 K CB -0.135 32.314 32.500 -0.086 0.000 0.722 247 K HN 0.610 nan 8.250 nan 0.000 0.446 248 E N 0.599 120.821 120.200 0.037 0.000 2.338 248 E HA -0.166 4.184 4.350 -0.000 0.000 0.197 248 E C 1.012 177.646 176.600 0.057 0.000 1.007 248 E CA 0.759 57.199 56.400 0.067 0.000 0.849 248 E CB 0.141 29.917 29.700 0.127 0.000 0.774 248 E HN 0.381 nan 8.360 nan 0.000 0.506 249 Q N -0.809 119.025 119.800 0.056 0.000 2.159 249 Q HA 0.184 4.524 4.340 -0.000 0.000 0.217 249 Q C 0.609 176.630 176.000 0.034 0.000 0.818 249 Q CA 0.218 56.057 55.803 0.061 0.000 1.008 249 Q CB 1.521 30.332 28.738 0.122 0.000 1.148 249 Q HN 0.307 nan 8.270 nan 0.000 0.491 250 G N 1.649 110.451 108.800 0.003 0.000 2.153 250 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.252 250 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.252 250 G C 0.115 175.001 174.900 -0.024 0.000 0.994 250 G CA 0.363 45.457 45.100 -0.010 0.000 0.698 250 G HN 0.050 nan 8.290 nan 0.000 0.521 251 K N -0.224 120.142 120.400 -0.056 0.000 2.210 251 K HA 0.807 5.126 4.320 -0.000 0.000 0.236 251 K C -0.096 176.395 176.600 -0.183 0.000 1.016 251 K CA -0.290 55.940 56.287 -0.094 0.000 0.913 251 K CB 1.759 34.202 32.500 -0.096 0.000 1.141 251 K HN 0.334 nan 8.250 nan 0.000 0.462 252 S N -0.323 115.269 115.700 -0.179 0.000 2.540 252 S HA 0.410 4.880 4.470 -0.000 0.000 0.275 252 S C -0.701 173.808 174.600 -0.153 0.000 1.123 252 S CA -0.708 57.386 58.200 -0.178 0.000 0.907 252 S CB 0.981 64.117 63.200 -0.107 0.000 1.081 252 S HN 0.324 nan 8.310 nan 0.000 0.476 253 V N 2.420 122.242 119.914 -0.153 0.000 2.838 253 V HA 0.445 4.565 4.120 -0.000 0.000 0.363 253 V C 1.437 177.495 176.094 -0.060 0.000 1.324 253 V CA 0.365 62.649 62.300 -0.028 0.000 1.220 253 V CB -0.359 31.506 31.823 0.070 0.000 1.328 253 V HN 0.768 nan 8.190 nan 0.000 0.595 254 S N 2.221 117.856 115.700 -0.107 0.000 2.372 254 S HA -0.279 4.191 4.470 -0.000 0.000 0.227 254 S C 1.939 176.438 174.600 -0.169 0.000 1.044 254 S CA 3.090 61.200 58.200 -0.151 0.000 1.050 254 S CB -0.423 62.701 63.200 -0.126 0.000 0.901 254 S HN 0.798 nan 8.310 nan 0.000 0.447 255 T N 1.293 115.772 114.554 -0.125 0.000 2.720 255 T HA -0.074 4.276 4.350 -0.000 0.000 0.268 255 T C 2.115 176.669 174.700 -0.243 0.000 1.037 255 T CA 1.751 63.763 62.100 -0.147 0.000 1.144 255 T CB -0.611 68.206 68.868 -0.085 0.000 0.864 255 T HN 0.462 nan 8.240 nan 0.000 0.444 256 S N 0.597 116.159 115.700 -0.230 0.000 2.402 256 S HA -0.037 4.433 4.470 -0.000 0.000 0.229 256 S C 2.302 176.582 174.600 -0.534 0.000 1.021 256 S CA 0.500 58.408 58.200 -0.486 0.000 0.974 256 S CB -0.374 62.725 63.200 -0.169 0.000 0.800 256 S HN 0.273 nan 8.310 nan 0.000 0.484 257 V N 1.748 121.466 119.914 -0.327 0.000 2.343 257 V HA -0.153 3.966 4.120 -0.000 0.000 0.247 257 V C 2.610 178.409 176.094 -0.492 0.000 1.051 257 V CA 1.951 63.974 62.300 -0.462 0.000 1.036 257 V CB -1.438 30.026 31.823 -0.598 0.000 0.654 257 V HN 0.582 nan 8.190 nan 0.000 0.451 258 G N -0.352 108.208 108.800 -0.401 0.000 2.418 258 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 258 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 258 G C 1.668 176.362 174.900 -0.344 0.000 1.158 258 G CA 0.835 45.740 45.100 -0.324 0.000 0.771 258 G HN 0.477 nan 8.290 nan 0.000 0.545 259 K N 0.533 120.645 120.400 -0.480 0.000 2.026 259 K HA 0.065 4.385 4.320 -0.000 0.000 0.208 259 K C 2.967 179.340 176.600 -0.377 0.000 1.048 259 K CA 0.994 56.970 56.287 -0.519 0.000 0.929 259 K CB -0.234 31.766 32.500 -0.833 0.000 0.713 259 K HN 0.257 nan 8.250 nan 0.000 0.439 260 A N 0.978 123.495 122.820 -0.504 0.000 1.902 260 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 260 A C 2.212 179.868 177.584 0.119 0.000 1.181 260 A CA 2.025 54.080 52.037 0.029 0.000 0.623 260 A CB -0.933 18.222 19.000 0.258 0.000 0.818 260 A HN 0.255 nan 8.150 nan 0.000 0.443 261 T N -0.539 114.009 114.554 -0.010 0.000 2.821 261 T HA -0.118 4.232 4.350 -0.000 0.000 0.267 261 T C 1.968 176.703 174.700 0.058 0.000 1.046 261 T CA 1.664 63.779 62.100 0.026 0.000 1.139 261 T CB -0.136 68.679 68.868 -0.089 0.000 0.871 261 T HN 0.626 nan 8.240 nan 0.000 0.454 262 K N 0.817 121.208 120.400 -0.015 0.000 2.057 262 K HA 0.020 4.340 4.320 -0.000 0.000 0.206 262 K C 2.405 179.122 176.600 0.196 0.000 1.050 262 K CA 1.067 57.311 56.287 -0.073 0.000 0.935 262 K CB -0.236 31.980 32.500 -0.474 0.000 0.715 262 K HN 0.275 nan 8.250 nan 0.000 0.439 263 M N 0.015 119.827 119.600 0.353 0.000 2.117 263 M HA -0.101 4.379 4.480 -0.000 0.000 0.262 263 M C 1.854 178.375 176.300 0.368 0.000 1.065 263 M CA 2.156 57.748 55.300 0.486 0.000 1.114 263 M CB -0.314 32.587 32.600 0.503 0.000 1.361 263 M HN 0.295 nan 8.290 nan 0.000 0.408 264 G N -0.455 108.502 108.800 0.261 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 1.154 176.278 174.900 0.374 0.000 1.131 264 G CA 0.982 46.212 45.100 0.217 0.000 0.775 264 G HN 0.463 nan 8.290 nan 0.000 0.547 265 D N -0.184 120.374 120.400 0.263 0.000 2.103 265 D HA -0.069 4.571 4.640 -0.000 0.000 0.199 265 D C 1.937 178.236 176.300 -0.002 0.000 0.978 265 D CA 0.605 54.707 54.000 0.170 0.000 0.829 265 D CB -0.107 40.762 40.800 0.116 0.000 0.981 265 D HN 0.373 nan 8.370 nan 0.000 0.464 266 Y N 0.135 120.489 120.300 0.090 0.000 2.373 266 Y HA -0.036 4.514 4.550 -0.000 0.000 0.293 266 Y C 2.034 177.888 175.900 -0.077 0.000 1.129 266 Y CA 0.243 58.350 58.100 0.011 0.000 1.226 266 Y CB -0.215 38.279 38.460 0.056 0.000 1.000 266 Y HN -0.003 nan 8.280 nan 0.000 0.549 267 L N 0.691 122.046 121.223 0.222 0.000 2.349 267 L HA -0.174 4.166 4.340 -0.000 0.000 0.220 267 L C 1.955 178.687 176.870 -0.230 0.000 1.130 267 L CA 1.437 56.399 54.840 0.203 0.000 0.791 267 L CB -0.455 41.860 42.059 0.426 0.000 0.918 267 L HN 0.075 nan 8.230 nan 0.000 0.444 268 R N -2.119 118.089 120.500 -0.487 0.000 2.241 268 R HA -0.190 4.150 4.340 -0.000 0.000 0.224 268 R C 1.777 177.645 176.300 -0.721 0.000 1.101 268 R CA 1.125 56.523 56.100 -1.170 0.000 0.995 268 R CB -0.408 29.440 30.300 -0.753 0.000 0.870 268 R HN 0.373 nan 8.270 nan 0.000 0.463 269 Y N 0.635 120.647 120.300 -0.481 0.000 2.403 269 Y HA -0.186 4.364 4.550 -0.000 0.000 0.291 269 Y C 2.558 178.397 175.900 -0.101 0.000 1.143 269 Y CA 1.522 59.434 58.100 -0.313 0.000 1.257 269 Y CB -0.105 37.918 38.460 -0.729 0.000 0.984 269 Y HN 0.109 nan 8.280 nan 0.000 0.550 270 S N -1.260 114.452 115.700 0.020 0.000 2.555 270 S HA -0.100 4.370 4.470 -0.000 0.000 0.230 270 S C 1.500 176.234 174.600 0.225 0.000 0.978 270 S CA 0.388 58.726 58.200 0.230 0.000 0.934 270 S CB -0.792 62.609 63.200 0.334 0.000 0.766 270 S HN 0.227 nan 8.310 nan 0.000 0.533 271 F N 1.219 121.053 119.950 -0.193 0.000 2.661 271 F HA 0.427 4.954 4.527 -0.000 0.000 0.298 271 F C 0.396 175.392 175.800 -1.341 0.000 1.137 271 F CA -1.514 56.068 58.000 -0.697 0.000 1.454 271 F CB -0.922 37.544 39.000 -0.890 0.000 1.103 271 F HN 0.153 nan 8.300 nan 0.000 0.577 272 F N -0.117 119.540 119.950 -0.488 0.000 2.432 272 F HA 0.282 4.808 4.527 -0.000 0.000 0.329 272 F C 0.603 176.122 175.800 -0.469 0.000 1.076 272 F CA -1.824 55.821 58.000 -0.592 0.000 1.018 272 F CB 0.430 39.052 39.000 -0.629 0.000 1.201 272 F HN -0.294 nan 8.300 nan 0.000 0.489 273 D N 1.565 121.856 120.400 -0.181 0.000 2.449 273 D HA -0.015 4.624 4.640 -0.000 0.000 0.236 273 D C 1.305 177.493 176.300 -0.186 0.000 1.149 273 D CA 0.245 54.221 54.000 -0.040 0.000 0.878 273 D CB 0.871 41.719 40.800 0.080 0.000 1.198 273 D HN 0.594 nan 8.370 nan 0.000 0.446 274 K N 1.850 122.174 120.400 -0.125 0.000 2.052 274 K HA -0.257 4.063 4.320 -0.000 0.000 0.215 274 K C 0.465 176.869 176.600 -0.326 0.000 1.053 274 K CA 1.540 57.668 56.287 -0.266 0.000 0.934 274 K CB -0.158 32.139 32.500 -0.337 0.000 0.717 274 K HN 0.601 nan 8.250 nan 0.000 0.450 275 Y N -0.730 119.725 120.300 0.260 0.000 2.720 275 Y HA 0.232 4.782 4.550 -0.000 0.000 0.277 275 Y C -0.738 175.399 175.900 0.396 0.000 1.144 275 Y CA -0.625 57.695 58.100 0.367 0.000 1.221 275 Y CB -0.087 38.623 38.460 0.416 0.000 1.163 275 Y HN 0.037 nan 8.280 nan 0.000 0.537 276 F N -0.398 119.698 119.950 0.243 0.000 3.074 276 F HA -0.307 4.220 4.527 -0.000 0.000 0.287 276 F C 0.586 176.453 175.800 0.111 0.000 0.932 276 F CA 0.044 58.146 58.000 0.170 0.000 0.995 276 F CB -1.128 37.938 39.000 0.110 0.000 0.966 276 F HN 0.051 nan 8.300 nan 0.000 0.721 277 R N 0.894 121.494 120.500 0.168 0.000 2.531 277 R HA 0.376 4.716 4.340 -0.000 0.000 0.273 277 R C 0.597 176.932 176.300 0.060 0.000 1.070 277 R CA -0.801 55.310 56.100 0.019 0.000 1.112 277 R CB 0.631 30.781 30.300 -0.250 0.000 1.049 277 R HN 0.254 nan 8.270 nan 0.000 0.508 278 K N 1.713 122.133 120.400 0.033 0.000 2.448 278 K HA 0.089 4.409 4.320 -0.000 0.000 0.278 278 K C 0.301 176.939 176.600 0.063 0.000 1.009 278 K CA -0.105 56.214 56.287 0.053 0.000 0.995 278 K CB 0.386 32.909 32.500 0.038 0.000 0.917 278 K HN 0.260 nan 8.250 nan 0.000 0.481 279 I N 2.669 123.280 120.570 0.069 0.000 2.517 279 I HA -0.018 4.151 4.170 -0.000 0.000 0.285 279 I C 1.551 177.721 176.117 0.087 0.000 1.106 279 I CA 0.936 62.289 61.300 0.087 0.000 1.402 279 I CB -0.285 37.755 38.000 0.067 0.000 1.399 279 I HN 1.052 nan 8.210 nan 0.000 0.535 280 G N 5.924 114.785 108.800 0.101 0.000 2.241 280 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.244 280 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.244 280 G C 0.370 175.308 174.900 0.064 0.000 0.998 280 G CA -0.231 44.919 45.100 0.082 0.000 0.621 280 G HN 0.593 nan 8.290 nan 0.000 0.519 281 Q N 0.316 120.150 119.800 0.057 0.000 3.230 281 Q HA 0.238 4.578 4.340 -0.000 0.000 0.303 281 Q C -1.789 174.221 176.000 0.016 0.000 0.884 281 Q CA -1.289 54.534 55.803 0.034 0.000 0.859 281 Q CB 2.178 30.928 28.738 0.019 0.000 1.432 281 Q HN 0.353 nan 8.270 nan 0.000 0.403 282 P HA -0.249 nan 4.420 nan 0.000 0.218 282 P C 1.204 178.392 177.300 -0.186 0.000 1.146 282 P CA 1.573 64.667 63.100 -0.009 0.000 0.813 282 P CB 0.289 32.138 31.700 0.249 0.000 0.778 283 S N -2.171 113.478 115.700 -0.085 0.000 2.489 283 S HA -0.034 4.436 4.470 -0.000 0.000 0.228 283 S C 1.043 175.565 174.600 -0.130 0.000 0.995 283 S CA 0.016 58.148 58.200 -0.113 0.000 0.934 283 S CB -0.648 62.524 63.200 -0.047 0.000 0.771 283 S HN 0.254 nan 8.310 nan 0.000 0.522 284 Q N 1.010 120.748 119.800 -0.103 0.000 2.256 284 Q HA 0.695 5.035 4.340 -0.000 0.000 0.257 284 Q C -0.648 175.309 176.000 -0.072 0.000 0.936 284 Q CA -0.628 55.131 55.803 -0.074 0.000 0.903 284 Q CB 1.793 30.511 28.738 -0.034 0.000 1.263 284 Q HN 0.431 nan 8.270 nan 0.000 0.440 285 A N 1.717 124.506 122.820 -0.053 0.000 2.440 285 A HA 0.515 4.835 4.320 -0.000 0.000 0.251 285 A C 0.488 178.085 177.584 0.022 0.000 1.089 285 A CA 0.145 52.173 52.037 -0.015 0.000 0.779 285 A CB 0.171 19.163 19.000 -0.014 0.000 1.022 285 A HN 0.772 nan 8.150 nan 0.000 0.492 286 G N 0.239 109.082 108.800 0.072 0.000 2.539 286 G HA2 0.407 4.367 3.960 -0.000 0.000 0.258 286 G HA3 0.407 4.367 3.960 -0.000 0.000 0.258 286 G C 0.786 175.726 174.900 0.066 0.000 1.202 286 G CA 0.436 45.592 45.100 0.093 0.000 0.851 286 G HN 1.225 nan 8.290 nan 0.000 0.556 287 T N -2.406 112.185 114.554 0.062 0.000 3.129 287 T HA 0.556 4.906 4.350 -0.000 0.000 0.267 287 T C 1.111 175.831 174.700 0.033 0.000 1.018 287 T CA 0.781 62.901 62.100 0.033 0.000 0.903 287 T CB 0.256 69.144 68.868 0.033 0.000 1.067 287 T HN 1.759 nan 8.240 nan 0.000 0.549 288 G N 0.928 109.764 108.800 0.060 0.000 2.152 288 G HA2 -0.002 3.957 3.960 -0.000 0.000 0.058 288 G HA3 -0.002 3.957 3.960 -0.000 0.000 0.058 288 G C -0.238 174.738 174.900 0.127 0.000 0.966 288 G CA -0.299 44.816 45.100 0.025 0.000 1.149 288 G HN 0.089 nan 8.290 nan 0.000 0.402 289 Y N 2.960 123.374 120.300 0.190 0.000 2.616 289 Y HA 0.062 4.612 4.550 -0.000 0.000 0.296 289 Y C 2.498 178.434 175.900 0.059 0.000 1.154 289 Y CA 1.633 59.831 58.100 0.163 0.000 1.325 289 Y CB 0.104 38.643 38.460 0.131 0.000 1.007 289 Y HN 0.476 nan 8.280 nan 0.000 0.542 290 D N -1.111 119.412 120.400 0.206 0.000 2.378 290 D HA -0.036 4.604 4.640 -0.000 0.000 0.227 290 D C 1.522 177.876 176.300 0.089 0.000 1.012 290 D CA 0.850 54.926 54.000 0.127 0.000 0.905 290 D CB -0.257 40.606 40.800 0.105 0.000 0.895 290 D HN 0.208 nan 8.370 nan 0.000 0.532 291 A N -0.340 122.556 122.820 0.127 0.000 2.387 291 A HA 0.610 4.930 4.320 -0.000 0.000 0.234 291 A C 0.967 178.499 177.584 -0.086 0.000 1.253 291 A CA 0.002 52.113 52.037 0.124 0.000 0.894 291 A CB 0.033 19.220 19.000 0.312 0.000 0.963 291 A HN 0.296 nan 8.150 nan 0.000 0.508 292 A N 0.251 122.847 122.820 -0.374 0.000 2.276 292 A HA 0.557 4.877 4.320 -0.000 0.000 0.316 292 A C 0.472 177.565 177.584 -0.817 0.000 1.229 292 A CA -0.304 51.092 52.037 -1.069 0.000 0.851 292 A CB 0.023 18.025 19.000 -1.663 0.000 1.165 292 A HN 0.651 nan 8.150 nan 0.000 0.513 293 H N -0.122 118.613 119.070 -0.557 0.000 2.563 293 H HA 0.207 4.762 4.556 -0.000 0.000 0.264 293 H C -0.290 174.830 175.328 -0.347 0.000 0.957 293 H CA 0.216 56.057 56.048 -0.345 0.000 1.173 293 H CB -0.532 29.091 29.762 -0.231 0.000 1.420 293 H HN 0.706 nan 8.280 nan 0.000 0.551 294 Y N -0.590 119.387 120.300 -0.539 0.000 4.409 294 Y HA -0.228 4.322 4.550 -0.000 0.000 0.228 294 Y C -0.349 175.133 175.900 -0.698 0.000 1.108 294 Y CA 0.311 57.880 58.100 -0.884 0.000 1.955 294 Y CB -2.203 35.815 38.460 -0.738 0.000 1.615 294 Y HN 0.267 nan 8.280 nan 0.000 0.665 295 L N -0.125 121.099 121.223 0.001 0.000 2.313 295 L HA 0.513 4.852 4.340 -0.000 0.000 0.268 295 L C 0.427 177.432 176.870 0.225 