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 1fce_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 0.000 177.603 177.584 0.032 0.000 1.274 1 A CA 0.000 52.053 52.037 0.027 0.000 0.836 1 A CB 0.000 19.011 19.000 0.019 0.000 0.831 2 S N 1.484 117.201 115.700 0.027 0.000 2.565 2 S HA 0.209 nan 4.470 nan 0.000 0.274 2 S C 0.687 175.291 174.600 0.008 0.000 1.309 2 S CA -0.193 58.020 58.200 0.021 0.000 1.043 2 S CB 0.857 64.043 63.200 -0.024 0.000 0.939 2 S HN 0.095 8.419 8.310 0.023 0.000 0.504 3 S N 4.761 120.468 115.700 0.012 0.000 2.559 3 S HA 0.115 nan 4.470 nan 0.000 0.282 3 S C -1.003 173.591 174.600 -0.010 0.000 1.336 3 S CA -1.304 56.897 58.200 0.002 0.000 1.037 3 S CB -0.460 62.743 63.200 0.005 0.000 0.853 3 S HN 0.140 8.468 8.310 0.030 0.000 0.523 4 P HA -0.034 nan 4.420 nan 0.000 0.271 4 P C -1.774 175.519 177.300 -0.012 0.000 1.218 4 P CA -0.115 62.980 63.100 -0.008 0.000 0.780 4 P CB 0.434 32.128 31.700 -0.011 0.000 0.901 5 A N 1.765 124.585 122.820 0.000 0.000 2.354 5 A HA 0.146 nan 4.320 nan 0.000 0.321 5 A C -1.171 176.399 177.584 -0.022 0.000 1.125 5 A CA -1.605 50.433 52.037 0.001 0.000 0.799 5 A CB 2.820 21.872 19.000 0.087 0.000 1.293 5 A HN 0.020 8.172 8.150 0.003 0.000 0.452 6 N N 0.843 119.543 118.700 -0.001 0.000 2.429 6 N HA -0.167 nan 4.740 nan 0.000 0.271 6 N C 1.352 176.847 175.510 -0.026 0.000 1.272 6 N CA 0.826 53.899 53.050 0.039 0.000 0.921 6 N CB 0.922 39.511 38.487 0.171 0.000 1.128 6 N HN 0.013 8.291 8.380 0.002 0.103 0.481 7 K N 6.711 127.071 120.400 -0.067 0.000 2.097 7 K HA -0.313 nan 4.320 nan 0.000 0.206 7 K C 1.780 178.263 176.600 -0.196 0.000 1.049 7 K CA 2.992 59.200 56.287 -0.132 0.000 0.933 7 K CB 0.073 32.511 32.500 -0.102 0.000 0.717 7 K HN 0.346 8.571 8.250 -0.042 0.000 0.442 8 V N -1.534 118.250 119.914 -0.217 0.000 2.255 8 V HA -0.387 nan 4.120 nan 0.000 0.247 8 V C 2.244 177.976 176.094 -0.603 0.000 1.051 8 V CA 4.373 66.415 62.300 -0.431 0.000 1.018 8 V CB -0.577 30.915 31.823 -0.551 0.000 0.641 8 V HN -0.426 7.839 8.190 -0.137 -0.157 0.445 9 Y N -2.935 117.232 120.300 -0.222 0.000 2.395 9 Y HA -0.321 nan 4.550 nan 0.000 0.293 9 Y C 2.027 177.753 175.900 -0.290 0.000 1.123 9 Y CA 3.451 61.404 58.100 -0.245 0.000 1.227 9 Y CB -0.490 37.919 38.460 -0.085 0.000 1.012 9 Y HN -0.840 7.526 8.280 -0.127 -0.163 0.552 10 Q N 0.566 120.205 119.800 -0.268 0.000 2.079 10 Q HA -0.393 nan 4.340 nan 0.000 0.200 10 Q C 2.106 