0.000 1.010 295 L CA -1.225 53.593 54.840 -0.037 0.000 0.814 295 L CB 1.375 43.237 42.059 -0.329 0.000 1.304 295 L HN -0.068 nan 8.230 nan 0.000 0.441 296 L N 1.848 123.211 121.223 0.234 0.000 2.385 296 L HA 0.155 4.495 4.340 -0.000 0.000 0.285 296 L C 0.677 177.705 176.870 0.263 0.000 1.125 296 L CA -0.185 54.867 54.840 0.352 0.000 0.890 296 L CB 0.489 42.765 42.059 0.362 0.000 1.251 296 L HN 0.746 nan 8.230 nan 0.000 0.445 297 S N 2.045 117.900 115.700 0.259 0.000 2.626 297 S HA 0.031 4.501 4.470 -0.000 0.000 0.257 297 S C 0.989 175.686 174.600 0.162 0.000 1.288 297 S CA -0.610 57.662 58.200 0.120 0.000 0.980 297 S CB 0.619 63.867 63.200 0.080 0.000 0.975 297 S HN 0.724 nan 8.310 nan 0.000 0.577 298 W N 1.295 122.482 121.300 -0.190 0.000 2.421 298 W HA 0.028 4.687 4.660 -0.000 0.000 0.270 298 W C -0.139 176.453 176.519 0.121 0.000 1.233 298 W CA 1.419 58.653 57.345 -0.184 0.000 1.226 298 W CB -0.176 29.125 29.460 -0.266 0.000 1.121 298 W HN 0.829 nan 8.180 nan 0.000 0.579 299 Y N -2.612 117.843 120.300 0.258 0.000 2.851 299 Y HA 0.370 4.920 4.550 -0.000 0.000 0.359 299 Y C -1.827 174.266 175.900 0.320 0.000 1.231 299 Y CA -2.550 55.673 58.100 0.205 0.000 1.106 299 Y CB -0.353 38.193 38.460 0.143 0.000 1.409 299 Y HN -0.010 nan 8.280 nan 0.000 0.454 300 Y N 0.220 120.847 120.300 0.544 0.000 2.504 300 Y HA 1.041 5.591 4.550 -0.000 0.000 0.344 300 Y C -1.236 174.992 175.900 0.546 0.000 1.023 300 Y CA -1.343 57.037 58.100 0.466 0.000 1.020 300 Y CB 1.679 40.335 38.460 0.327 0.000 1.282 300 Y HN 1.280 nan 8.280 nan 0.000 0.454 301 A N 2.787 126.012 122.820 0.676 0.000 2.566 301 A HA 0.911 5.230 4.320 -0.000 0.000 0.292 301 A C -1.961 175.920 177.584 0.494 0.000 1.112 301 A CA -0.499 51.860 52.037 0.537 0.000 0.707 301 A CB 1.327 20.570 19.000 0.404 0.000 1.302 301 A HN 1.402 nan 8.150 nan 0.000 0.409 302 W N -0.429 120.713 121.300 -0.263 0.000 3.074 302 W HA 0.772 5.432 4.660 -0.000 0.000 0.332 302 W C -0.261 175.578 176.519 -1.134 0.000 1.253 302 W CA -0.306 56.526 57.345 -0.855 0.000 1.180 302 W CB 0.741 29.960 29.460 -0.401 0.000 1.445 302 W HN 1.551 nan 8.180 nan 0.000 0.573 303 G N -0.106 107.738 108.800 -1.594 0.000 2.488 303 G HA2 0.739 4.699 3.960 -0.000 0.000 0.301 303 G HA3 0.739 4.699 3.960 -0.000 0.000 0.301 303 G C -0.958 173.105 174.900 -1.396 0.000 1.339 303 G CA -0.022 44.284 45.100 -1.323 0.000 0.803 303 G HN 1.749 nan 8.290 nan 0.000 0.482 304 G N -2.040 105.639 108.800 -1.869 0.000 2.441 304 G HA2 0.670 4.630 3.960 -0.000 0.000 0.294 304 G HA3 0.670 4.630 3.960 -0.000 0.000 0.294 304 G C -0.111 173.603 174.900 -1.977 0.000 1.393 304 G CA 0.411 44.491 45.100 -1.699 0.000 0.796 304 G HN 1.554 nan 8.290 nan 0.000 0.494 305 G N -1.215 106.277 108.800 -2.179 0.000 2.527 305 G HA2 0.482 4.442 3.960 -0.000 0.000 0.248 305 G HA3 0.482 4.442 3.960 -0.000 0.000 0.248 305 G C 0.706 175.304 174.900 -0.503 0.000 1.231 305 G CA -0.407 43.945 45.100 -1.248 0.000 0.838 305 G HN 0.545 nan 8.290 nan 0.000 0.570 306 I N 0.164 120.546 120.570 -0.314 0.000 2.927 306 I HA 0.059 4.229 4.170 -0.000 0.000 0.268 306 I C 1.455 177.526 176.117 -0.076 0.000 1.153 306 I CA 0.575 61.727 61.300 -0.247 0.000 1.459 306 I CB 0.248 37.967 38.000 -0.468 0.000 1.149 306 I HN 0.569 nan 8.210 nan 0.000 0.443 307 D N -0.133 120.244 120.400 -0.039 0.000 2.431 307 D HA 0.061 4.701 4.640 -0.000 0.000 0.213 307 D C 0.217 176.560 176.300 0.071 0.000 1.130 307 D CA 0.104 54.120 54.000 0.027 0.000 0.834 307 D CB 0.177 40.991 40.800 0.023 0.000 0.985 307 D HN 0.224 nan 8.370 nan 0.000 0.504 308 S N -0.685 115.067 115.700 0.088 0.000 2.541 308 S HA 0.520 4.989 4.470 -0.000 0.000 0.271 308 S C -0.389 174.280 174.600 0.114 0.000 1.133 308 S CA -0.828 57.481 58.200 0.182 0.000 0.876 308 S CB 1.337 64.743 63.200 0.343 0.000 1.105 308 S HN 0.113 nan 8.310 nan 0.000 0.470 309 T N 1.263 115.920 114.554 0.172 0.000 2.727 309 T HA 0.664 5.013 4.350 -0.000 0.000 0.298 309 T C -0.255 174.602 174.700 0.261 0.000 0.942 309 T CA -0.515 61.650 62.100 0.107 0.000 0.997 309 T CB -0.515 68.420 68.868 0.113 0.000 0.917 309 T HN 1.077 nan 8.240 nan 0.000 0.487 310 W N 1.193 122.542 121.300 0.083 0.000 3.173 310 W HA 0.551 5.211 4.660 -0.000 0.000 0.313 310 W C -1.622 174.962 176.519 0.108 0.000 1.228 310 W CA -0.972 56.432 57.345 0.098 0.000 1.185 310 W CB 0.273 29.784 29.460 0.085 0.000 1.390 310 W HN 0.901 nan 8.180 nan 0.000 0.568 311 S N 0.646 116.589 115.700 0.405 0.000 2.625 311 S HA 0.866 5.336 4.470 -0.000 0.000 0.271 311 S C -1.252 173.683 174.600 0.557 0.000 1.161 311 S CA -0.771 57.571 58.200 0.236 0.000 0.820 311 S CB 2.572 65.833 63.200 0.101 0.000 1.137 311 S HN 1.228 nan 8.310 nan 0.000 0.470 312 W N -0.311 121.219 121.300 0.382 0.000 3.137 312 W HA 0.801 5.461 4.660 -0.000 0.000 0.324 312 W C -2.449 174.283 176.519 0.354 0.000 1.253 312 W CA -1.276 56.338 57.345 0.449 0.000 1.183 312 W CB 0.427 30.111 29.460 0.374 0.000 1.424 312 W HN 0.747 nan 8.180 nan 0.000 0.566 313 I N 3.126 124.087 120.570 0.652 0.000 2.722 313 I HA 0.520 4.689 4.170 -0.000 0.000 0.295 313 I C -0.425 176.063 176.117 0.619 0.000 1.161 313 I CA -1.191 60.324 61.300 0.358 0.000 1.032 313 I CB 2.557 40.453 38.000 -0.173 0.000 1.244 313 I HN 0.483 nan 8.210 nan 0.000 0.421 314 I N 0.799 121.703 120.570 0.558 0.000 2.865 314 I HA 0.888 5.058 4.170 -0.000 0.000 0.302 314 I C -0.043 176.265 176.117 0.319 0.000 1.140 314 I CA -0.487 61.064 61.300 0.418 0.000 1.021 314 I CB 2.158 40.343 38.000 0.309 0.000 1.233 314 I HN 0.587 nan 8.210 nan 0.000 0.427 315 G N 1.916 110.760 108.800 0.074 0.000 3.022 315 G HA2 0.610 4.570 3.960 -0.000 0.000 0.157 315 G HA3 0.610 4.570 3.960 -0.000 0.000 0.157 315 G C -0.833 174.042 174.900 -0.041 0.000 1.468 315 G CA -0.452 44.696 45.100 0.080 0.000 1.058 315 G HN 0.756 nan 8.290 nan 0.000 0.581 316 S N -2.311 113.293 115.700 -0.160 0.000 2.543 316 S HA 0.470 4.939 4.470 -0.000 0.000 0.271 316 S C 0.392 174.854 174.600 -0.231 0.000 1.148 316 S CA -0.178 57.772 58.200 -0.418 0.000 0.914 316 S CB 1.660 64.366 63.200 -0.823 0.000 1.096 316 S HN 0.337 nan 8.310 nan 0.000 0.471 317 S N 2.247 117.702 115.700 -0.407 0.000 2.501 317 S HA 0.142 4.612 4.470 -0.000 0.000 0.220 317 S C 0.123 174.521 174.600 -0.336 0.000 0.997 317 S CA 0.229 58.243 58.200 -0.310 0.000 0.919 317 S CB -0.182 62.810 63.200 -0.347 0.000 0.778 317 S HN 0.747 nan 8.310 nan 0.000 0.523 318 H N 2.612 121.561 119.070 -0.200 0.000 2.517 318 H HA 0.451 5.007 4.556 -0.000 0.000 0.317 318 H C -0.263 174.957 175.328 -0.181 0.000 1.080 318 H CA -0.446 55.474 56.048 -0.213 0.000 1.301 318 H CB 0.309 29.895 29.762 -0.292 0.000 1.425 318 H HN 0.149 nan 8.280 nan 0.000 0.471 319 N N 2.096 120.778 118.700 -0.030 0.000 2.314 319 N HA 0.111 4.851 4.740 -0.000 0.000 0.294 319 N C -0.833 174.789 175.510 0.187 0.000 1.029 319 N CA -0.477 52.556 53.050 -0.028 0.000 0.845 319 N CB 2.450 40.735 38.487 -0.338 0.000 1.321 319 N HN 0.592 nan 8.380 nan 0.000 0.481 320 H N 2.132 121.289 119.070 0.144 0.000 2.529 320 H HA 0.129 4.685 4.556 -0.000 0.000 0.348 320 H C 0.525 175.978 175.328 0.208 0.000 1.079 320 H CA -0.680 55.466 56.048 0.163 0.000 1.198 320 H CB 1.067 30.898 29.762 0.115 0.000 1.521 320 H HN 0.572 nan 8.280 nan 0.000 0.514 321 F N 3.241 123.318 119.950 0.213 0.000 2.250 321 F HA 0.029 4.556 4.527 -0.000 0.000 0.301 321 F C 1.759 177.691 175.800 0.220 0.000 1.077 321 F CA 1.345 59.356 58.000 0.018 0.000 1.348 321 F CB -0.650 38.135 39.000 -0.358 0.000 1.040 321 F HN 0.520 nan 8.300 nan 0.000 0.509 322 G N -0.943 107.441 108.800 -0.693 0.000 2.498 322 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.219 322 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.219 322 G C 1.091 176.004 174.900 0.021 0.000 1.119 322 G CA 0.662 45.381 45.100 -0.636 0.000 0.766 322 G HN 0.483 nan 8.290 nan 0.000 0.552 323 Y N 0.495 120.728 120.300 -0.112 0.000 2.500 323 Y HA 0.215 4.765 4.550 -0.000 0.000 0.270 323 Y C 1.396 177.322 175.900 0.043 0.000 1.134 323 Y CA -0.641 57.429 58.100 -0.050 0.000 1.293 323 Y CB 0.019 38.444 38.460 -0.058 0.000 1.063 323 Y HN 0.117 nan 8.280 nan 0.000 0.534 324 Q N 0.886 120.811 119.800 0.208 0.000 2.421 324 Q HA 0.048 4.388 4.340 -0.000 0.000 0.255 324 Q C -0.085 176.082 176.000 0.278 0.000 1.013 324 Q CA 0.365 56.307 55.803 0.232 0.000 0.895 324 Q CB 0.472 29.288 28.738 0.130 0.000 1.271 324 Q HN 0.148 nan 8.270 nan 0.000 0.460 325 N N 1.410 120.294 118.700 0.306 0.000 2.732 325 N HA 0.213 4.953 4.740 -0.000 0.000 0.247 325 N C -2.443 173.233 175.510 0.278 0.000 1.305 325 N CA -1.413 51.789 53.050 0.254 0.000 0.762 325 N CB 1.163 39.745 38.487 0.157 0.000 1.361 325 N HN 0.044 nan 8.380 nan 0.000 0.545 326 P HA -0.014 nan 4.420 nan 0.000 0.220 326 P C 1.233 178.646 177.300 0.190 0.000 1.148 326 P CA 0.567 63.813 63.100 0.244 0.000 0.803 326 P CB 0.162 31.976 31.700 0.190 0.000 0.782 327 F N 0.945 120.913 119.950 0.032 0.000 2.113 327 F HA -0.109 4.418 4.527 -0.000 0.000 0.297 327 F C 2.239 178.001 175.800 -0.063 0.000 1.103 327 F CA 1.507 59.492 58.000 -0.024 0.000 1.248 327 F CB -0.861 38.089 39.000 -0.084 0.000 0.999 327 F HN -0.141 nan 8.300 nan 0.000 0.475 328 A N 0.248 123.049 122.820 -0.032 0.000 1.933 328 A HA -0.084 4.236 4.320 -0.000 0.000 0.218 328 A C 2.375 179.710 177.584 -0.415 0.000 1.175 328 A CA 1.768 53.644 52.037 -0.270 0.000 0.628 328 A CB -1.533 17.357 19.000 -0.184 0.000 0.814 328 A HN 0.483 nan 8.150 nan 0.000 0.444 329 A N -1.573 121.171 122.820 -0.126 0.000 1.933 329 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 329 A C 1.968 179.534 177.584 -0.030 0.000 1.175 329 A CA 1.542 53.627 52.037 0.079 0.000 0.628 329 A CB -0.837 18.421 19.000 0.431 0.000 0.814 329 A HN 0.885 nan 8.150 nan 0.000 0.444 330 W N 0.628 121.757 121.300 -0.285 0.000 2.381 330 W HA -0.143 4.517 4.660 -0.000 0.000 0.301 330 W C 1.901 178.117 176.519 -0.504 0.000 1.205 330 W CA 2.027 59.157 57.345 -0.358 0.000 1.285 330 W CB -0.423 28.772 29.460 -0.441 0.000 1.133 330 W HN 0.087 nan 8.180 nan 0.000 0.521 331 V N 1.458 120.870 119.914 -0.837 0.000 2.255 331 V HA -0.335 3.785 4.120 -0.000 0.000 0.247 331 V C 2.350 177.995 176.094 -0.749 0.000 1.051 331 V CA 2.229 63.860 62.300 -1.116 0.000 1.018 331 V CB -1.105 30.015 31.823 -1.171 0.000 0.641 331 V HN 0.227 nan 8.190 nan 0.000 0.445 332 L N 0.708 121.571 121.223 -0.601 0.000 2.275 332 L HA -0.080 4.259 4.340 -0.000 0.000 0.215 332 L C 2.315 179.043 176.870 -0.237 0.000 1.119 332 L CA 1.510 56.089 54.840 -0.434 0.000 0.790 332 L CB -0.475 41.099 42.059 -0.808 0.000 0.919 332 L HN 0.543 nan 8.230 nan 0.000 0.443 333 S N -2.900 112.657 115.700 -0.239 0.000 2.511 333 S HA -0.007 4.463 4.470 -0.000 0.000 0.214 333 S C 1.604 176.060 174.600 -0.239 0.000 0.997 333 S CA 0.433 58.561 58.200 -0.120 0.000 0.908 333 S CB 0.074 63.275 63.200 0.001 0.000 0.803 333 S HN 0.474 nan 8.310 nan 0.000 0.504 334 T N -2.292 111.981 114.554 -0.469 0.000 2.989 334 T HA 0.205 4.554 4.350 -0.000 0.000 0.250 334 T C 0.178 174.600 174.700 -0.463 0.000 0.981 334 T CA -0.042 61.761 62.100 -0.495 0.000 0.980 334 T CB -0.318 68.111 68.868 -0.732 0.000 1.133 334 T HN 0.215 nan 8.240 nan 0.000 0.489 335 D N 1.569 121.637 120.400 -0.552 0.000 2.317 335 D HA 0.465 5.105 4.640 -0.000 0.000 0.252 335 D C 1.382 177.598 176.300 -0.139 0.000 1.174 335 D CA 0.240 54.041 54.000 -0.332 0.000 0.866 335 D CB 1.759 42.366 40.800 -0.322 0.000 1.127 335 D HN 0.316 nan 8.370 nan 0.000 0.467 336 A N 4.989 127.745 122.820 -0.106 0.000 1.978 336 A HA -0.214 4.105 4.320 -0.000 0.000 0.220 336 A C 1.791 179.334 177.584 -0.069 0.000 1.170 336 A CA 1.034 53.023 52.037 -0.080 0.000 0.636 336 A CB -0.189 18.766 19.000 -0.075 0.000 0.810 336 A HN 0.659 nan 8.150 nan 0.000 0.448 337 N N -1.202 117.473 118.700 -0.041 0.000 2.396 337 N HA -0.049 4.691 4.740 -0.000 0.000 0.180 337 N C 0.065 175.416 175.510 -0.265 0.000 1.028 337 N CA 0.979 53.952 53.050 -0.129 0.000 0.893 337 N CB -0.188 38.234 38.487 -0.108 0.000 0.967 337 N HN 0.515 nan 8.380 nan 0.000 0.440 338 F N 0.882 120.739 119.950 -0.156 0.000 2.772 338 F HA 0.269 4.796 4.527 -0.000 0.000 0.302 338 F C 0.763 176.466 175.800 -0.161 0.000 1.136 338 F CA -0.529 57.373 58.000 -0.163 0.000 1.322 338 F CB 0.258 39.135 39.000 -0.204 0.000 0.967 338 F HN -0.314 nan 8.300 nan 0.000 0.513 339 K N 2.576 122.962 120.400 -0.024 0.000 2.349 339 K HA 0.228 4.548 4.320 -0.000 0.000 0.289 339 K C -2.467 174.124 176.600 -0.016 0.000 1.064 339 K CA -1.702 54.567 56.287 -0.031 0.000 0.947 339 K CB 0.592 33.061 32.500 -0.052 0.000 1.007 339 K HN -0.055 nan 8.250 nan 0.000 0.478 340 P HA -0.006 nan 4.420 nan 0.000 0.266 340 P C -0.293 177.015 177.300 0.013 0.000 1.195 340 P CA 0.032 63.170 63.100 0.062 0.000 0.768 340 P CB 0.653 32.430 31.700 0.128 0.000 0.838 341 K N 0.724 121.122 120.400 -0.003 0.000 2.283 341 K HA -0.021 4.299 4.320 -0.000 0.000 0.202 341 K C 1.014 177.506 176.600 -0.180 0.000 1.048 341 K CA 0.667 56.875 56.287 -0.132 0.000 0.948 341 K CB -0.208 32.137 32.500 -0.259 0.000 0.742 341 K HN 0.604 nan 8.250 nan 0.000 0.458 342 S N 0.624 116.236 115.700 -0.147 0.000 2.576 342 S HA -0.025 4.445 4.470 -0.000 0.000 0.272 342 S C 1.414 175.973 174.600 -0.069 0.000 1.352 342 S CA -0.097 58.023 58.200 -0.135 0.000 1.021 342 S CB 1.494 64.643 63.200 -0.086 0.000 0.887 342 S HN 0.273 nan 8.310 nan 0.000 0.542 343 S N 1.728 117.391 115.700 -0.060 0.000 2.370 343 S HA -0.187 4.283 4.470 -0.000 0.000 0.226 343 S C 1.101 175.700 174.600 -0.002 0.000 1.033 343 S CA 1.344 59.525 58.200 -0.032 0.000 1.011 343 S CB -0.978 62.207 63.200 -0.025 0.000 0.852 343 S HN 0.860 nan 8.310 nan 0.000 0.457 344 N N 0.852 119.568 118.700 0.026 0.000 2.203 344 N HA 0.221 4.961 4.740 -0.000 0.000 0.207 344 N C 1.608 177.166 175.510 0.080 0.000 1.130 344 N CA 0.292 53.372 53.050 0.050 0.000 0.861 344 N CB 0.180 38.724 38.487 0.096 0.000 1.005 344 N HN 0.544 nan 8.380 nan 0.000 0.507 345 G N 1.820 110.672 108.800 0.086 0.000 2.553 345 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.218 345 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.218 345 G C 1.614 176.677 174.900 0.271 0.000 1.195 345 G CA 1.188 46.392 45.100 0.173 0.000 0.779 345 G HN 0.337 nan 8.290 nan 0.000 0.577 346 A N 0.929 123.850 122.820 0.169 0.000 1.902 346 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 346 A C 2.768 180.428 177.584 0.127 0.000 1.181 346 A CA 2.855 54.979 52.037 0.146 0.000 0.623 346 A CB -0.769 18.254 19.000 0.039 0.000 0.818 346 A HN 0.835 nan 8.150 nan 0.000 0.443 347 S N -0.045 115.691 115.700 0.060 0.000 2.402 347 S HA -0.152 4.317 4.470 -0.000 0.000 0.229 347 S C 1.394 175.982 174.600 -0.020 0.000 1.021 347 S CA 1.305 59.504 58.200 -0.003 0.000 0.974 347 S CB -0.442 62.730 63.200 -0.047 0.000 0.800 347 S HN 0.496 nan 8.310 nan 0.000 0.484 348 D N 0.824 121.245 120.400 0.035 0.000 2.117 348 D HA -0.022 4.618 4.640 -0.000 0.000 0.198 348 D C 1.354 177.657 176.300 0.006 0.000 0.982 348 D CA 0.868 54.892 54.000 0.041 0.000 0.828 348 D CB -0.436 40.468 40.800 0.174 0.000 0.967 348 D HN 0.600 nan 8.370 nan 0.000 0.464 349 W N 1.537 122.935 121.300 0.164 0.000 2.425 349 W HA -0.010 4.650 4.660 -0.000 0.000 0.277 349 W C 2.465 178.982 176.519 -0.004 0.000 1.231 349 W CA 0.923 58.352 57.345 0.141 0.000 1.248 349 W CB -0.077 29.449 29.460 0.110 0.000 1.117 349 W HN -0.061 nan 8.180 nan 0.000 0.568 350 A N 0.501 123.404 122.820 0.138 0.000 1.898 350 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 350 A C 1.881 179.421 177.584 -0.073 0.000 1.181 350 A CA 1.617 53.672 52.037 0.030 0.000 0.620 350 A CB -0.544 18.446 19.000 -0.017 0.000 0.819 350 A HN 0.263 nan 8.150 nan 0.000 0.442 351 K N -0.402 119.866 120.400 -0.220 0.000 2.097 351 K HA -0.086 4.234 4.320 -0.000 0.000 0.205 351 K C 2.393 178.729 176.600 -0.440 0.000 1.050 351 K CA 1.284 57.299 56.287 -0.452 0.000 0.938 351 K CB -0.203 31.762 32.500 -0.891 0.000 0.718 351 K HN 0.432 nan 8.250 nan 0.000 0.442 352 S N 1.263 116.744 115.700 -0.366 0.000 2.368 352 S HA -0.120 4.350 4.470 -0.000 0.000 0.224 352 S C 1.937 176.504 174.600 -0.054 0.000 1.029 352 S CA 0.823 58.827 58.200 -0.326 0.000 0.988 352 S CB -0.201 62.696 63.200 -0.505 0.000 0.838 352 S HN 0.245 nan 8.310 nan 0.000 0.462 353 L N 2.247 123.511 121.223 0.069 0.000 2.013 353 L HA -0.128 4.212 4.340 -0.000 0.000 0.212 353 L C 1.764 178.691 176.870 0.094 0.000 1.073 353 L CA 2.365 57.286 54.840 0.134 0.000 0.753 353 L CB -1.024 41.126 42.059 0.153 0.000 0.890 353 L HN 0.223 nan 8.230 nan 0.000 0.432 354 D N -0.827 119.592 120.400 0.031 0.000 2.117 354 D HA -0.188 4.452 4.640 -0.000 0.000 0.198 354 D C 2.294 178.634 176.300 0.067 0.000 0.982 354 D CA 1.101 55.129 54.000 0.046 0.000 0.828 354 D CB -0.138 40.662 40.800 -0.000 0.000 0.967 354 D HN 0.198 nan 8.370 nan 0.000 0.464 355 R N 1.141 121.629 120.500 -0.020 0.000 2.092 355 R HA -0.056 4.284 4.340 -0.000 0.000 0.231 355 R C 2.120 178.496 176.300 0.127 0.000 1.119 355 R CA 1.318 57.418 56.100 -0.000 0.000 0.970 355 R CB -0.427 29.775 30.300 -0.164 0.000 0.864 355 R HN 0.235 nan 8.270 nan 0.000 0.440 356 Q N -0.289 119.582 119.800 0.119 0.000 2.050 356 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 356 Q C 2.115 178.343 176.000 0.380 0.000 0.980 356 Q CA 1.730 57.669 55.803 0.227 0.000 0.840 356 Q CB -0.165 28.736 28.738 0.272 0.000 0.898 356 Q HN 0.337 nan 8.270 nan 0.000 0.424 357 L N 0.525 121.935 121.223 0.311 0.000 2.191 357 L HA -0.186 4.154 4.340 -0.000 0.000 0.212 357 L C 2.120 179.125 176.870 0.226 0.000 1.103 357 L CA 1.007 56.016 54.840 0.281 0.000 0.769 357 L CB -0.256 41.903 42.059 0.166 0.000 0.908 357 L HN 0.261 nan 8.230 nan 0.000 0.438 358 E N -0.574 119.757 120.200 0.218 0.000 2.107 358 E HA -0.210 4.140 4.350 -0.000 0.000 0.191 358 E C 2.008 178.538 176.600 -0.117 0.000 0.982 358 E CA 0.908 57.373 56.400 0.107 0.000 0.809 358 E CB -0.060 29.837 29.700 0.328 0.000 0.756 358 E HN 0.309 nan 8.360 nan 0.000 0.459 359 F N 0.676 120.507 119.950 -0.198 0.000 2.102 359 F HA -0.239 4.288 4.527 -0.000 0.000 0.298 359 F C 1.796 177.422 175.800 -0.289 0.000 1.105 359 F CA 1.421 59.075 58.000 -0.576 0.000 1.239 359 F CB -0.549 38.157 39.000 -0.490 0.000 0.991 359 F HN 0.013 nan 8.300 nan 0.000 0.474 360 Y N 0.006 120.221 120.300 -0.141 0.000 2.128 360 Y HA -0.305 4.245 4.550 -0.000 0.000 0.284 360 Y C 2.752 178.473 175.900 -0.297 0.000 1.154 360 Y CA 2.104 60.070 58.100 -0.224 0.000 1.149 360 Y CB -1.008 37.399 38.460 -0.089 0.000 0.976 360 Y HN 0.119 nan 8.280 nan 0.000 0.505 361 Q N -0.603 119.160 119.800 -0.061 0.000 2.084 361 Q HA -0.235 4.105 4.340 -0.000 0.000 0.202 361 Q C 2.002 177.946 176.000 -0.093 0.000 0.978 361 Q CA 1.955 57.659 55.803 -0.165 0.000 0.844 361 Q CB -0.785 27.934 28.738 -0.031 0.000 0.898 361 Q HN 0.589 nan 8.270 nan 0.000 0.426 362 W N 0.058 121.115 121.300 -0.405 0.000 2.350 362 W HA -0.095 4.565 4.660 -0.000 0.000 0.289 362 W C 0.823 177.236 176.519 -0.178 0.000 1.215 362 W CA 1.350 58.567 57.345 -0.214 0.000 1.236 362 W CB -0.113 29.079 29.460 -0.447 0.000 1.130 362 W HN 0.204 nan 8.180 nan 0.000 0.541 363 L N 0.604 121.526 121.223 -0.502 0.000 2.591 363 L HA 0.101 4.440 4.340 -0.000 0.000 0.228 363 L C 1.167 177.751 176.870 -0.477 0.000 1.133 363 L CA 0.027 54.441 54.840 -0.710 0.000 0.880 363 L CB -0.709 40.853 42.059 -0.828 0.000 1.033 363 L HN -0.136 nan 8.230 nan 0.000 0.450 364 Q N 1.719 121.351 119.800 -0.279 0.000 2.281 364 Q HA 0.116 4.456 4.340 -0.000 0.000 0.267 364 Q C 0.515 176.504 176.000 -0.019 0.000 1.053 364 Q CA -0.296 55.407 55.803 -0.167 0.000 0.905 364 Q CB 0.843 29.435 28.738 -0.243 0.000 1.195 364 Q HN 0.373 nan 8.270 nan 0.000 0.398 365 S N 2.953 118.616 115.700 -0.062 0.000 2.596 365 S HA 0.230 4.700 4.470 -0.000 0.000 0.260 365 S C 1.173 175.765 174.600 -0.013 0.000 1.336 365 S CA -0.174 57.997 58.200 -0.048 0.000 0.993 365 S CB 1.048 64.260 63.200 0.021 0.000 0.923 365 S HN 0.769 nan 8.310 nan 0.000 0.567 366 A N 0.655 123.425 122.820 -0.083 0.000 1.940 366 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 366 A C 2.004 179.608 177.584 0.033 0.000 1.176 366 A CA 1.892 53.915 52.037 -0.025 0.000 0.631 366 A CB -1.118 17.846 19.000 -0.060 0.000 0.814 366 A HN 0.880 nan 8.150 nan 0.000 0.446 367 E N -1.919 118.270 120.200 -0.018 0.000 2.112 367 E HA 0.263 4.613 4.350 -0.000 0.000 0.190 367 E C 1.550 178.075 176.600 -0.125 0.000 0.979 367 E CA 1.253 57.616 56.400 -0.063 0.000 0.814 367 E CB -0.111 29.480 29.700 -0.182 0.000 0.762 367 E HN 0.713 nan 8.360 nan 0.000 0.460 368 G N -0.790 107.878 108.800 -0.220 0.000 2.901 368 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.194 368 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.194 368 G C 0.404 175.198 174.900 -0.177 0.000 1.020 368 G CA -0.258 44.775 45.100 -0.111 0.000 0.787 368 G HN 0.483 nan 8.290 nan 0.000 0.477 369 A N 1.513 123.914 122.820 -0.699 0.000 2.425 369 A HA 0.583 4.903 4.320 -0.000 0.000 0.242 369 A C 0.466 178.008 177.584 -0.069 0.000 1.077 369 A CA 0.222 51.958 52.037 -0.502 0.000 0.781 369 A CB 0.114 18.497 19.000 -1.029 0.000 1.020 369 A HN 0.557 nan 8.150 nan 0.000 0.494 370 I N 1.444 121.943 120.570 -0.118 0.000 2.342 370 I HA 0.398 4.568 4.170 -0.000 0.000 0.291 370 I C 1.009 176.613 176.117 -0.854 0.000 1.010 370 I CA -0.200 60.745 61.300 -0.592 0.000 1.308 370 I CB 0.230 37.553 38.000 -1.129 0.000 1.400 370 I HN 0.726 nan 8.210 nan 0.000 0.488 371 A N 4.898 127.160 122.820 -0.931 0.000 2.280 371 A HA 0.584 4.904 4.320 -0.000 0.000 0.268 371 A C 1.437 178.496 177.584 -0.875 0.000 1.111 371 A CA 0.265 51.543 52.037 -1.266 0.000 0.814 371 A CB -0.283 18.164 19.000 -0.921 0.000 1.093 371 A HN 0.892 nan 8.150 nan 0.000 0.498 372 G N -0.646 107.673 108.800 -0.801 0.000 2.838 372 G HA2 0.283 4.243 3.960 -0.000 0.000 0.215 372 G HA3 0.283 4.243 3.960 -0.000 0.000 0.215 372 G C 0.908 175.494 174.900 -0.525 0.000 1.327 372 G CA 1.795 46.510 45.100 -0.642 0.000 0.802 372 G HN 2.102 nan 8.290 nan 0.000 0.658 373 G N -2.266 106.284 108.800 -0.417 0.000 2.452 373 G HA2 0.631 4.590 3.960 -0.000 0.000 0.224 373 G HA3 0.631 4.590 3.960 -0.000 0.000 0.224 373 G C -1.254 173.755 174.900 0.182 0.000 1.208 373 G CA 0.381 45.449 45.100 -0.053 0.000 0.946 373 G HN 1.660 nan 8.290 nan 0.000 0.481 374 A N -1.728 121.308 122.820 0.360 0.000 2.602 374 A HA 0.958 5.278 4.320 -0.000 0.000 0.290 374 A C -0.673 177.020 177.584 0.181 0.000 1.114 374 A CA 0.437 52.681 52.037 0.345 0.000 0.683 374 A CB 1.529 20.872 19.000 0.571 0.000 1.281 374 A HN 1.897 nan 8.150 nan 0.000 0.416 375 T N -0.966 113.718 114.554 0.216 0.000 2.900 375 T HA 0.465 4.815 4.350 -0.000 0.000 0.303 375 T C -0.083 174.749 174.700 0.220 0.000 1.142 375 T CA -0.261 61.952 62.100 0.188 0.000 1.007 375 T CB 1.590 70.601 68.868 0.238 0.000 1.156 375 T HN 0.697 nan 8.240 nan 0.000 0.490 376 N N 1.473 120.267 118.700 0.157 0.000 2.236 376 N HA 0.220 4.959 4.740 -0.000 0.000 0.196 376 N C -0.364 175.317 175.510 0.285 0.000 1.114 376 N CA -0.046 53.136 53.050 0.220 0.000 0.859 376 N CB 0.557 39.167 38.487 0.206 0.000 0.982 376 N HN 0.337 nan 8.380 nan 0.000 0.493 377 S N 0.336 116.132 115.700 0.160 0.000 2.395 377 S HA 0.156 4.626 4.470 -0.000 0.000 0.207 377 S C -1.263 173.403 174.600 0.110 0.000 1.454 377 S CA -0.742 57.455 58.200 -0.005 0.000 1.211 377 S CB -0.310 62.590 63.200 -0.500 0.000 1.093 377 S HN 0.286 nan 8.310 nan 0.000 0.472 378 W N 4.673 126.003 121.300 0.049 0.000 2.347 378 W HA 0.027 4.687 4.660 -0.000 0.000 0.333 378 W C 0.196 176.723 176.519 0.013 0.000 1.383 378 W CA 0.604 57.975 57.345 0.044 0.000 1.283 378 W CB 0.060 29.559 29.460 0.065 0.000 1.253 378 W HN 0.834 nan 8.180 nan 0.000 0.563 379 N N 2.740 121.148 118.700 -0.486 0.000 2.778 379 N HA -0.211 4.529 4.740 -0.000 0.000 0.249 379 N C 0.855 176.266 175.510 -0.165 0.000 1.069 379 N CA 1.927 54.791 53.050 -0.309 0.000 0.831 379 N CB -1.550 36.864 38.487 -0.122 0.000 1.142 379 N HN 0.879 nan 8.380 nan 0.000 0.573 380 G N -0.317 108.412 108.800 -0.118 0.000 2.168 380 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.257 380 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.257 380 G C 0.599 175.392 174.900 -0.178 0.000 0.997 380 G CA 0.813 45.848 45.100 -0.108 0.000 0.708 380 G HN 0.593 nan 8.290 nan 0.000 0.520 381 R N -1.483 118.947 120.500 -0.117 0.000 2.592 381 R HA 0.312 4.651 4.340 -0.000 0.000 0.439 381 R C 0.258 176.651 176.300 0.155 0.000 0.995 381 R CA -0.511 55.609 56.100 0.034 0.000 1.141 381 R CB 0.498 30.832 30.300 0.056 0.000 1.495 381 R HN 0.397 nan 8.270 nan 0.000 0.579 382 Y N 0.757 121.173 120.300 0.193 0.000 3.305 382 Y HA -0.302 4.248 4.550 -0.000 0.000 0.212 382 Y C 0.127 176.120 175.900 0.155 0.000 1.248 382 Y CA 0.336 58.535 58.100 0.165 0.000 1.359 382 Y CB -2.245 36.275 38.460 0.099 0.000 1.407 382 Y HN 0.247 nan 8.280 nan 0.000 0.572 383 E N 0.184 120.566 120.200 0.303 0.000 2.351 383 E HA 0.611 4.961 4.350 -0.000 0.000 0.255 383 E C 0.607 177.339 176.600 0.221 0.000 1.188 383 E CA -0.140 56.415 56.400 0.258 0.000 0.940 383 E CB 0.704 30.579 29.700 0.293 0.000 1.094 383 E HN 0.359 nan 8.360 nan 0.000 0.474 384 A N 1.017 123.905 122.820 0.113 0.000 2.477 384 A HA 0.173 4.493 4.320 -0.000 0.000 0.246 384 A C -0.031 177.441 177.584 -0.187 0.000 1.078 384 A CA -0.438 51.601 52.037 0.002 0.000 0.770 384 A CB 0.180 19.175 19.000 -0.009 0.000 1.011 384 A HN 0.313 nan 8.150 nan 0.000 0.494 385 V N 5.619 125.364 119.914 -0.283 0.000 2.470 385 V HA 0.144 4.264 4.120 -0.000 0.000 0.276 385 V C -1.823 173.962 176.094 -0.515 0.000 1.040 385 V CA -0.908 60.987 62.300 -0.675 0.000 1.008 385 V CB 0.389 31.954 31.823 -0.429 0.000 0.990 385 V HN 0.814 nan 8.190 nan 0.000 0.477 386 P HA 0.048 nan 4.420 nan 0.000 0.264 386 P C 0.031 177.213 177.300 -0.196 0.000 1.183 386 P CA 0.326 63.254 63.100 -0.287 0.000 0.763 386 P CB 0.293 31.866 31.700 -0.211 0.000 0.807 387 S N 1.682 117.319 115.700 -0.105 0.000 2.568 387 S HA 0.351 4.821 4.470 -0.000 0.000 0.282 387 S C 1.584 176.160 174.600 -0.040 0.000 1.338 387 S CA 0.887 59.048 58.200 -0.064 0.000 1.045 387 S CB 0.127 63.305 63.200 -0.037 0.000 0.873 387 S HN 0.912 nan 8.310 nan 0.000 0.516 388 G N 1.991 110.779 108.800 -0.020 0.000 2.241 388 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.244 388 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.244 388 G C 0.216 175.130 174.900 0.024 0.000 0.998 388 G CA 0.151 45.254 45.100 0.005 0.000 0.621 388 G HN 0.745 nan 8.290 nan 0.000 0.519 389 T N 2.665 117.220 114.554 0.000 0.000 2.814 389 T HA 0.525 4.874 4.350 -0.000 0.000 0.297 389 T C 0.732 175.500 174.700 0.113 0.000 0.956 389 T CA 0.538 62.666 62.100 0.047 0.000 1.123 389 T CB 1.338 70.154 68.868 -0.085 0.000 0.902 389 T HN 0.343 nan 8.240 nan 0.000 0.528 390 S N 2.816 118.638 115.700 0.202 0.000 2.579 390 S HA 0.423 4.893 4.470 -0.000 0.000 0.275 390 S C 0.858 175.722 174.600 0.440 0.000 1.345 390 S CA -0.691 57.688 58.200 0.298 0.000 1.031 390 S CB 0.470 63.858 63.200 0.314 0.000 0.892 390 S HN 0.899 nan 8.310 nan 0.000 0.529 391 T N -0.431 114.349 114.554 0.377 0.000 2.901 391 T HA 0.712 5.061 4.350 -0.000 0.000 0.293 391 T C -1.180 173.506 174.700 -0.022 0.000 1.084 391 T CA -0.727 61.525 62.100 0.255 0.000 1.008 391 T CB 1.201 70.140 68.868 0.118 0.000 1.170 391 T HN 0.377 nan 8.240 nan 0.000 0.509 392 F N 2.386 122.091 119.950 -0.407 0.000 2.577 392 F HA 0.475 5.002 4.527 -0.000 0.000 0.344 392 F C -0.769 174.988 175.800 -0.072 0.000 1.145 392 F CA -1.272 56.340 58.000 -0.646 0.000 0.996 392 F CB 0.480 38.743 39.000 -1.229 0.000 1.248 392 F HN 0.808 nan 8.300 nan 0.000 0.447 393 Y N 4.072 124.074 120.300 -0.496 0.000 3.491 393 Y HA -0.182 4.368 4.550 -0.000 0.000 0.215 393 Y C 1.449 177.271 175.900 -0.131 0.000 1.219 393 Y CA 1.263 59.162 58.100 -0.335 0.000 1.485 393 Y CB -1.220 36.968 38.460 -0.453 0.000 1.450 393 Y HN 1.117 nan 8.280 nan 0.000 0.603 394 G N -1.516 107.285 108.800 0.001 0.000 2.199 394 G HA2 -0.337 3.622 3.960 -0.000 0.000 0.254 394 G HA3 -0.337 3.622 3.960 -0.000 0.000 0.254 394 G C 0.270 175.237 174.900 0.111 0.000 0.982 394 G CA 0.146 45.277 45.100 0.051 0.000 0.632 394 G HN 0.384 nan 8.290 nan 0.000 0.529 395 M N 1.532 121.224 119.600 0.154 0.000 2.188 395 M HA 0.504 4.984 4.480 -0.000 0.000 0.357 395 M C 1.044 177.523 176.300 0.297 0.000 1.204 395 M CA 0.130 55.566 55.300 0.227 0.000 1.095 395 M CB 1.412 34.155 32.600 0.238 0.000 1.604 395 M HN 0.220 nan 8.290 nan 0.000 0.464 396 G N 2.103 111.116 108.800 0.355 0.000 2.403 396 G HA2 0.159 4.119 3.960 -0.000 0.000 0.259 396 G HA3 0.159 4.119 3.960 -0.000 0.000 0.259 396 G C -1.010 174.255 174.900 0.608 0.000 1.244 396 G CA -0.287 45.077 45.100 0.440 0.000 0.849 396 G HN 0.700 nan 8.290 nan 0.000 0.532 397 Y N 2.568 123.187 120.300 0.531 0.000 2.610 397 Y HA 0.339 4.889 4.550 -0.000 0.000 0.332 397 Y C -0.048 176.030 175.900 0.298 0.000 1.201 397 Y CA -0.030 58.336 58.100 0.443 0.000 1.465 397 Y CB 1.087 39.705 38.460 0.264 0.000 1.283 397 Y HN 0.411 nan 8.280 nan 0.000 0.563 398 V N 7.589 127.067 119.914 -0.726 0.000 2.569 398 V HA 0.220 4.340 4.120 -0.000 0.000 0.301 398 V C 0.571 176.030 176.094 -1.057 0.000 1.044 398 V CA -0.383 61.498 62.300 -0.697 0.000 0.874 398 V CB 1.490 33.064 31.823 -0.416 0.000 1.002 398 V HN 1.044 nan 8.190 nan 0.000 0.424 399 E N 4.691 124.383 120.200 -0.848 0.000 2.085 399 E HA -0.102 4.248 4.350 -0.000 0.000 0.194 399 E C 0.259 176.594 176.600 -0.442 0.000 0.994 399 E CA 1.216 57.262 56.400 -0.591 0.000 0.801 399 E CB 0.234 29.811 29.700 -0.205 0.000 0.743 399 E HN 0.749 nan 8.360 nan 0.000 0.453 400 N N 1.260 119.760 118.700 -0.333 0.000 2.762 400 N HA 0.251 4.990 4.740 -0.000 0.000 0.252 400 N C -2.761 172.563 175.510 -0.309 0.000 1.269 400 N CA -1.277 51.637 53.050 -0.227 0.000 0.799 400 N CB 1.775 40.204 38.487 -0.096 0.000 1.173 400 N HN 0.013 nan 8.380 nan 0.000 0.516 401 P HA -0.006 nan 4.420 nan 0.000 0.266 401 P C 1.050 177.955 177.300 -0.659 0.000 1.195 401 P CA 0.090 62.925 63.100 -0.441 0.000 0.768 401 P CB 1.003 32.529 31.700 -0.290 0.000 0.838 402 V N 0.730 120.107 119.914 -0.895 0.000 0.489 402 V HA -0.323 3.796 4.120 -0.000 0.000 0.092 402 V C 0.286 175.709 176.094 -1.118 0.000 2.367 402 V CA 1.809 63.373 62.300 -1.226 0.000 3.630 402 V CB -2.215 28.439 31.823 -1.949 0.000 0.914 402 V HN 0.478 nan 8.190 nan 0.000 0.957 403 Y N -1.369 118.586 120.300 -0.575 0.000 2.446 403 Y HA 0.809 5.359 4.550 -0.000 0.000 0.345 403 Y C 0.389 176.153 175.900 -0.225 0.000 0.984 403 Y CA -0.476 57.402 58.100 -0.371 0.000 1.058 403 Y CB 1.935 40.173 38.460 -0.369 0.000 1.220 403 Y HN 0.136 nan 8.280 nan 0.000 0.455 404 A N 0.644 123.488 122.820 0.041 0.000 2.551 404 A HA 0.220 4.540 4.320 -0.000 0.000 0.252 404 A C -0.284 177.334 177.584 0.057 0.000 1.199 404 A CA 0.121 52.169 52.037 0.019 0.000 0.972 404 A CB 0.217 19.204 19.000 -0.021 0.000 1.153 404 A HN 0.550 nan 8.150 nan 0.000 0.559 405 D N 1.321 121.765 120.400 0.073 0.000 2.443 405 D HA 0.330 4.970 4.640 -0.000 0.000 0.281 405 D C -2.700 173.646 176.300 0.077 0.000 1.210 405 D CA -1.504 52.545 54.000 0.082 0.000 0.875 405 D CB 1.561 42.420 40.800 0.098 0.000 1.125 405 D HN 0.199 nan 8.370 nan 0.000 0.503 406 P HA 0.365 nan 4.420 nan 0.000 0.281 406 P C 0.470 177.828 177.300 0.097 0.000 1.281 406 P CA -0.498 62.658 63.100 0.094 0.000 0.811 406 P CB 0.760 32.525 31.700 0.109 0.000 1.154 407 G N 0.220 109.088 108.800 0.113 0.000 2.272 407 G HA2 0.099 4.059 3.960 -0.000 0.000 0.247 407 G HA3 0.099 4.059 3.960 -0.000 0.000 0.247 407 G C 1.283 176.285 174.900 0.170 0.000 1.272 407 G CA 0.199 45.370 45.100 0.118 0.000 0.921 407 G HN 0.530 nan 8.290 nan 0.000 0.495 408 S N 1.532 117.319 115.700 0.145 0.000 2.465 408 S HA -0.155 4.315 4.470 -0.000 0.000 0.241 408 S C 1.460 176.318 174.600 0.431 0.000 1.000 408 S CA 1.242 59.586 58.200 0.239 0.000 0.964 408 S CB -0.005 63.277 63.200 0.138 0.000 0.763 408 S HN 0.531 nan 8.310 nan 0.000 0.512 409 N N 1.040 119.967 118.700 0.378 0.000 2.401 409 N HA 0.176 4.916 4.740 -0.000 0.000 0.264 409 N C 0.676 176.520 175.510 0.558 0.000 1.238 409 N CA 0.513 53.855 53.050 0.488 0.000 0.889 409 N CB 0.523 39.157 38.487 0.244 0.000 1.196 409 N HN 0.558 nan 8.380 nan 0.000 0.511 410 T N -4.006 110.823 114.554 0.459 0.000 3.069 410 T HA 0.133 4.483 4.350 -0.000 0.000 0.252 410 T C 0.107 175.068 174.700 0.436 0.000 1.053 410 T CA -0.423 61.923 62.100 0.410 0.000 0.964 410 T CB -0.158 68.885 68.868 0.292 0.000 1.005 410 T HN 0.204 nan 8.240 nan 0.000 0.532 411 W N 1.591 123.048 121.300 0.261 0.000 2.391 411 W HA 0.569 5.229 4.660 -0.000 0.000 0.311 411 W C 0.445 177.132 176.519 0.281 0.000 1.087 411 W CA -3.155 54.323 57.345 0.221 0.000 1.209 411 W CB 0.836 30.380 29.460 0.140 0.000 1.273 411 W HN 0.044 nan 8.180 nan 0.000 0.482 412 F N 4.765 124.594 119.950 -0.202 0.000 2.250 412 F HA -0.019 4.508 4.527 -0.000 0.000 0.301 412 F C 1.941 177.409 175.800 -0.554 0.000 1.077 412 F CA 2.403 60.271 58.000 -0.221 0.000 1.348 412 F CB -0.616 38.294 39.000 -0.150 0.000 1.040 412 F HN 0.515 nan 8.300 nan 0.000 0.509 413 G N 0.719 108.439 108.800 -1.800 0.000 2.503 413 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.221 413 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.221 413 G C 1.594 175.715 174.900 -1.298 0.000 1.131 413 G CA 1.183 44.929 45.100 -2.257 0.000 0.756 413 G HN 0.303 nan 8.290 nan 0.000 0.572 414 M N 0.252 119.440 119.600 -0.687 0.000 2.213 414 M HA -0.061 4.419 4.480 -0.000 0.000 0.263 414 M C 2.665 178.977 176.300 0.020 0.000 1.062 414 M CA 0.958 56.155 55.300 -0.171 0.000 1.105 414 M CB -0.961 31.685 32.600 0.076 0.000 1.385 414 M HN 0.253 nan 8.290 nan 0.000 0.417 415 Q N 0.080 119.929 119.800 0.082 0.000 2.020 415 Q HA -0.115 4.224 4.340 -0.000 0.000 0.202 415 Q C 2.303 178.380 176.000 0.129 0.000 0.982 415 Q CA 2.067 58.062 55.803 0.320 0.000 0.838 415 Q CB -1.052 27.843 28.738 0.262 0.000 0.899 415 Q HN 0.617 nan 8.270 nan 0.000 0.423 416 V N -3.035 116.823 119.914 -0.093 0.000 2.407 416 V HA -0.100 4.020 4.120 -0.000 0.000 0.245 416 V C 2.007 178.248 176.094 0.245 0.000 1.041 416 V CA 1.092 63.449 62.300 0.095 0.000 1.040 416 V CB -1.101 30.804 31.823 0.136 0.000 0.671 416 V HN 0.164 nan 8.190 nan 0.000 0.455 417 W N 1.135 122.437 121.300 0.003 0.000 2.338 417 W HA -0.102 4.558 4.660 -0.000 0.000 0.304 417 W C 3.198 179.744 176.519 0.045 0.000 1.212 417 W CA 1.829 59.211 57.345 0.062 0.000 1.264 417 W CB -1.232 28.238 29.460 0.018 0.000 1.142 417 W HN 0.380 nan 8.180 nan 0.000 0.512 418 S N -1.038 114.821 115.700 0.265 0.000 2.362 418 S HA -0.089 4.381 4.470 -0.000 0.000 0.221 418 S C 1.894 176.596 174.600 0.170 0.000 1.032 418 S CA 1.071 59.414 58.200 0.238 0.000 0.973 418 S CB -0.284 63.061 63.200 0.242 0.000 0.849 418 S HN -0.106 nan 8.310 nan 0.000 0.465 419 M N 1.645 121.241 119.600 -0.007 0.000 2.374 419 M HA 0.017 4.497 4.480 -0.000 0.000 0.264 419 M C 2.121 178.307 176.300 -0.189 0.000 1.067 419 M CA 0.945 56.051 55.300 -0.324 0.000 1.103 419 M CB -1.313 30.664 32.600 -1.038 0.000 1.402 419 M HN 0.431 nan 8.290 nan 0.000 0.444 420 Q N 1.150 120.940 119.800 -0.016 0.000 2.124 420 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 420 Q C 1.887 177.888 176.000 0.002 0.000 0.977 420 Q CA 1.587 57.440 55.803 0.084 0.000 0.850 420 Q CB -0.078 28.801 28.738 0.235 0.000 0.901 420 Q HN 0.479 nan 8.270 nan 0.000 0.429 421 R N -0.747 119.753 120.500 -0.001 0.000 2.090 421 R HA -0.034 4.306 4.340 -0.000 0.000 0.228 421 R C 2.433 178.718 176.300 -0.025 0.000 1.110 421 R CA 1.176 57.262 56.100 -0.023 0.000 0.973 421 R CB -0.144 30.195 30.300 0.065 0.000 0.869 421 R HN 0.066 nan 8.270 nan 0.000 0.440 422 V N 0.994 120.858 119.914 -0.083 0.000 2.427 422 V HA -0.194 3.926 4.120 -0.000 0.000 0.248 422 V C 2.385 178.469 176.094 -0.016 0.000 1.051 422 V CA 1.894 64.114 62.300 -0.134 0.000 1.048 422 V CB -0.668 30.941 31.823 -0.356 0.000 0.666 422 V HN 0.390 nan 8.190 nan 0.000 0.456 423 A N -0.404 122.418 122.820 0.003 0.000 1.933 423 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 423 A C 2.211 179.841 177.584 0.076 0.000 1.175 423 A CA 1.790 53.926 52.037 0.165 0.000 0.628 423 A CB -0.425 18.709 19.000 0.222 0.000 0.814 423 A HN 0.600 nan 8.150 nan 0.000 0.444 424 E N -0.854 119.208 120.200 -0.232 0.000 2.106 424 E HA -0.174 4.176 4.350 -0.000 0.000 0.192 424 E C 1.956 178.549 176.600 -0.010 0.000 0.984 424 E CA 1.160 57.274 56.400 -0.476 0.000 0.806 424 E CB -0.225 28.931 29.700 -0.908 0.000 0.750 424 E HN 0.522 nan 8.360 nan 0.000 0.458 425 L N 0.499 121.790 121.223 0.115 0.000 2.017 425 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 425 L C 2.320 179.199 176.870 0.016 0.000 1.073 425 L CA 1.718 56.609 54.840 0.085 0.000 0.745 425 L CB -0.722 41.365 42.059 0.047 0.000 0.894 425 L HN 0.131 nan 8.230 nan 0.000 0.432 426 Y N -0.942 119.356 120.300 -0.003 0.000 2.165 426 Y HA -0.333 4.217 4.550 -0.000 0.000 0.286 426 Y C 2.510 178.455 175.900 0.075 0.000 1.155 426 Y CA 2.012 60.133 58.100 0.035 0.000 1.164 426 Y CB -0.969 37.560 38.460 0.115 0.000 0.978 426 Y HN 0.437 nan 8.280 nan 0.000 0.513 427 Y N 0.994 121.240 120.300 -0.090 0.000 2.181 427 Y HA -0.151 4.399 4.550 -0.000 0.000 0.288 427 Y C 2.105 177.947 175.900 -0.097 0.000 1.146 427 Y CA 2.087 60.115 58.100 -0.120 0.000 1.164 427 Y CB -0.227 38.335 38.460 0.169 0.000 0.982 427 Y HN -0.071 nan 8.280 nan 0.000 0.515 428 K N -0.677 119.668 120.400 -0.092 0.000 2.116 428 K HA -0.019 4.301 4.320 -0.000 0.000 0.203 428 K C 1.925 178.309 176.600 -0.360 0.000 1.052 428 K CA 1.718 57.864 56.287 -0.236 0.000 0.952 428 K CB -0.499 31.857 32.500 -0.240 0.000 0.729 428 K HN 0.561 nan 8.250 nan 0.000 0.446 429 T N -4.333 109.994 114.554 -0.378 0.000 2.975 429 T HA 0.210 4.560 4.350 -0.000 0.000 0.257 429 T C 1.264 175.867 174.700 -0.163 0.000 1.003 429 T CA 0.641 62.565 62.100 -0.293 0.000 0.932 429 T CB 0.561 69.193 68.868 -0.393 0.000 1.087 429 T HN 0.232 nan 8.240 nan 0.000 0.512 430 G N 2.233 110.932 108.800 -0.170 0.000 2.179 430 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.257 430 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.257 430 G C -0.194 174.788 174.900 0.136 0.000 1.010 430 G CA 0.287 45.340 45.100 -0.078 0.000 0.736 430 G HN 0.763 nan 8.290 nan 0.000 0.513 431 D N 0.251 120.720 120.400 0.115 0.000 2.520 431 D HA 0.294 4.934 4.640 -0.000 0.000 0.243 431 D C 1.702 178.093 176.300 0.152 0.000 1.160 431 D CA 0.662 54.724 54.000 0.104 0.000 0.877 431 D CB 0.708 41.535 40.800 0.045 0.000 1.150 431 D HN 0.438 nan 8.370 nan 0.000 0.494 432 A N 5.752 128.639 122.820 0.112 0.000 1.940 432 A HA -0.229 4.090 4.320 -0.000 0.000 0.219 432 A C 2.185 179.805 177.584 0.059 0.000 1.176 432 A CA 1.291 53.385 52.037 0.095 0.000 0.631 432 A CB -0.129 18.922 19.000 0.085 0.000 0.814 432 A HN 0.724 nan 8.150 nan 0.000 0.446 433 R N -0.546 119.989 120.500 0.059 0.000 2.081 433 R HA -0.055 4.285 4.340 -0.000 0.000 0.235 433 R C 2.486 178.774 176.300 -0.020 0.000 1.131 433 R CA 1.246 57.371 56.100 0.042 0.000 0.960 433 R CB -0.473 29.869 30.300 0.069 0.000 0.856 433 R HN 0.510 nan 8.270 nan 0.000 0.436 434 A N 1.441 124.247 122.820 -0.024 0.000 1.898 434 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 434 A C 2.064 179.512 177.584 -0.228 0.000 1.181 434 A CA 1.422 53.402 52.037 -0.095 0.000 0.620 434 A CB -0.374 18.632 19.000 0.010 0.000 0.819 434 A HN 0.231 nan 8.150 nan 0.000 0.442 435 K N -0.016 120.218 120.400 -0.276 0.000 2.009 435 K HA -0.223 4.097 4.320 -0.000 0.000 0.210 435 K C 2.197 178.681 176.600 -0.193 0.000 1.049 435 K CA 1.937 57.939 56.287 -0.475 0.000 0.929 435 K CB -0.228 32.145 32.500 -0.211 0.000 0.714 435 K HN 0.429 nan 8.250 nan 0.000 0.440 436 K N 0.687 121.038 120.400 -0.083 0.000 2.063 436 K HA -0.161 4.159 4.320 -0.000 0.000 0.208 436 K C 2.182 178.743 176.600 -0.066 0.000 1.048 436 K CA 1.457 57.726 56.287 -0.030 0.000 0.928 436 K CB -0.104 32.400 32.500 0.006 0.000 0.713 436 K HN 0.159 nan 8.250 nan 0.000 0.442 437 L N 0.699 121.851 121.223 -0.118 0.000 2.017 437 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 437 L C 2.423 179.240 176.870 -0.088 0.000 1.073 437 L CA 1.126 55.883 54.840 -0.138 0.000 0.745 437 L CB -0.356 41.581 42.059 -0.204 0.000 0.894 437 L HN 0.226 nan 8.230 nan 0.000 0.432 438 L N -0.701 120.426 121.223 -0.161 0.000 2.046 438 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 438 L C 2.283 179.020 176.870 -0.222 0.000 1.077 438 L CA 0.993 55.705 54.840 -0.214 0.000 0.747 438 L CB -0.670 41.179 42.059 -0.349 0.000 0.896 438 L HN 0.273 nan 8.230 nan 0.000 0.432 439 D N 0.203 120.552 120.400 -0.086 0.000 2.116 439 D HA -0.239 4.401 4.640 -0.000 0.000 0.193 439 D C 2.123 178.469 176.300 0.077 0.000 0.998 439 D CA 1.429 55.466 54.000 0.061 0.000 0.836 439 D CB -0.032 40.843 40.800 0.125 0.000 0.951 439 D HN 0.243 nan 8.370 nan 0.000 0.449 440 K N -0.807 119.646 120.400 0.089 0.000 2.062 440 K HA -0.126 4.194 4.320 -0.000 0.000 0.205 440 K C 2.170 178.887 176.600 0.196 0.000 1.051 440 K CA 0.622 56.989 56.287 0.132 0.000 0.941 440 K CB -0.153 32.419 32.500 0.119 0.000 0.719 440 K HN 0.129 nan 8.250 nan 0.000 0.440 441 W N 1.216 122.529 121.300 0.023 0.000 2.355 441 W HA -0.157 4.502 4.660 -0.000 0.000 0.309 441 W C 1.948 178.575 176.519 0.179 0.000 1.206 441 W CA 2.333 59.757 57.345 0.132 0.000 1.284 441 W CB -0.374 29.121 29.460 0.058 0.000 1.145 441 W HN 0.169 nan 8.180 nan 0.000 0.502 442 A N 0.330 123.275 122.820 0.209 0.000 1.908 442 A HA -0.255 4.064 4.320 -0.000 0.000 0.218 442 A C 2.002 179.566 177.584 -0.034 0.000 1.181 442 A CA 2.099 54.137 52.037 0.003 0.000 0.627 442 A CB -0.977 17.907 19.000 -0.193 0.000 0.818 442 A HN 0.395 nan 8.150 nan 0.000 0.445 443 K N -1.742 118.687 120.400 0.048 0.000 2.147 443 K HA -0.204 4.116 4.320 -0.000 0.000 0.205 443 K C 1.779 178.400 176.600 0.035 0.000 1.049 443 K CA 1.563 57.888 56.287 0.062 0.000 0.936 443 K CB -0.302 32.262 32.500 0.106 0.000 0.722 443 K HN 0.680 nan 8.250 nan 0.000 0.446 444 W N 1.143 122.355 121.300 -0.147 0.000 2.380 444 W HA -0.183 4.477 4.660 -0.000 0.000 0.317 444 W C 1.644 178.013 176.519 -0.250 0.000 1.196 444 W CA 1.056 58.290 57.345 -0.184 0.000 1.307 444 W CB -0.639 28.689 29.460 -0.219 0.000 1.157 444 W HN 0.091 nan 8.180 nan 0.000 0.483 445 I N 2.062 122.155 120.570 -0.795 0.000 2.286 445 I HA -0.293 3.876 4.170 -0.000 0.000 0.248 445 I C 1.930 177.699 176.117 -0.581 0.000 1.115 445 I CA 1.796 62.461 61.300 -1.058 0.000 1.392 445 I CB -0.935 36.447 38.000 -1.030 0.000 1.065 445 I HN 0.040 nan 8.210 nan 0.000 0.418 446 N N 0.727 119.230 118.700 -0.329 0.000 2.364 446 N HA -0.076 4.663 4.740 -0.000 0.000 0.183 446 N C 1.703 177.111 175.510 -0.170 0.000 1.022 446 N CA 1.297 54.247 53.050 -0.167 0.000 0.883 446 N CB -0.424 38.037 38.487 -0.044 0.000 0.965 446 N HN 0.552 nan 8.380 nan 0.000 0.438 447 G N -0.321 108.340 108.800 -0.231 0.000 3.042 447 G HA2 -0.033 3.926 3.960 -0.000 0.000 0.212 447 G HA3 -0.033 3.926 3.960 -0.000 0.000 0.212 447 G C 1.059 175.818 174.900 -0.234 0.000 1.166 447 G CA 0.022 45.016 45.100 -0.177 0.000 0.767 447 G HN 0.130 nan 8.290 nan 0.000 0.546 448 E N 0.008 119.989 120.200 -0.366 0.000 2.526 448 E HA 0.219 4.568 4.350 -0.000 0.000 0.208 448 E C 0.315 176.758 176.600 -0.263 0.000 0.997 448 E CA -0.255 55.951 56.400 -0.324 0.000 0.961 448 E CB 0.898 30.256 29.700 -0.571 0.000 1.030 448 E HN 0.395 nan 8.360 nan 0.000 0.483 449 I N 1.977 122.378 120.570 -0.282 0.000 2.342 449 I HA 0.140 4.309 4.170 -0.000 0.000 0.291 449 I C 0.240 176.147 176.117 -0.349 0.000 1.010 449 I CA -0.098 61.007 61.300 -0.326 0.000 1.308 449 I CB 0.690 38.492 38.000 -0.329 0.000 1.400 449 I HN -0.417 nan 8.210 nan 0.000 0.488 450 K N 6.798 126.963 120.400 -0.391 0.000 2.358 450 K HA 0.503 4.823 4.320 -0.000 0.000 0.260 450 K C -1.313 175.086 176.600 -0.335 0.000 0.956 450 K CA -0.539 55.564 56.287 -0.306 0.000 0.834 450 K CB 1.733 34.063 32.500 -0.283 0.000 1.102 450 K HN 0.256 nan 8.250 nan 0.000 0.431 451 F N 1.986 121.948 119.950 0.019 0.000 2.415 451 F HA 0.299 4.826 4.527 -0.000 0.000 0.348 451 F C 0.708 176.529 175.800 0.035 0.000 1.119 451 F CA -0.791 57.247 58.000 0.064 0.000 1.069 451 F CB 1.023 40.043 39.000 0.033 0.000 1.124 451 F HN 0.381 nan 8.300 nan 0.000 0.472 452 N N 1.396 120.232 118.700 0.227 0.000 2.476 452 N HA 0.350 5.090 4.740 -0.000 0.000 0.275 452 N C 0.816 176.394 175.510 0.113 0.000 1.190 452 N CA -0.097 53.024 53.050 0.119 0.000 0.977 452 N CB 1.488 40.017 38.487 0.070 0.000 1.200 452 N HN 0.675 nan 8.380 nan 0.000 0.515 453 A N 0.493 123.349 122.820 0.060 0.000 1.972 453 A HA -0.187 4.132 4.320 -0.000 0.000 0.219 453 A C 1.110 178.716 177.584 0.036 0.000 1.169 453 A CA 1.696 53.757 52.037 0.040 0.000 0.635 453 A CB -0.439 18.573 19.000 0.018 0.000 0.810 453 A HN 0.766 nan 8.150 nan 0.000 0.446 454 D N -2.365 118.055 120.400 0.034 0.000 2.349 454 D HA 0.289 4.929 4.640 -0.000 0.000 0.224 454 D C 1.163 177.484 176.300 0.034 0.000 1.029 454 D CA 0.947 54.957 54.000 0.017 0.000 0.879 454 D CB -0.462 40.335 40.800 -0.005 0.000 0.906 454 D HN 0.727 nan 8.370 nan 0.000 0.528 455 G N -0.227 108.625 108.800 0.087 0.000 2.194 455 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.236 455 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.236 455 G C 0.582 175.633 174.900 0.252 0.000 0.987 455 G CA 0.400 45.583 45.100 0.138 0.000 0.635 455 G HN 0.779 nan 8.290 nan 0.000 0.520 456 T N -0.639 114.039 114.554 0.206 0.000 2.788 456 T HA 0.773 5.122 4.350 -0.000 0.000 0.280 456 T C 0.048 174.966 174.700 0.364 0.000 0.984 456 T CA 0.238 62.503 62.100 0.275 0.000 0.972 456 T CB 1.778 70.704 68.868 0.098 0.000 1.039 456 T HN 1.589 nan 8.240 nan 0.000 0.530 457 F N -2.098 117.934 119.950 0.137 0.000 2.711 457 F HA 0.760 5.286 4.527 -0.000 0.000 0.313 457 F C -1.247 174.487 175.800 -0.111 0.000 1.141 457 F CA -1.319 56.650 58.000 -0.053 0.000 0.941 457 F CB 1.544 40.443 39.000 -0.168 0.000 1.349 457 F HN 0.635 nan 8.300 nan 0.000 0.464 458 Q N 1.797 121.578 119.800 -0.030 0.000 2.379 458 Q HA 0.770 5.109 4.340 -0.000 0.000 0.278 458 Q C -1.309 174.696 176.000 0.008 0.000 1.068 458 Q CA -1.001 54.755 55.803 -0.078 0.000 0.816 458 Q CB 3.602 32.278 28.738 -0.104 0.000 1.387 458 Q HN 0.824 nan 8.270 nan 0.000 0.413 459 I N -2.843 117.741 120.570 0.023 0.000 3.191 459 I HA 0.681 4.851 4.170 -0.000 0.000 0.313 459 I C -2.805 173.169 176.117 -0.240 0.000 1.193 459 I CA -3.135 58.096 61.300 -0.116 0.000 0.968 459 I CB 2.145 40.037 38.000 -0.179 0.000 1.262 459 I HN 0.276 nan 8.210 nan 0.000 0.456 460 P HA 0.066 nan 4.420 nan 0.000 0.266 460 P C -0.247 176.748 177.300 -0.509 0.000 1.195 460 P CA 0.292 62.908 63.100 -0.807 0.000 0.768 460 P CB 1.016 32.154 31.700 -0.937 0.000 0.838 461 S N 0.969 116.512 115.700 -0.261 0.000 3.249 461 S HA 0.147 4.617 4.470 -0.000 0.000 0.237 461 S C 0.241 174.923 174.600 0.136 0.000 1.007 461 S CA 0.456 58.665 58.200 0.015 0.000 0.811 461 S CB -0.001 63.221 63.200 0.036 0.000 0.832 461 S HN 0.425 nan 8.310 nan 0.000 0.573 462 T N 3.489 118.075 114.554 0.054 0.000 2.794 462 T HA 0.687 5.037 4.350 -0.000 0.000 0.280 462 T C -0.298 174.417 174.700 0.026 0.000 0.987 462 T CA -0.447 61.720 62.100 0.111 0.000 0.993 462 T CB 1.146 70.070 68.868 0.093 0.000 0.939 462 T HN 0.520 nan 8.240 nan 0.000 0.449 463 I N -0.292 120.324 120.570 0.077 0.000 3.002 463 I HA 0.920 5.090 4.170 -0.000 0.000 0.310 463 I C -1.170 174.898 176.117 -0.082 0.000 1.087 463 I CA -1.057 60.211 61.300 -0.054 0.000 1.017 463 I CB 2.581 40.539 38.000 -0.070 0.000 1.226 463 I HN 0.372 nan 8.210 nan 0.000 0.443 464 D N 1.354 121.586 120.400 -0.281 0.000 2.559 464 D HA 0.643 5.282 4.640 -0.000 0.000 0.250 464 D C -2.035 173.976 176.300 -0.482 0.000 1.135 464 D CA -0.203 53.690 54.000 -0.177 0.000 0.955 464 D CB 2.078 42.856 40.800 -0.036 0.000 1.442 464 D HN 0.577 nan 8.370 nan 0.000 0.471 465 W N 0.174 121.506 121.300 0.053 0.000 2.962 465 W HA 0.599 5.259 4.660 -0.000 0.000 0.341 465 W C -0.504 176.049 176.519 0.056 0.000 1.155 465 W CA -0.640 56.732 57.345 0.046 0.000 1.165 465 W CB 1.623 31.108 29.460 0.043 0.000 1.435 465 W HN 0.104 nan 8.180 nan 0.000 0.546 466 E N 0.768 121.155 120.200 0.311 0.000 2.308 466 E HA 0.535 4.885 4.350 -0.000 0.000 0.275 466 E C 0.162 176.864 176.600 0.170 0.000 0.890 466 E CA -0.237 56.289 56.400 0.209 0.000 0.754 466 E CB 2.278 32.078 29.700 0.167 0.000 1.207 466 E HN 0.703 nan 8.360 nan 0.000 0.426 467 G N 2.293 111.165 108.800 0.120 0.000 2.632 467 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.224 467 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.224 467 G C -0.835 174.041 174.900 -0.041 0.000 1.341 467 G CA 0.032 45.155 45.100 0.038 0.000 0.880 467 G HN 0.627 nan 8.290 nan 0.000 0.566 468 Q N -1.277 118.406 119.800 -0.194 0.000 2.534 468 Q HA 0.739 5.079 4.340 -0.000 0.000 0.290 468 Q C -3.068 172.617 176.000 -0.526 0.000 0.991 468 Q CA -1.840 53.650 55.803 -0.521 0.000 0.783 468 Q CB 2.834 31.353 28.738 -0.365 0.000 1.470 468 Q HN 0.642 nan 8.270 nan 0.000 0.406 469 P HA 0.104 nan 4.420 nan 0.000 0.274 469 P C -0.880 176.305 177.300 -0.192 0.000 1.246 469 P CA -0.126 62.640 63.100 -0.556 0.000 0.795 469 P CB 0.602 31.671 31.700 -1.053 0.000 1.006 470 D N 0.208 120.605 120.400 -0.005 0.000 2.341 470 D HA 0.100 4.740 4.640 -0.000 0.000 0.245 470 D C 0.272 176.816 176.300 0.408 0.000 1.106 470 D CA 0.321 54.401 54.000 0.134 0.000 0.905 470 D CB 0.147 40.997 40.800 0.084 0.000 1.202 470 D HN 0.215 nan 8.370 nan 0.000 0.426 471 T N 1.839 116.588 114.554 0.325 0.000 2.905 471 T HA -0.118 4.231 4.350 -0.000 0.000 0.299 471 T C 0.261 175.177 174.700 0.360 0.000 1.024 471 T CA 0.003 62.322 62.100 0.365 0.000 1.151 471 T CB 0.298 69.261 68.868 0.159 0.000 0.987 471 T HN 0.249 nan 8.240 nan 0.000 0.535 472 W N 4.782 126.117 121.300 0.058 0.000 2.303 472 W HA 0.163 4.823 4.660 -0.000 0.000 0.318 472 W C -0.003 176.429 176.519 -0.144 0.000 1.362 472 W CA -0.503 56.818 57.345 -0.039 0.000 1.234 472 W CB 0.306 29.592 29.460 -0.291 0.000 1.248 472 W HN 0.470 nan 8.180 nan 0.000 0.546 473 N N 7.737 125.978 118.700 -0.765 0.000 2.569 473 N HA 0.227 4.967 4.740 -0.000 0.000 0.254 473 N C -1.960 172.951 175.510 -0.999 0.000 1.004 473 N CA -2.021 50.623 53.050 -0.677 0.000 0.904 473 N CB 1.721 39.976 38.487 -0.387 0.000 1.165 473 N HN 0.082 nan 8.380 nan 0.000 0.513 474 P HA -0.147 nan 4.420 nan 0.000 0.218 474 P C 1.117 178.244 177.300 -0.288 0.000 1.150 474 P CA 1.419 64.252 63.100 -0.445 0.000 0.841 474 P CB 0.416 32.037 31.700 -0.132 0.000 0.784 475 T N -2.325 112.063 114.554 -0.278 0.000 3.035 475 T HA -0.062 4.288 4.350 -0.000 0.000 0.259 475 T C 1.813 176.405 174.700 -0.180 0.000 1.078 475 T CA 0.707 62.705 62.100 -0.169 0.000 1.132 475 T CB -0.338 68.453 68.868 -0.129 0.000 0.900 475 T HN 0.097 nan 8.240 nan 0.000 0.480 476 Q N -0.221 119.417 119.800 -0.271 0.000 2.089 476 Q HA 0.292 4.632 4.340 -0.000 0.000 0.195 476 Q C 1.260 177.131 176.000 -0.214 0.000 0.963 476 Q CA 1.087 56.759 55.803 -0.218 0.000 0.834 476 Q CB -0.161 28.439 28.738 -0.229 0.000 0.906 476 Q HN 0.613 nan 8.270 nan 0.000 0.452 477 G N -0.064 108.479 108.800 -0.428 0.000 2.615 477 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.218 477 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.218 477 G C -0.971 173.918 174.900 -0.018 0.000 1.339 477 G CA -0.144 44.793 45.100 -0.271 0.000 0.884 477 G HN 0.394 nan 8.290 nan 0.000 0.559 478 Y N 1.848 122.263 120.300 0.192 0.000 2.632 478 Y HA 0.365 4.914 4.550 -0.000 0.000 0.329 478 Y C 2.173 178.148 175.900 0.125 0.000 1.174 478 Y CA 1.234 59.498 58.100 0.273 0.000 1.469 478 Y CB 0.876 39.486 38.460 0.251 0.000 1.242 478 Y HN 0.993 nan 8.280 nan 0.000 0.540 479 T N 0.794 115.229 114.554 -0.197 0.000 3.044 479 T HA 0.292 4.642 4.350 -0.000 0.000 0.250 479 T C 1.399 175.795 174.700 -0.507 0.000 1.081 479 T CA 0.514 62.458 62.100 -0.259 0.000 1.040 479 T CB -0.141 68.652 68.868 -0.125 0.000 0.962 479 T HN 1.203 nan 8.240 nan 0.000 0.506 480 G N 1.868 109.952 108.800 -1.194 0.000 2.213 480 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.226 480 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.226 480 G C 0.206 174.792 174.900 -0.522 0.000 0.992 480 G CA -0.160 44.336 45.100 -1.007 0.000 0.632 480 G HN 0.573 nan 8.290 nan 0.000 0.511 481 N N -0.608 117.862 118.700 -0.383 0.000 2.669 481 N HA -0.209 4.531 4.740 -0.000 0.000 0.266 481 N C 1.426 176.801 175.510 -0.225 0.000 1.024 481 N CA 1.545 54.463 53.050 -0.219 0.000 0.766 481 N CB -1.252 37.140 38.487 -0.159 0.000 0.898 481 N HN 1.552 nan 8.380 nan 0.000 0.548 482 A N 0.305 123.016 122.820 -0.183 0.000 2.125 482 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 482 A C 1.706 179.166 177.584 -0.207 0.000 1.156 482 A CA 1.098 53.050 52.037 -0.141 0.000 0.671 482 A CB 0.050 19.012 19.000 -0.063 0.000 0.794 482 A HN 0.484 nan 8.150 nan 0.000 0.459 483 N N -0.909 117.659 118.700 -0.220 0.000 2.230 483 N HA 0.146 4.886 4.740 -0.000 0.000 0.202 483 N C -0.568 174.754 175.510 -0.314 0.000 1.119 483 N CA 0.040 52.973 53.050 -0.196 0.000 0.851 483 N CB 0.594 39.029 38.487 -0.087 0.000 0.990 483 N HN 0.396 nan 8.380 nan 0.000 0.497 484 L N 1.938 122.875 121.223 -0.477 0.000 2.298 484 L HA 0.343 4.683 4.340 -0.000 0.000 0.284 484 L C -1.022 175.569 176.870 -0.464 0.000 1.013 484 L CA -0.459 54.167 54.840 -0.356 0.000 0.824 484 L CB 0.562 42.439 42.059 -0.303 0.000 1.221 484 L HN 0.048 nan 8.230 nan 0.000 0.418 485 H N 3.654 122.762 119.070 0.063 0.000 2.637 485 H HA 0.515 5.071 4.556 -0.000 0.000 0.363 485 H C -0.965 174.338 175.328 -0.042 0.000 1.131 485 H CA -0.625 55.427 56.048 0.008 0.000 1.183 485 H CB 2.545 32.295 29.762 -0.020 0.000 1.637 485 H HN 0.448 nan 8.280 nan 0.000 0.531 486 V N 2.513 122.332 119.914 -0.159 0.000 2.612 486 V HA 0.418 4.538 4.120 -0.000 0.000 0.301 486 V C -0.772 175.099 176.094 -0.371 0.000 1.046 486 V CA -0.460 61.427 62.300 -0.688 0.000 0.946 486 V CB 1.406 32.606 31.823 -1.038 0.000 1.003 486 V HN 0.668 nan 8.190 nan 0.000 0.459 487 K N 4.683 124.837 120.400 -0.411 0.000 2.482 487 K HA 0.529 4.849 4.320 -0.000 0.000 0.251 487 K C -1.540 174.946 176.600 -0.191 0.000 0.936 487 K CA -0.727 55.441 56.287 -0.198 0.000 0.791 487 K CB 2.374 34.794 32.500 -0.133 0.000 1.213 487 K HN 0.469 nan 8.250 nan 0.000 0.428 488 V N 3.851 123.692 119.914 -0.122 0.000 2.389 488 V HA 0.002 4.122 4.120 -0.000 0.000 0.264 488 V C 1.335 177.322 176.094 -0.179 0.000 1.049 488 V CA -0.175 62.004 62.300 -0.202 0.000 0.932 488 V CB 0.923 32.546 31.823 -0.333 0.000 1.011 488 V HN 0.665 nan 8.190 nan 0.000 0.475 489 V N 4.507 124.330 119.914 -0.151 0.000 2.323 489 V HA -0.022 4.097 4.120 -0.000 0.000 0.244 489 V C 0.752 176.800 176.094 -0.077 0.000 1.041 489 V CA 1.767 64.020 62.300 -0.078 0.000 1.025 489 V CB -0.590 31.213 31.823 -0.033 0.000 0.656 489 V HN 1.128 nan 8.190 nan 0.000 0.451 490 N N -2.460 116.146 118.700 -0.157 0.000 2.823 490 N HA 0.398 5.138 4.740 -0.000 0.000 0.251 490 N C -1.508 173.840 175.510 -0.270 0.000 1.392 490 N CA -0.840 52.153 53.050 -0.095 0.000 0.864 490 N CB 0.978 39.468 38.487 0.005 0.000 1.481 490 N HN 0.021 nan 8.380 nan 0.000 0.508 491 Y N -1.056 119.204 120.300 -0.067 0.000 2.534 491 Y HA 0.906 5.456 4.550 -0.000 0.000 0.329 491 Y C 1.072 176.922 175.900 -0.083 0.000 1.154 491 Y CA -0.204 57.834 58.100 -0.103 0.000 1.192 491 Y CB 2.049 40.429 38.460 -0.132 0.000 1.275 491 Y HN 0.950 nan 8.280 nan 0.000 0.491 492 G N -0.910 107.918 108.800 0.047 0.000 2.682 492 G HA2 0.479 4.438 3.960 -0.000 0.000 0.303 492 G HA3 0.479 4.438 3.960 -0.000 0.000 0.303 492 G C -1.359 173.480 174.900 -0.102 0.000 1.341 492 G CA -0.920 44.170 45.100 -0.016 0.000 0.784 492 G HN 0.361 nan 8.290 nan 0.000 0.497 493 T N 1.228 115.680 114.554 -0.170 0.000 3.532 493 T HA 0.258 4.608 4.350 -0.000 0.000 0.241 493 T C -0.635 173.916 174.700 -0.249 0.000 1.238 493 T CA -0.365 61.510 62.100 -0.374 0.000 1.405 493 T CB 0.233 68.769 68.868 -0.553 0.000 0.971 493 T HN 0.463 nan 8.240 nan 0.000 0.640 494 D N 2.067 122.434 120.400 -0.055 0.000 2.344 494 D HA 0.112 4.752 4.640 -0.000 0.000 0.253 494 D C 1.260 177.581 176.300 0.035 0.000 1.255 494 D CA -0.199 53.825 54.000 0.040 0.000 0.894 494 D CB 0.753 41.682 40.800 0.215 0.000 1.067 494 D HN 0.347 nan 8.370 nan 0.000 0.492 495 L N 3.384 124.556 121.223 -0.084 0.000 2.191 495 L HA -0.056 4.283 4.340 -0.000 0.000 0.212 495 L C 2.463 179.329 176.870 -0.006 0.000 1.103 495 L CA 1.080 55.866 54.840 -0.091 0.000 0.769 495 L CB -0.286 41.622 42.059 -0.250 0.000 0.908 495 L HN 0.459 nan 8.230 nan 0.000 0.438 496 G N -0.665 108.100 108.800 -0.059 0.000 2.404 496 G HA2 -0.201 3.758 3.960 -0.000 0.000 0.215 496 G HA3 -0.201 3.758 3.960 -0.000 0.000 0.215 496 G C 1.596 176.734 174.900 0.398 0.000 1.174 496 G CA 0.826 45.879 45.100 -0.077 0.000 0.780 496 G HN 0.383 nan 8.290 nan 0.000 0.537 497 C N 1.024 120.575 119.300 0.420 0.000 2.440 497 C HA 0.213 4.673 4.460 -0.000 0.000 0.278 497 C C 3.525 178.739 174.990 0.373 0.000 1.295 497 C CA 0.713 59.956 59.018 0.375 0.000 1.738 497 C CB -0.895 27.032 27.740 0.312 0.000 1.987 497 C HN 0.554 nan 8.230 nan 0.000 0.492 498 A N 0.425 123.439 122.820 0.323 0.000 1.933 498 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 498 A C 2.269 180.013 177.584 0.266 0.000 1.175 498 A CA 2.236 54.445 52.037 0.287 0.000 0.628 498 A CB -0.690 18.511 19.000 0.335 0.000 0.814 498 A HN 0.548 nan 8.150 nan 0.000 0.444 499 S N -0.570 115.313 115.700 0.304 0.000 2.368 499 S HA -0.127 4.343 4.470 -0.000 0.000 0.224 499 S C 2.320 177.127 174.600 0.344 0.000 1.029 499 S CA 1.402 59.806 58.200 0.339 0.000 0.988 499 S CB -0.328 63.103 63.200 0.385 0.000 0.838 499 S HN 0.690 nan 8.310 nan 0.000 0.462 500 S N 1.176 117.135 115.700 0.432 0.000 2.382 500 S HA -0.059 4.411 4.470 -0.000 0.000 0.228 500 S C 1.850 176.690 174.600 0.400 0.000 1.027 500 S CA 0.890 59.377 58.200 0.479 0.000 0.991 500 S CB -0.398 63.190 63.200 0.647 0.000 0.823 500 S HN 0.351 nan 8.310 nan 0.000 0.469 501 L N 1.937 123.389 121.223 0.381 0.000 2.046 501 L HA 0.156 4.496 4.340 -0.000 0.000 0.208 501 L C 2.495 179.555 176.870 0.316 0.000 1.077 501 L CA 2.123 57.197 54.840 0.390 0.000 0.747 501 L CB -1.342 40.947 42.059 0.383 0.000 0.896 501 L HN 0.307 nan 8.230 nan 0.000 0.432 502 A N -0.237 122.730 122.820 0.245 0.000 1.908 502 A HA -0.278 4.042 4.320 -0.000 0.000 0.218 502 A C 2.269 179.979 177.584 0.210 0.000 1.181 502 A CA 1.870 54.016 52.037 0.182 0.000 0.627 502 A CB -1.044 18.030 19.000 0.125 0.000 0.818 502 A HN 0.657 nan 8.150 nan 0.000 0.445 503 N N -0.169 118.673 118.700 0.236 0.000 2.043 503 N HA -0.151 4.589 4.740 -0.000 0.000 0.193 503 N C 1.733 177.450 175.510 0.346 0.000 1.037 503 N CA 2.358 55.558 53.050 0.250 0.000 0.851 503 N CB -0.674 37.981 38.487 0.281 0.000 1.027 503 N HN 0.427 nan 8.380 nan 0.000 0.422 504 T N 2.070 116.842 114.554 0.365 0.000 2.684 504 T HA -0.076 4.274 4.350 -0.000 0.000 0.267 504 T C 2.055 177.008 174.700 0.421 0.000 1.036 504 T CA 1.141 63.465 62.100 0.374 0.000 1.148 504 T CB -0.266 68.806 68.868 0.339 0.000 0.863 504 T HN 0.211 nan 8.240 nan 0.000 0.436 505 L N 0.626 122.087 121.223 0.396 0.000 2.141 505 L HA -0.088 4.252 4.340 -0.000 0.000 0.209 505 L C 2.860 179.953 176.870 0.372 0.000 1.094 505 L CA 1.037 56.119 54.840 0.403 0.000 0.763 505 L CB -1.009 41.233 42.059 0.304 0.000 0.908 505 L HN 0.307 nan 8.230 nan 0.000 0.437 506 T N -1.365 113.363 114.554 0.289 0.000 2.737 506 T HA -0.182 4.168 4.350 -0.000 0.000 0.265 506 T C 1.755 176.571 174.700 0.195 0.000 1.038 506 T CA 1.303 63.542 62.100 0.232 0.000 1.144 506 T CB -0.324 68.612 68.868 0.115 0.000 0.866 506 T HN 0.168 nan 8.240 nan 0.000 0.434 507 Y N 0.083 120.478 120.300 0.158 0.000 2.181 507 Y HA -0.111 4.439 4.550 -0.000 0.000 0.288 507 Y C 2.319 178.382 175.900 0.272 0.000 1.146 507 Y CA 0.934 59.075 58.100 0.069 0.000 1.164 507 Y CB -0.591 37.896 38.460 0.045 0.000 0.982 507 Y HN 0.273 nan 8.280 nan 0.000 0.515 508 Y N 0.023 120.572 120.300 0.415 0.000 2.163 508 Y HA -0.204 4.346 4.550 -0.000 0.000 0.288 508 Y C 2.376 178.512 175.900 0.393 0.000 1.136 508 Y CA 1.219 59.586 58.100 0.443 0.000 1.147 508 Y CB -0.813 37.867 38.460 0.368 0.000 0.987 508 Y HN 0.027 nan 8.280 nan 0.000 0.509 509 A N 0.768 123.728 122.820 0.232 0.000 1.902 509 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 509 A C 2.463 180.171 177.584 0.207 0.000 1.181 509 A CA 2.032 54.151 52.037 0.137 0.000 0.623 509 A CB -1.571 17.576 19.000 0.246 0.000 0.818 509 A HN 0.636 nan 8.150 nan 0.000 0.443 510 A N -0.435 122.536 122.820 0.251 0.000 1.940 510 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 510 A C 2.097 179.707 177.584 0.043 0.000 1.176 510 A CA 2.497 54.541 52.037 0.012 0.000 0.631 510 A CB -0.343 18.562 19.000 -0.159 0.000 0.814 510 A HN 0.467 nan 8.150 nan 0.000 0.446 511 K N 0.087 120.540 120.400 0.088 0.000 2.128 511 K HA -0.014 4.306 4.320 -0.000 0.000 0.202 511 K C 2.200 178.757 176.600 -0.072 0.000 1.050 511 K CA 1.633 57.873 56.287 -0.077 0.000 0.966 511 K CB -0.267 32.018 32.500 -0.359 0.000 0.759 511 K HN 0.508 nan 8.250 nan 0.000 0.454 512 S N -1.333 114.347 115.700 -0.034 0.000 2.470 512 S HA 0.146 4.616 4.470 -0.000 0.000 0.225 512 S C 1.525 176.095 174.600 -0.049 0.000 1.006 512 S CA 0.595 58.765 58.200 -0.050 0.000 0.934 512 S CB -0.135 62.833 63.200 -0.386 0.000 0.778 512 S HN 0.507 nan 8.310 nan 0.000 0.517 513 G N 1.190 109.970 108.800 -0.033 0.000 2.159 513 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.256 513 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.256 513 G C -0.251 174.665 174.900 0.027 0.000 0.977 513 G CA 0.153 45.269 45.100 0.027 0.000 0.652 513 G HN 0.697 nan 8.290 nan 0.000 0.531 514 D N 0.433 120.819 120.400 -0.024 0.000 2.349 514 D HA 0.354 4.994 4.640 -0.000 0.000 0.266 514 D C 1.553 177.893 176.300 0.067 0.000 1.293 514 D CA -0.086 53.935 54.000 0.036 0.000 0.926 514 D CB 0.488 41.331 40.800 0.072 0.000 1.090 514 D HN 0.151 nan 8.370 nan 0.000 0.502 515 E N 1.983 122.218 120.200 0.058 0.000 2.106 515 E HA -0.118 4.232 4.350 -0.000 0.000 0.192 515 E C 1.590 178.211 176.600 0.035 0.000 0.984 515 E CA 0.900 57.321 56.400 0.035 0.000 0.806 515 E CB 0.043 29.759 29.700 0.028 0.000 0.750 515 E HN 0.569 nan 8.360 nan 0.000 0.458 516 T N 0.574 115.166 114.554 0.064 0.000 2.720 516 T HA -0.115 4.235 4.350 -0.000 0.000 0.268 516 T C 2.094 176.846 174.700 0.087 0.000 1.037 516 T CA 1.578 63.719 62.100 0.068 0.000 1.144 516 T CB -0.184 68.734 68.868 0.085 0.000 0.864 516 T HN 0.065 nan 8.240 nan 0.000 0.444 517 S N 0.496 116.283 115.700 0.145 0.000 2.368 517 S HA -0.039 4.430 4.470 -0.000 0.000 0.224 517 S C 2.096 176.765 174.600 0.115 0.000 1.029 517 S CA 0.754 59.070 58.200 0.194 0.000 0.988 517 S CB -0.208 63.223 63.200 0.385 0.000 0.838 517 S HN 0.394 nan 8.310 nan 0.000 0.462 518 R N 1.470 121.993 120.500 0.037 0.000 2.073 518 R HA -0.170 4.169 4.340 -0.000 0.000 0.234 518 R C 2.597 178.831 176.300 -0.110 0.000 1.134 518 R CA 1.816 57.846 56.100 -0.117 0.000 0.952 518 R CB -0.375 29.736 30.300 -0.314 0.000 0.850 518 R HN 0.659 nan 8.270 nan 0.000 0.433 519 Q N -0.329 119.423 119.800 -0.080 0.000 2.167 519 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 519 Q C 1.334 177.282 176.000 -0.088 0.000 0.970 519 Q CA 1.448 57.194 55.803 -0.096 0.000 0.855 519 Q CB -0.226 28.465 28.738 -0.078 0.000 0.911 519 Q HN 0.241 nan 8.270 nan 0.000 0.438 520 N N 1.272 119.969 118.700 -0.006 0.000 2.188 520 N HA -0.057 4.683 4.740 -0.000 0.000 0.184 520 N C 1.796 177.335 175.510 0.049 0.000 1.018 520 N CA 1.512 54.607 53.050 0.075 0.000 0.858 520 N CB -0.417 38.149 38.487 0.132 0.000 0.989 520 N HN 0.455 nan 8.380 nan 0.000 0.426 521 A N 0.928 123.758 122.820 0.017 0.000 1.902 521 A HA -0.206 4.113 4.320 -0.000 0.000 0.217 521 A C 2.166 179.647 177.584 -0.171 0.000 1.181 521 A CA 1.645 53.677 52.037 -0.008 0.000 0.623 521 A CB -0.709 18.327 19.000 0.060 0.000 0.818 521 A HN 0.420 nan 8.150 nan 0.000 0.443 522 Q N -0.266 119.359 119.800 -0.292 0.000 2.119 522 Q HA -0.166 4.174 4.340 -0.000 0.000 0.201 522 Q C 1.897 177.737 176.000 -0.267 0.000 0.972 522 Q CA 1.656 57.154 55.803 -0.508 0.000 0.847 522 Q CB -0.114 28.327 28.738 -0.495 0.000 0.903 522 Q HN 0.675 nan 8.270 nan 0.000 0.433 523 K N 0.112 120.384 120.400 -0.212 0.000 2.097 523 K HA -0.108 4.212 4.320 -0.000 0.000 0.205 523 K C 2.136 178.684 176.600 -0.087 0.000 1.050 523 K CA 1.060 57.193 56.287 -0.257 0.000 0.938 523 K CB -0.036 32.080 32.500 -0.641 0.000 0.718 523 K HN 0.253 nan 8.250 nan 0.000 0.442 524 L N 0.842 122.051 121.223 -0.023 0.000 2.005 524 L HA -0.186 4.154 4.340 -0.000 0.000 0.207 524 L C 2.356 179.212 176.870 -0.022 0.000 1.072 524 L CA 1.107 55.861 54.840 -0.143 0.000 0.744 524 L CB -0.446 41.511 42.059 -0.169 0.000 0.895 524 L HN 0.149 nan 8.230 nan 0.000 0.433 525 L N -0.459 120.783 121.223 0.033 0.000 2.012 525 L HA -0.262 4.078 4.340 -0.000 0.000 0.210 525 L C 2.297 179.355 176.870 0.313 0.000 1.073 525 L CA 1.229 56.190 54.840 0.202 0.000 0.748 525 L CB -0.669 41.381 42.059 -0.016 0.000 0.891 525 L HN 0.312 nan 8.230 nan 0.000 0.431 526 D N 0.035 120.542 120.400 0.178 0.000 2.097 526 D HA -0.142 4.498 4.640 -0.000 0.000 0.197 526 D C 2.241 178.711 176.300 0.283 0.000 0.984 526 D CA 1.505 55.637 54.000 0.220 0.000 0.826 526 D CB -0.100 40.756 40.800 0.094 0.000 0.973 526 D HN 0.308 nan 8.370 nan 0.000 0.460 527 A N 0.765 123.727 122.820 0.236 0.000 1.908 527 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 527 A C 2.287 180.166 177.584 0.491 0.000 1.181 527 A CA 1.475 53.720 52.037 0.347 0.000 0.627 527 A CB -0.564 18.687 19.000 0.418 0.000 0.818 527 A HN 0.157 nan 8.150 nan 0.000 0.445 528 M N -1.890 117.978 119.600 0.447 0.000 2.132 528 M HA -0.137 4.343 4.480 -0.000 0.000 0.263 528 M C 2.274 178.760 176.300 0.311 0.000 1.065 528 M CA 1.480 57.004 55.300 0.373 0.000 1.122 528 M CB -0.344 32.282 32.600 0.043 0.000 1.365 528 M HN 0.818 nan 8.290 nan 0.000 0.411 529 W N 1.904 123.363 121.300 0.264 0.000 2.379 529 W HA -0.181 4.479 4.660 -0.000 0.000 0.307 529 W C 1.630 178.237 176.519 0.147 0.000 1.200 529 W CA 1.520 59.021 57.345 0.261 0.000 1.297 529 W CB -0.428 29.208 29.460 0.293 0.000 1.140 529 W HN 0.287 nan 8.180 nan 0.000 0.507 530 N N 0.354 119.204 118.700 0.250 0.000 2.300 530 N HA -0.125 4.615 4.740 -0.000 0.000 0.179 530 N C 0.977 176.466 175.510 -0.035 0.000 1.016 530 N CA 1.199 54.298 53.050 0.082 0.000 0.876 530 N CB -0.588 37.995 38.487 0.160 0.000 0.979 530 N HN 0.293 nan 8.380 nan 0.000 0.432 531 N N -0.615 118.080 118.700 -0.008 0.000 2.197 531 N HA 0.061 4.801 4.740 -0.000 0.000 0.201 531 N C -0.006 175.201 175.510 -0.506 0.000 1.148 531 N CA 0.186 53.082 53.050 -0.256 0.000 0.883 531 N CB 0.394 38.680 38.487 -0.336 0.000 1.012 531 N HN 0.289 nan 8.380 nan 0.000 0.507 532 Y N 0.184 120.431 120.300 -0.088 0.000 2.675 532 Y HA 0.346 4.896 4.550 -0.000 0.000 0.248 532 Y C 0.465 176.258 175.900 -0.179 0.000 1.161 532 Y CA -0.447 57.575 58.100 -0.130 0.000 1.203 532 Y CB 0.442 38.824 38.460 -0.130 0.000 1.262 532 Y HN -0.227 nan 8.280 nan 0.000 0.544 533 S N 1.903 117.528 115.700 -0.126 0.000 2.565 533 S HA 0.322 4.792 4.470 -0.000 0.000 0.276 533 S C -0.184 174.334 174.600 -0.136 0.000 1.326 533 S CA -0.340 57.738 58.200 -0.204 0.000 1.045 533 S CB 0.544 63.473 63.200 -0.452 0.000 0.918 533 S HN 0.502 nan 8.310 nan 0.000 0.505 534 D N -0.628 119.725 120.400 -0.077 0.000 2.652 534 D HA 0.293 4.933 4.640 -0.000 0.000 0.285 534 D C 0.789 177.074 176.300 -0.025 0.000 1.173 534 D CA -0.566 53.415 54.000 -0.031 0.000 0.981 534 D CB 0.049 40.877 40.800 0.047 0.000 1.440 534 D HN 0.325 nan 8.370 nan 0.000 0.485 535 S N -0.850 114.837 115.700 -0.023 0.000 2.469 535 S HA -0.138 4.331 4.470 -0.000 0.000 0.238 535 S C 0.993 175.583 174.600 -0.017 0.000 0.998 535 S CA 0.755 58.938 58.200 -0.028 0.000 0.957 535 S CB -0.465 62.712 63.200 -0.037 0.000 0.764 535 S HN 0.506 nan 8.310 nan 0.000 0.514 536 K N 0.604 120.993 120.400 -0.018 0.000 2.358 536 K HA 0.434 4.754 4.320 -0.000 0.000 0.200 536 K C 1.118 177.825 176.600 0.180 0.000 1.030 536 K CA 0.263 56.542 56.287 -0.014 0.000 1.097 536 K CB 0.866 33.125 32.500 -0.400 0.000 0.862 536 K HN 0.490 nan 8.250 nan 0.000 0.534 537 G N 1.789 110.679 108.800 0.150 0.000 1.930 537 G HA2 -0.048 3.911 3.960 -0.000 0.000 0.054 537 G HA3 -0.048 3.911 3.960 -0.000 0.000 0.054 537 G C -1.312 173.637 174.900 0.083 0.000 0.902 537 G CA -0.388 44.807 45.100 0.158 0.000 1.168 537 G HN 0.165 nan 8.290 nan 0.000 0.383 538 I N -1.015 119.585 120.570 0.049 0.000 2.865 538 I HA 0.907 5.077 4.170 -0.000 0.000 0.302 538 I C -0.254 175.797 176.117 -0.111 0.000 1.140 538 I CA -0.323 60.926 61.300 -0.086 0.000 1.021 538 I CB 2.381 40.185 38.000 -0.328 0.000 1.233 538 I HN 1.491 nan 8.210 nan 0.000 0.427 539 S N 2.204 117.840 115.700 -0.108 0.000 2.636 539 S HA 0.764 5.233 4.470 -0.000 0.000 0.266 539 S C -0.871 173.702 174.600 -0.045 0.000 1.147 539 S CA -0.460 57.622 58.200 -0.196 0.000 0.815 539 S CB 1.899 64.849 63.200 -0.416 0.000 1.119 539 S HN 1.108 nan 8.310 nan 0.000 0.470 540 T N -0.140 114.366 114.554 -0.080 0.000 2.802 540 T HA 0.567 4.917 4.350 -0.000 0.000 0.311 540 T C -1.669 172.999 174.700 -0.053 0.000 1.405 540 T CA -0.425 61.681 62.100 0.010 0.000 1.016 540 T CB 1.503 70.404 68.868 0.055 0.000 1.352 540 T HN 0.997 nan 8.240 nan 0.000 0.498 541 V N 3.839 123.733 119.914 -0.034 0.000 2.498 541 V HA 0.503 4.623 4.120 -0.000 0.000 0.279 541 V C 0.282 176.344 176.094 -0.053 0.000 1.048 541 V CA -0.168 62.102 62.300 -0.049 0.000 0.967 541 V CB 0.800 32.597 31.823 -0.043 0.000 0.988 541 V HN 0.871 nan 8.190 nan 0.000 0.473 542 E N 4.095 124.258 120.200 -0.063 0.000 2.343 542 E HA 0.552 4.902 4.350 -0.000 0.000 0.270 542 E C -1.213 175.340 176.600 -0.078 0.000 0.895 542 E CA -1.057 55.306 56.400 -0.062 0.000 0.767 542 E CB 1.970 31.637 29.700 -0.055 0.000 1.248 542 E HN 0.596 nan 8.360 nan 0.000 0.440 543 Q N 1.222 120.979 119.800 -0.071 0.000 2.261 543 Q HA 0.291 4.631 4.340 -0.000 0.000 0.252 543 Q C -0.505 175.414 176.000 -0.136 0.000 0.915 543 Q CA -0.708 55.041 55.803 -0.091 0.000 0.915 543 Q CB 1.188 29.892 28.738 -0.057 0.000 1.204 543 Q HN 0.278 nan 8.270 nan 0.000 0.421 544 R N 2.077 122.437 120.500 -0.234 0.000 2.937 544 R HA 0.161 4.501 4.340 -0.000 0.000 0.264 544 R C 0.896 177.076 176.300 -0.199 0.000 1.334 544 R CA -0.219 55.636 56.100 -0.409 0.000 1.516 544 R CB 0.270 29.882 30.300 -1.147 0.000 1.187 544 R HN 0.903 nan 8.270 nan 0.000 0.609 545 G N 0.869 109.636 108.800 -0.055 0.000 2.479 545 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.220 545 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.220 545 G C 0.643 175.617 174.900 0.123 0.000 1.115 545 G CA 0.464 45.586 45.100 0.036 0.000 0.757 545 G HN 0.363 nan 8.290 nan 0.000 0.560 546 D N -0.916 119.550 120.400 0.109 0.000 2.349 546 D HA 0.055 4.695 4.640 -0.000 0.000 0.214 546 D C 1.216 177.346 176.300 -0.284 0.000 1.063 546 D CA -0.209 53.759 54.000 -0.054 0.000 0.847 546 D CB 0.045 40.884 40.800 0.065 0.000 0.933 546 D HN 0.248 nan 8.370 nan 0.000 0.513 547 Y N 1.599 121.816 120.300 -0.138 0.000 2.483 547 Y HA -0.170 4.380 4.550 -0.000 0.000 0.291 547 Y C 2.379 178.165 175.900 -0.190 0.000 1.143 547 Y CA 0.372 58.449 58.100 -0.038 0.000 1.289 547 Y CB -0.799 37.781 38.460 0.200 0.000 0.983 547 Y HN 0.375 nan 8.280 nan 0.000 0.556 548 H N -0.749 118.271 119.070 -0.084 0.000 2.489 548 H HA -0.045 4.511 4.556 -0.000 0.000 0.293 548 H C 1.628 176.815 175.328 -0.236 0.000 1.066 548 H CA 1.114 57.092 56.048 -0.117 0.000 1.305 548 H CB -0.329 29.369 29.762 -0.106 0.000 1.386 548 H HN 0.280 nan 8.280 nan 0.000 0.551 549 R N -0.395 119.385 120.500 -1.201 0.000 2.237 549 R HA -0.052 4.288 4.340 -0.000 0.000 0.219 549 R C 1.814 177.713 176.300 -0.668 0.000 1.080 549 R CA 0.819 56.242 56.100 -1.129 0.000 0.995 549 R CB -0.376 28.769 30.300 -1.925 0.000 0.875 549 R HN 0.204 nan 8.270 nan 0.000 0.462 550 F N 0.886 120.466 119.950 -0.616 0.000 2.120 550 F HA -0.211 4.316 4.527 -0.000 0.000 0.300 550 F C 1.974 177.877 175.800 0.170 0.000 1.095 550 F CA 1.594 59.554 58.000 -0.066 0.000 1.249 550 F CB 0.011 39.001 39.000 -0.016 0.000 0.995 550 F HN -0.048 nan 8.300 nan 0.000 0.480 551 L N -1.108 120.272 121.223 0.261 0.000 2.425 551 L HA 0.045 4.385 4.340 -0.000 0.000 0.215 551 L C 1.143 178.108 176.870 0.158 0.000 1.065 551 L CA 0.771 55.752 54.840 0.236 0.000 0.842 551 L CB -0.380 41.784 42.059 0.174 0.000 1.033 551 L HN 0.100 nan 8.230 nan 0.000 0.474 552 D N -2.031 118.422 120.400 0.089 0.000 2.395 552 D HA -0.021 4.619 4.640 -0.000 0.000 0.213 552 D C 0.785 177.126 176.300 0.068 0.000 1.110 552 D CA -0.224 53.828 54.000 0.086 0.000 0.835 552 D CB 0.097 40.956 40.800 0.098 0.000 0.965 552 D HN -0.018 nan 8.370 nan 0.000 0.505 553 Q N 1.631 121.460 119.800 0.049 0.000 2.337 553 Q HA 0.173 4.513 4.340 -0.000 0.000 0.255 553 Q C -0.549 175.549 176.000 0.163 0.000 0.997 553 Q CA -0.335 55.511 55.803 0.072 0.000 0.925 553 Q CB 0.791 29.546 28.738 0.028 0.000 1.212 553 Q HN 0.303 nan 8.270 nan 0.000 0.436 554 E N 2.563 122.851 120.200 0.146 0.000 2.354 554 E HA 0.309 4.658 4.350 -0.000 0.000 0.269 554 E C -1.084 175.629 176.600 0.188 0.000 1.036 554 E CA -0.543 55.952 56.400 0.158 0.000 0.876 554 E CB 0.850 30.632 29.700 0.137 0.000 1.009 554 E HN 0.469 nan 8.360 nan 0.000 0.416 555 V N 5.309 125.330 119.914 0.180 0.000 2.427 555 V HA 0.195 4.315 4.120 -0.000 0.000 0.286 555 V C -0.195 175.998 176.094 0.165 0.000 1.034 555 V CA -0.653 61.758 62.300 0.186 0.000 0.893 555 V CB 0.857 32.771 31.823 0.152 0.000 0.982 555 V HN 0.588 nan 8.190 nan 0.000 0.452 556 F N 5.879 125.873 119.950 0.073 0.000 2.456 556 F HA 0.567 5.094 4.527 -0.000 0.000 0.358 556 F C -0.143 175.657 175.800 0.000 0.000 1.095 556 F CA 0.036 58.064 58.000 0.047 0.000 1.216 556 F CB 0.882 39.916 39.000 0.057 0.000 1.125 556 F HN 0.248 nan 8.300 nan 0.000 0.549 557 V N 7.472 126.762 119.914 -1.040 0.000 2.623 557 V HA 0.336 4.456 4.120 -0.000 0.000 0.304 557 V C -2.248 173.200 176.094 -1.076 0.000 1.054 557 V CA -2.007 59.809 62.300 -0.807 0.000 0.882 557 V CB 1.791 33.413 31.823 -0.335 0.000 1.002 557 V HN 0.656 nan 8.190 nan 0.000 0.424 558 P HA 0.123 nan 4.420 nan 0.000 0.266 558 P C -0.182 177.052 177.300 -0.110 0.000 1.193 558 P CA 0.142 63.066 63.100 -0.294 0.000 0.770 558 P CB 0.442 32.098 31.700 -0.072 0.000 0.836 559 A N 2.924 125.738 122.820 -0.011 0.000 2.546 559 A HA 0.396 4.716 4.320 -0.000 0.000 0.243 559 A C 1.615 179.232 177.584 0.055 0.000 1.063 559 A CA 0.763 52.815 52.037 0.024 0.000 0.757 559 A CB -1.419 17.612 19.000 0.052 0.000 0.991 559 A HN 0.893 nan 8.150 nan 0.000 0.503 560 G N 0.914 109.739 108.800 0.041 0.000 2.205 560 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.261 560 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.261 560 G C 0.120 175.043 174.900 0.039 0.000 0.980 560 G CA 0.536 45.653 45.100 0.028 0.000 0.632 560 G HN 1.230 nan 8.290 nan 0.000 0.533 561 W N 2.476 123.714 121.300 -0.103 0.000 2.316 561 W HA 0.573 5.233 4.660 -0.000 0.000 0.311 561 W C 0.726 177.167 176.519 -0.131 0.000 1.217 561 W CA 0.538 57.810 57.345 -0.123 0.000 1.199 561 W CB 1.077 30.451 29.460 -0.144 0.000 1.202 561 W HN 0.527 nan 8.180 nan 0.000 0.528 562 T N 3.039 117.320 114.554 -0.454 0.000 2.916 562 T HA 0.882 5.232 4.350 -0.000 0.000 0.305 562 T C -0.425 173.805 174.700 -0.782 0.000 1.119 562 T CA -0.426 61.475 62.100 -0.332 0.000 1.008 562 T CB 1.610 70.348 68.868 -0.217 0.000 1.129 562 T HN 0.836 nan 8.240 nan 0.000 0.480 563 G N 1.030 109.593 108.800 -0.395 0.000 2.548 563 G HA2 0.667 4.627 3.960 -0.000 0.000 0.301 563 G HA3 0.667 4.627 3.960 -0.000 0.000 0.301 563 G C -2.129 172.713 174.900 -0.098 0.000 1.349 563 G CA -1.118 43.750 45.100 -0.387 0.000 0.792 563 G HN 0.807 nan 8.290 nan 0.000 0.481 564 K N 0.028 120.396 120.400 -0.054 0.000 2.469 564 K HA 0.531 4.851 4.320 -0.000 0.000 0.254 564 K C -0.458 176.224 176.600 0.137 0.000 0.939 564 K CA -0.991 55.316 56.287 0.033 0.000 0.812 564 K CB 2.331 34.836 32.500 0.008 0.000 1.301 564 K HN 0.283 nan 8.250 nan 0.000 0.433 565 M N 1.676 121.352 119.600 0.127 0.000 2.227 565 M HA 0.180 4.660 4.480 -0.000 0.000 0.316 565 M C -1.643 174.682 176.300 0.043 0.000 1.144 565 M CA -2.260 53.120 55.300 0.134 0.000 1.121 565 M CB -0.208 32.398 32.600 0.011 0.000 1.440 565 M HN 0.279 nan 8.290 nan 0.000 0.473 566 P HA -0.170 nan 4.420 nan 0.000 0.217 566 P C 0.765 178.004 177.300 -0.102 0.000 1.151 566 P CA 1.424 64.444 63.100 -0.133 0.000 0.849 566 P CB -0.068 31.267 31.700 -0.608 0.000 0.787 567 N N -1.413 117.170 118.700 -0.195 0.000 2.461 567 N HA 0.020 4.760 4.740 -0.000 0.000 0.188 567 N C 1.240 176.680 175.510 -0.115 0.000 1.134 567 N CA 1.104 54.044 53.050 -0.184 0.000 0.878 567 N CB -0.642 37.672 38.487 -0.290 0.000 0.972 567 N HN 0.220 nan 8.380 nan 0.000 0.456 568 G N -0.178 108.582 108.800 -0.066 0.000 2.213 568 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.226 568 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.226 568 G C -0.643 174.232 174.900 -0.043 0.000 0.992 568 G CA 0.005 45.079 45.100 -0.044 0.000 0.632 568 G HN 0.432 nan 8.290 nan 0.000 0.511 569 D N 1.115 121.480 120.400 -0.060 0.000 2.487 569 D HA 0.343 4.983 4.640 -0.000 0.000 0.243 569 D C 0.889 177.187 176.300 -0.003 0.000 1.154 569 D CA 0.278 54.252 54.000 -0.043 0.000 0.876 569 D CB 1.499 42.261 40.800 -0.063 0.000 1.161 569 D HN 0.198 nan 8.370 nan 0.000 0.478 570 V N 4.335 124.248 119.914 -0.001 0.000 2.555 570 V HA 0.142 4.261 4.120 -0.000 0.000 0.286 570 V C 0.792 176.914 176.094 0.047 0.000 1.044 570 V CA -0.361 61.947 62.300 0.012 0.000 1.026 570 V CB 0.729 32.551 31.823 -0.003 0.000 0.981 570 V HN 0.315 nan 8.190 nan 0.000 0.480 571 I N 6.939 127.562 120.570 0.088 0.000 2.330 571 I HA 0.541 4.711 4.170 -0.000 0.000 0.289 571 I C 0.030 176.248 176.117 0.169 0.000 1.001 571 I CA -0.204 61.189 61.300 0.155 0.000 1.193 571 I CB 0.675 38.850 38.000 0.293 0.000 1.345 571 I HN 0.748 nan 8.210 nan 0.000 0.461 572 K N 2.773 123.234 120.400 0.102 0.000 2.607 572 K HA 0.453 4.773 4.320 -0.000 0.000 0.287 572 K C -1.091 175.519 176.600 0.017 0.000 0.996 572 K CA -0.859 55.474 56.287 0.076 0.000 0.876 572 K CB 1.169 33.693 32.500 0.040 0.000 1.496 572 K HN 0.290 nan 8.250 nan 0.000 0.415 573 S N 0.085 115.772 115.700 -0.022 0.000 2.593 573 S HA 0.293 4.763 4.470 -0.000 0.000 0.300 573 S C 1.179 175.777 174.600 -0.003 0.000 1.267 573 S CA 1.187 59.352 58.200 -0.059 0.000 1.065 573 S CB 0.233 63.394 63.200 -0.064 0.000 0.807 573 S HN 1.116 nan 8.310 nan 0.000 0.499 574 G N 0.862 109.672 108.800 0.016 0.000 2.232 574 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.226 574 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.226 574 G C 0.236 175.173 174.900 0.062 0.000 0.996 574 G CA -0.208 44.920 45.100 0.046 0.000 0.626 574 G HN 1.479 nan 8.290 nan 0.000 0.509 575 V N -1.009 118.940 119.914 0.058 0.000 2.999 575 V HA 0.665 4.785 4.120 -0.000 0.000 0.307 575 V C 0.542 176.703 176.094 0.111 0.000 1.084 575 V CA -0.566 61.780 62.300 0.076 0.000 1.155 575 V CB 1.190 33.053 31.823 0.066 0.000 0.975 575 V HN 0.270 nan 8.190 nan 0.000 0.490 576 K N 1.704 122.186 120.400 0.137 0.000 2.245 576 K HA 0.391 4.711 4.320 -0.000 0.000 0.234 576 K C 0.459 177.209 176.600 0.251 0.000 1.021 576 K CA -0.678 55.728 56.287 0.199 0.000 0.898 576 K CB 1.207 33.832 32.500 0.209 0.000 1.163 576 K HN 0.725 nan 8.250 nan 0.000 0.459 577 F N 1.120 121.176 119.950 0.177 0.000 2.087 577 F HA -0.285 4.242 4.527 -0.000 0.000 0.299 577 F C 1.914 177.857 175.800 0.239 0.000 1.100 577 F CA 1.673 59.800 58.000 0.211 0.000 1.226 577 F CB -0.120 39.038 39.000 0.263 0.000 0.983 577 F HN 0.499 nan 8.300 nan 0.000 0.479 578 I N 0.775 121.622 120.570 0.462 0.000 2.493 578 I HA -0.240 3.930 4.170 -0.000 0.000 0.254 578 I C 1.823 178.016 176.117 0.126 0.000 1.160 578 I CA 1.526 63.033 61.300 0.347 0.000 1.445 578 I CB -0.826 37.459 38.000 0.475 0.000 1.086 578 I HN 0.127 nan 8.210 nan 0.000 0.433 579 D N 0.728 121.196 120.400 0.113 0.000 2.218 579 D HA -0.117 4.523 4.640 -0.000 0.000 0.204 579 D C 1.850 178.151 176.300 0.002 0.000 0.976 579 D CA 1.848 55.880 54.000 0.054 0.000 0.853 579 D CB -0.182 40.660 40.800 0.070 0.000 0.939 579 D HN 0.616 nan 8.370 nan 0.000 0.481 580 I N -2.753 117.805 120.570 -0.020 0.000 3.891 580 I HA 0.292 4.462 4.170 -0.000 0.000 0.331 580 I C 0.241 176.297 176.117 -0.101 0.000 1.406 580 I CA -0.188 61.088 61.300 -0.039 0.000 1.139 580 I CB 0.311 38.314 38.000 0.005 0.000 1.056 580 I HN -0.318 nan 8.210 nan 0.000 0.399 581 R N 0.836 121.258 120.500 -0.130 0.000 2.648 581 R HA 0.161 4.501 4.340 -0.000 0.000 0.341 581 R C 1.255 177.458 176.300 -0.162 0.000 1.154 581 R CA 0.395 56.377 56.100 -0.196 0.000 1.228 581 R CB 0.740 31.005 30.300 -0.057 0.000 1.311 581 R HN 0.413 nan 8.270 nan 0.000 0.659 582 S N 0.140 115.717 115.700 -0.205 0.000 2.469 582 S HA -0.166 4.304 4.470 -0.000 0.000 0.238 582 S C 1.480 175.924 174.600 -0.260 0.000 0.998 582 S CA 0.819 58.900 58.200 -0.200 0.000 0.957 582 S CB 0.017 63.117 63.200 -0.166 0.000 0.764 582 S HN 0.318 nan 8.310 nan 0.000 0.514 583 K N -0.374 119.803 120.400 -0.372 0.000 2.362 583 K HA -0.006 4.314 4.320 -0.000 0.000 0.200 583 K C 1.375 177.922 176.600 -0.089 0.000 1.046 583 K CA 0.875 56.952 56.287 -0.349 0.000 0.952 583 K CB -0.303 31.760 32.500 -0.727 0.000 0.753 583 K HN 0.368 nan 8.250 nan 0.000 0.466 584 Y N 1.836 122.087 120.300 -0.081 0.000 2.333 584 Y HA -0.149 4.401 4.550 -0.000 0.000 0.290 584 Y C 1.530 177.137 175.900 -0.488 0.000 1.144 584 Y CA 1.123 59.205 58.100 -0.031 0.000 1.228 584 Y CB 0.043 38.529 38.460 0.043 0.000 0.985 584 Y HN -0.057 nan 8.280 nan 0.000 0.542 585 K N -0.256 119.764 120.400 -0.633 0.000 2.442 585 K HA -0.149 4.171 4.320 -0.000 0.000 0.198 585 K C 1.347 177.747 176.600 -0.334 0.000 1.042 585 K CA 1.008 56.692 56.287 -1.005 0.000 0.958 585 K CB -0.087 31.981 32.500 -0.720 0.000 0.766 585 K HN 0.492 nan 8.250 nan 0.000 0.474 586 Q N 0.467 120.190 119.800 -0.129 0.000 2.319 586 Q HA 0.028 4.368 4.340 -0.000 0.000 0.202 586 Q C -0.042 176.002 176.000 0.073 0.000 0.896 586 Q CA -0.088 55.707 55.803 -0.013 0.000 0.942 586 Q CB 0.391 29.115 28.738 -0.023 0.000 1.083 586 Q HN 0.212 nan 8.270 nan 0.000 0.510 587 D N 1.246 121.734 120.400 0.148 0.000 2.424 587 D HA 0.001 4.641 4.640 -0.000 0.000 0.244 587 D C -1.735 174.671 176.300 0.176 0.000 1.134 587 D CA -1.669 52.447 54.000 0.193 0.000 0.881 587 D CB 1.431 42.433 40.800 0.338 0.000 1.191 587 D HN -0.092 nan 8.370 nan 0.000 0.445 588 P HA -0.117 nan 4.420 nan 0.000 0.217 588 P C 0.499 177.852 177.300 0.089 0.000 1.148 588 P CA 1.145 64.291 63.100 0.076 0.000 0.828 588 P CB 0.264 31.983 31.700 0.032 0.000 0.783 589 E N -2.371 117.891 120.200 0.105 0.000 2.474 589 E HA -0.073 4.277 4.350 -0.000 0.000 0.194 589 E C 1.504 178.146 176.600 0.069 0.000 1.041 589 E CA -0.199 56.244 56.400 0.072 0.000 0.874 589 E CB -0.381 29.355 29.700 0.060 0.000 0.914 589 E HN 0.409 nan 8.360 nan 0.000 0.498 590 W N 2.190 123.469 121.300 -0.034 0.000 2.315 590 W HA -0.276 4.384 4.660 -0.000 0.000 0.323 590 W C 1.627 178.104 176.519 -0.071 0.000 1.233 590 W CA 1.463 58.762 57.345 -0.077 0.000 1.267 590 W CB -0.008 29.438 29.460 -0.024 0.000 1.160 590 W HN 0.084 nan 8.180 nan 0.000 0.474 591 Q N -0.264 119.549 119.800 0.022 0.000 2.135 591 Q HA -0.170 4.169 4.340 -0.000 0.000 0.204 591 Q C 2.041 177.950 176.000 -0.152 0.000 0.981 591 Q CA 2.473 58.234 55.803 -0.070 0.000 0.856 591 Q CB -1.173 27.590 28.738 0.042 0.000 0.902 591 Q HN 0.302 nan 8.270 nan 0.000 0.425 592 T N 1.313 115.799 114.554 -0.113 0.000 2.737 592 T HA -0.097 4.253 4.350 -0.000 0.000 0.265 592 T C 1.773 176.373 174.700 -0.167 0.000 1.038 592 T CA 1.177 63.213 62.100 -0.107 0.000 1.144 592 T CB -0.165 68.668 68.868 -0.059 0.000 0.866 592 T HN 0.253 nan 8.240 nan 0.000 0.434 593 M N 0.875 120.326 119.600 -0.248 0.000 2.086 593 M HA -0.102 4.378 4.480 -0.000 0.000 0.261 593 M C 2.239 178.314 176.300 -0.376 0.000 1.067 593 M CA 1.567 56.691 55.300 -0.294 0.000 1.116 593 M CB -0.339 32.014 32.600 -0.413 0.000 1.348 593 M HN 0.089 nan 8.290 nan 0.000 0.407 594 V N 0.920 120.486 119.914 -0.580 0.000 2.392 594 V HA -0.264 3.856 4.120 -0.000 0.000 0.249 594 V C 2.668 178.614 176.094 -0.248 0.000 1.059 594 V CA 1.860 63.866 62.300 -0.490 0.000 1.051 594 V CB -1.400 30.069 31.823 -0.589 0.000 0.658 594 V HN 0.641 nan 8.190 nan 0.000 0.455 595 A N -0.021 122.681 122.820 -0.198 0.000 1.902 595 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 595 A C 2.446 179.972 177.584 -0.098 0.000 1.181 595 A CA 2.141 54.108 52.037 -0.116 0.000 0.623 595 A CB -0.779 18.167 19.000 -0.090 0.000 0.818 595 A HN 0.573 nan 8.150 nan 0.000 0.443 596 A N -0.172 122.584 122.820 -0.107 0.000 1.877 596 A HA -0.068 4.252 4.320 -0.000 0.000 0.216 596 A C 2.173 179.715 177.584 -0.070 0.000 1.186 596 A CA 1.542 53.532 52.037 -0.079 0.000 0.620 596 A CB -0.668 18.288 19.000 -0.074 0.000 0.822 596 A HN 0.478 nan 8.150 nan 0.000 0.443 597 L N -0.718 120.453 121.223 -0.087 0.000 2.083 597 L HA -0.220 4.119 4.340 -0.000 0.000 0.209 597 L C 2.767 179.606 176.870 -0.052 0.000 1.083 597 L CA 1.148 55.951 54.840 -0.061 0.000 0.752 597 L CB -0.570 41.446 42.059 -0.072 0.000 0.899 597 L HN 0.416 nan 8.230 nan 0.000 0.433 598 Q N -0.214 119.549 119.800 -0.062 0.000 2.291 598 Q HA -0.084 4.256 4.340 -0.000 0.000 0.205 598 Q C 1.954 177.932 176.000 -0.036 0.000 0.970 598 Q CA 1.391 57.167 55.803 -0.044 0.000 0.876 598 Q CB -0.079 28.631 28.738 -0.046 0.000 0.935 598 Q HN 0.514 nan 8.270 nan 0.000 0.455 599 A N -0.479 122.316 122.820 -0.041 0.000 2.379 599 A HA 0.409 4.729 4.320 -0.000 0.000 0.236 599 A C 1.213 178.776 177.584 -0.034 0.000 1.272 599 A CA 0.550 52.566 52.037 -0.035 0.000 0.886 599 A CB -0.069 18.909 19.000 -0.036 0.000 0.962 599 A HN 0.321 nan 8.150 nan 0.000 0.504 600 G N -0.359 108.419 108.800 -0.036 0.000 2.221 600 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.265 600 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.265 600 G C -0.078 174.798 174.900 -0.039 0.000 1.041 600 G CA 0.570 45.647 45.100 -0.038 0.000 0.807 600 G HN 0.668 nan 8.290 nan 0.000 0.502 601 Q N -1.323 118.453 119.800 -0.039 0.000 2.297 601 Q HA 0.647 4.987 4.340 -0.000 0.000 0.268 601 Q C -0.044 175.936 176.000 -0.034 0.000 1.045 601 Q CA -1.095 54.686 55.803 -0.038 0.000 0.861 601 Q CB 2.662 31.377 28.738 -0.039 0.000 1.344 601 Q HN 0.131 nan 8.270 nan 0.000 0.452 602 V N 2.986 122.879 119.914 -0.034 0.000 2.461 602 V HA 0.209 4.329 4.120 -0.000 0.000 0.275 602 V C -2.108 173.960 176.094 -0.042 0.000 1.047 602 V CA -1.474 60.808 62.300 -0.029 0.000 0.955 602 V CB 0.634 32.437 31.823 -0.033 0.000 0.988 602 V HN 0.636 nan 8.190 nan 0.000 0.471 603 P HA 0.255 nan 4.420 nan 0.000 0.269 603 P C -0.251 176.991 177.300 -0.096 0.000 1.209 603 P CA 0.010 63.078 63.100 -0.053 0.000 0.776 603 P CB 0.435 32.136 31.700 0.002 0.000 0.876 604 T N -0.611 113.896 114.554 -0.078 0.000 2.908 604 T HA 0.663 5.013 4.350 -0.000 0.000 0.290 604 T C -0.743 173.916 174.700 -0.068 0.000 1.034 604 T CA -0.832 61.218 62.100 -0.084 0.000 1.010 604 T CB 1.561 70.393 68.868 -0.061 0.000 1.068 604 T HN 0.372 nan 8.240 nan 0.000 0.481 605 Q N 0.110 119.868 119.800 -0.071 0.000 2.462 605 Q HA 0.470 4.810 4.340 -0.000 0.000 0.285 605 Q C -1.330 174.640 176.000 -0.050 0.000 1.035 605 Q CA -0.949 54.830 55.803 -0.040 0.000 0.799 605 Q CB 3.244 31.972 28.738 -0.017 0.000 1.452 605 Q HN 0.711 nan 8.270 nan 0.000 0.404 606 R N 2.193 122.668 120.500 -0.042 0.000 2.320 606 R HA 0.484 4.824 4.340 -0.000 0.000 0.319 606 R C -1.523 174.708 176.300 -0.116 0.000 0.969 606 R CA -0.179 55.869 56.100 -0.087 0.000 0.857 606 R CB 0.347 30.614 30.300 -0.055 0.000 1.160 606 R HN 0.515 nan 8.270 nan 0.000 0.491 607 L N 3.711 124.828 121.223 -0.177 0.000 2.325 607 L HA 0.443 4.783 4.340 -0.000 0.000 0.278 607 L C -0.560 176.112 176.870 -0.331 0.000 1.023 607 L CA -1.049 53.703 54.840 -0.147 0.000 0.811 607 L CB 1.921 43.955 42.059 -0.041 0.000 1.249 607 L HN 0.642 nan 8.230 nan 0.000 0.431 608 H N 1.810 120.869 119.070 -0.018 0.000 2.632 608 H HA 0.357 4.913 4.556 -0.000 0.000 0.258 608 H C -0.747 174.608 175.328 0.046 0.000 1.278 608 H CA -0.554 55.507 56.048 0.021 0.000 1.352 608 H CB 0.356 30.144 29.762 0.042 0.000 1.418 608 H HN 0.307 nan 8.280 nan 0.000 0.513 609 R N 1.538 122.011 120.500 -0.045 0.000 2.389 609 R HA 0.048 4.387 4.340 -0.000 0.000 0.295 609 R C 0.566 176.780 176.300 -0.143 0.000 1.075 609 R CA -0.344 55.650 56.100 -0.176 0.000 1.005 609 R CB 0.699 30.737 30.300 -0.437 0.000 0.987 609 R HN 0.504 nan 8.270 nan 0.000 0.452 610 F N 4.388 124.257 119.950 -0.134 0.000 2.095 610 F HA -0.257 4.269 4.527 -0.000 0.000 0.298 610 F C 1.901 177.616 175.800 -0.142 0.000 1.104 610 F CA 1.562 59.484 58.000 -0.130 0.000 1.232 610 F CB -0.029 38.910 39.000 -0.102 0.000 0.987 610 F HN 0.708 nan 8.300 nan 0.000 0.475 611 W N 0.672 121.885 121.300 -0.146 0.000 2.363 611 W HA -0.067 4.593 4.660 -0.000 0.000 0.296 611 W C 1.970 178.233 176.519 -0.426 0.000 1.212 611 W CA 1.145 58.200 57.345 -0.483 0.000 1.260 611 W CB -1.514 27.662 29.460 -0.474 0.000 1.131 611 W HN 0.157 nan 8.180 nan 0.000 0.530 612 A N 1.522 123.692 122.820 -1.083 0.000 1.898 612 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 612 A C 2.200 179.565 177.584 -0.366 0.000 1.181 612 A CA 1.698 53.167 52.037 -0.947 0.000 0.620 612 A CB -0.831 17.547 19.000 -1.036 0.000 0.819 612 A HN 0.286 nan 8.150 nan 0.000 0.442 613 Q N -0.245 119.346 119.800 -0.348 0.000 2.050 613 Q HA -0.134 4.205 4.340 -0.000 0.000 0.202 613 Q C 2.435 178.341 176.000 -0.157 0.000 0.980 613 Q CA 1.714 57.396 55.803 -0.202 0.000 0.840 613 Q CB -0.986 27.555 28.738 -0.330 0.000 0.898 613 Q HN 0.624 nan 8.270 nan 0.000 0.424 614 S N 0.665 116.165 115.700 -0.333 0.000 2.368 614 S HA -0.209 4.261 4.470 -0.000 0.000 0.225 614 S C 1.908 176.545 174.600 0.063 0.000 1.030 614 S CA 1.571 59.677 58.200 -0.156 0.000 0.999 614 S CB -0.021 63.066 63.200 -0.188 0.000 0.844 614 S HN 0.357 nan 8.310 nan 0.000 0.459 615 E N 0.154 120.414 120.200 0.100 0.000 2.058 615 E HA -0.148 4.202 4.350 -0.000 0.000 0.194 615 E C 1.692 178.410 176.600 0.196 0.000 0.997 615 E CA 1.553 58.096 56.400 0.238 0.000 0.801 615 E CB -0.563 29.373 29.700 0.394 0.000 0.746 615 E HN 0.609 nan 8.360 nan 0.000 0.450 616 F N 0.631 120.607 119.950 0.042 0.000 2.134 616 F HA -0.076 4.451 4.527 -0.000 0.000 0.299 616 F C 1.988 177.854 175.800 0.109 0.000 1.097 616 F CA 1.576 59.621 58.000 0.075 0.000 1.264 616 F CB -0.863 38.173 39.000 0.059 0.000 1.001 616 F HN 0.111 nan 8.300 nan 0.000 0.479 617 A N -0.005 122.829 122.820 0.023 0.000 1.865 617 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 617 A C 2.350 180.052 177.584 0.197 0.000 1.191 617 A CA 2.248 54.306 52.037 0.035 0.000 0.623 617 A CB -1.443 17.600 19.000 0.071 0.000 0.826 617 A HN 0.258 nan 8.150 nan 0.000 0.444 618 V N -0.082 119.880 119.914 0.081 0.000 2.343 618 V HA -0.259 3.861 4.120 -0.000 0.000 0.247 618 V C 3.047 179.050 176.094 -0.152 0.000 1.051 618 V CA 1.941 64.165 62.300 -0.126 0.000 1.036 618 V CB -1.283 30.203 31.823 -0.562 0.000 0.654 618 V HN 0.633 nan 8.190 nan 0.000 0.451 619 A N 0.176 122.936 122.820 -0.101 0.000 1.940 619 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 619 A C 2.120 179.657 177.584 -0.080 0.000 1.176 619 A CA 2.014 54.019 52.037 -0.055 0.000 0.631 619 A CB -0.631 18.390 19.000 0.035 0.000 0.814 619 A HN 0.607 nan 8.150 nan 0.000 0.446 620 N N -0.077 118.541 118.700 -0.137 0.000 2.142 620 N HA -0.121 4.619 4.740 -0.000 0.000 0.186 620 N C 1.916 177.435 175.510 0.015 0.000 1.023 620 N CA 1.425 54.425 53.050 -0.083 0.000 0.852 620 N CB -0.559 37.827 38.487 -0.168 0.000 0.998 620 N HN 0.488 nan 8.380 nan 0.000 0.424 621 G N 1.043 109.846 108.800 0.005 0.000 2.418 621 G HA2 -0.164 3.795 3.960 -0.000 0.000 0.217 621 G HA3 -0.164 3.795 3.960 -0.000 0.000 0.217 621 G C 1.766 176.615 174.900 -0.085 0.000 1.158 621 G CA 0.580 45.675 45.100 -0.009 0.000 0.771 621 G HN 0.161 nan 8.290 nan 0.000 0.545 622 V N -0.295 119.518 119.914 -0.168 0.000 2.343 622 V HA -0.198 3.922 4.120 -0.000 0.000 0.247 622 V C 2.274 178.224 176.094 -0.240 0.000 1.051 622 V CA 1.807 63.942 62.300 -0.276 0.000 1.036 622 V CB -0.596 31.045 31.823 -0.303 0.000 0.654 622 V HN 0.496 nan 8.190 nan 0.000 0.451 623 Y N 1.054 121.217 120.300 -0.227 0.000 2.200 623 Y HA -0.146 4.404 4.550 -0.000 0.000 0.290 623 Y C 2.387 178.207 175.900 -0.133 0.000 1.137 623 Y CA 1.386 59.366 58.100 -0.199 0.000 1.163 623 Y CB -0.399 37.827 38.460 -0.391 0.000 0.988 623 Y HN 0.166 nan 8.280 nan 0.000 0.518 624 A N 0.153 122.999 122.820 0.043 0.000 1.940 624 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 624 A C 2.203 179.764 177.584 -0.038 0.000 1.176 624 A CA 2.034 54.108 52.037 0.062 0.000 0.631 624 A CB -0.999 18.043 19.000 0.069 0.000 0.814 624 A HN 0.579 nan 8.150 nan 0.000 0.446 625 I N -0.745 119.763 120.570 -0.104 0.000 2.333 625 I HA -0.131 4.039 4.170 -0.000 0.000 0.246 625 I C 2.054 178.020 176.117 -0.252 0.000 1.106 625 I CA 0.776 61.978 61.300 -0.164 0.000 1.411 625 I CB -0.173 37.683 38.000 -0.239 0.000 1.082 625 I HN 0.241 nan 8.210 nan 0.000 0.420 626 L N -0.701 120.288 121.223 -0.389 0.000 2.341 626 L HA 0.010 4.350 4.340 -0.000 0.000 0.214 626 L C 0.173 176.498 176.870 -0.908 0.000 1.115 626 L CA 0.794 55.271 54.840 -0.604 0.000 0.820 626 L CB 0.015 41.646 42.059 -0.714 0.000 0.944 626 L HN 0.131 nan 8.230 nan 0.000 0.452 627 F N 0.023 119.687 119.950 -0.477 0.000 2.584 627 F HA 0.296 4.823 4.527 -0.000 0.000 0.328 627 F C -1.501 174.133 175.800 -0.278 0.000 1.407 627 F CA -1.734 55.992 58.000 -0.456 0.000 1.145 627 F CB 0.462 38.955 39.000 -0.846 0.000 1.440 627 F HN -0.175 nan 8.300 nan 0.000 0.580 628 P HA -0.116 nan 4.420 nan 0.000 0.221 628 P C -0.191 177.125 177.300 0.027 0.000 1.145 628 P CA 1.407 64.495 63.100 -0.020 0.000 0.795 628 P CB 0.610 32.284 31.700 -0.044 0.000 0.775 629 D N 0.000 120.426 120.400 0.043 0.000 6.856 629 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 629 D CA 0.000 54.035 54.000 0.059 0.000 0.868 629 D CB 0.000 40.824 40.800 0.039 0.000 0.688 629 D HN 0.000 nan 8.370 nan 0.000 0.683