177.880 176.000 -0.376 0.000 0.974 10 Q CA 3.545 58.998 55.803 -0.583 0.000 0.840 10 Q CB -0.297 27.991 28.738 -0.749 0.000 0.898 10 Q HN -0.252 7.892 8.270 -0.211 0.000 0.430 11 D N -0.343 119.876 120.400 -0.303 0.000 2.144 11 D HA -0.256 nan 4.640 nan 0.000 0.199 11 D C 2.649 178.815 176.300 -0.223 0.000 0.984 11 D CA 3.373 57.239 54.000 -0.224 0.000 0.834 11 D CB -0.502 40.166 40.800 -0.222 0.000 0.955 11 D HN -0.184 7.998 8.370 -0.314 0.000 0.465 12 R N -0.704 119.562 120.500 -0.390 0.000 2.075 12 R HA -0.254 nan 4.340 nan 0.000 0.232 12 R C 2.257 178.477 176.300 -0.132 0.000 1.126 12 R CA 3.049 58.860 56.100 -0.480 0.000 0.963 12 R CB -0.103 29.709 30.300 -0.814 0.000 0.858 12 R HN -0.631 7.277 8.270 -0.443 0.096 0.435 13 F N 1.438 121.270 119.950 -0.196 0.000 2.075 13 F HA -0.381 nan 4.527 nan 0.000 0.297 13 F C 1.253 177.085 175.800 0.053 0.000 1.113 13 F CA 3.482 61.441 58.000 -0.069 0.000 1.218 13 F CB 0.024 38.992 39.000 -0.054 0.000 0.984 13 F HN -0.141 8.057 8.300 -0.040 0.078 0.472 14 E N -1.105 119.072 120.200 -0.039 0.000 2.118 14 E HA -0.521 nan 4.350 nan 0.000 0.195 14 E C 2.627 179.229 176.600 0.003 0.000 0.992 14 E CA 3.224 59.620 56.400 -0.007 0.000 0.804 14 E CB -0.460 29.279 29.700 0.065 0.000 0.741 14 E HN 0.087 8.484 8.360 0.061 0.000 0.458 15 S N -0.150 115.573 115.700 0.038 0.000 2.355 15 S HA -0.245 nan 4.470 nan 0.000 0.222 15 S C 2.139 176.802 174.600 0.106 0.000 1.031 15 S CA 3.367 61.646 58.200 0.133 0.000 0.993 15 S CB -0.105 63.284 63.200 0.315 0.000 0.859 15 S HN -0.152 8.154 8.310 0.015 0.013 0.453 16 M N 1.355 120.999 119.600 0.074 0.000 2.132 16 M HA -0.280 nan 4.480 nan 0.000 0.263 16 M C 2.064 178.301 176.300 -0.104 0.000 1.065 16 M CA 2.341 57.661 55.300 0.034 0.000 1.122 16 M CB -0.814 31.812 32.600 0.043 0.000 1.365 16 M HN -0.256 8.068 8.290 0.057 0.000 0.411 17 Y N 1.022 121.091 120.300 -0.386 0.000 2.181 17 Y HA -0.533 nan 4.550 nan 0.000 0.288 17 Y C 2.007 177.820 175.900 -0.144 0.000 1.146 17 Y CA 4.372 62.260 58.100 -0.353 0.000 1.164 17 Y CB -0.081 38.070 38.460 -0.515 0.000 0.982 17 Y HN 0.515 8.539 8.280 -0.297 0.078 0.515 18 S N -0.924 114.769 115.700 -0.011 0.000 2.368 18 S HA -0.359 nan 4.470 nan 0.000 0.225 18 S C 2.218 176.794 174.600 -0.041 0.000 1.030 18 S CA 3.965 62.156 58.200 -0.015 0.000 0.999 18 S CB -0.376 62.861 63.200 0.062 0.000 0.844 18 S HN -0.294 8.053 8.310 0.061 0.000 0.459 19 K N 0.825 121.221 120.400 -0.007 0.000 2.097 19 K HA -0.271 nan 4.320 nan 0.000 0.205 19 K C 1.648 178.298 176.600 0.083 0.000 1.050 19 K CA 2.890 59.207 56.287 0.049 0.000 0.938 19 K CB -0.006 32.540 32.500 0.077 0.000 0.718 19 K HN -0.628 7.623 8.250 0.001 0.000 0.442 20 I N -2.279 118.241 120.570 -0.083 0.000 2.315 20 I HA -0.313 nan 4.170 nan 0.000 0.248 20 I C 0.990 177.158 176.117 0.085 0.000 1.117 20 I CA 2.958 64.137 61.300 -0.202 0.000 1.404 20 I CB 0.238 38.006 38.000 -0.387 0.000 1.071 20 I HN -0.242 7.883 8.210 -0.141 0.000 0.419 21 K N -3.782 116.548 120.400 -0.116 0.000 2.400 21 K HA -0.025 nan 4.320 nan 0.000 0.194 21 K C 0.015 176.580 176.600 -0.058 0.000 1.033 21 K CA -0.831 55.360 56.287 -0.159 0.000 1.021 21 K CB -0.123 32.105 32.500 -0.452 0.000 0.808 21 K HN -0.699 7.391 8.250 -0.266 0.000 0.505 22 D N 2.126 122.535 120.400 0.015 0.000 2.412 22 D HA 0.102 nan 4.640 nan 0.000 0.257 22 D C -0.289 176.046 176.300 0.057 0.000 1.217 22 D CA -1.816 52.202 54.000 0.030 0.000 0.897 22 D CB 0.604 41.430 40.800 0.044 0.000 1.132 22 D HN -0.620 7.613 8.370 0.024 0.151 0.493 23 P HA -0.189 nan 4.420 nan 0.000 0.217 23 P C 0.227 177.544 177.300 0.028 0.000 1.148 23 P CA 1.967 65.080 63.100 0.022 0.000 0.828 23 P CB 0.127 31.827 31.700 -0.000 0.000 0.783 24 A N -3.848 118.982 122.820 0.016 0.000 2.067 24 A HA -0.181 nan 4.320 nan 0.000 0.219 24 A C 0.898 178.472 177.584 -0.017 0.000 1.158 24 A CA 1.982 54.020 52.037 0.001 0.000 0.661 24 A CB -0.494 18.504 19.000 -0.004 0.000 0.801 24 A HN -0.244 8.175 8.150 0.016 -0.259 0.452 25 N N -4.243 114.454 118.700 -0.004 0.000 2.446 25 N HA -0.037 nan 4.740 nan 0.000 0.179 25 N C 0.315 175.728 175.510 -0.162 0.000 1.054 25 N CA 0.246 53.248 53.050 -0.079 0.000 0.905 25 N CB 0.770 39.257 38.487 -0.001 0.000 0.973 25 N HN -0.399 7.855 8.380 0.036 0.148 0.448 26 G N -2.166 106.618 108.800 -0.027 0.000 2.221 26 G HA2 -0.345 nan 3.960 nan 0.000 0.265 26 G HA3 -0.345 nan 3.960 nan 0.000 0.265 26 G C -0.370 174.533 174.900 0.005 0.000 1.041 26 G CA 0.954 46.056 45.100 0.003 0.000 0.807 26 G HN -0.666 7.613 8.290 0.037 0.032 0.502 27 Y N -4.047 116.294 120.300 0.068 0.000 2.457 27 Y HA -0.214 nan 4.550 nan 0.000 0.292 27 Y C -0.662 174.953 175.900 -0.475 0.000 1.125 27 Y CA 2.178 60.225 58.100 -0.087 0.000 1.254 27 Y CB 0.664 39.080 38.460 -0.074 0.000 1.012 27 Y HN -0.023 8.424 8.280 0.278 0.000 0.555 28 F N -4.682 115.151 119.950 -0.196 0.000 2.556 28 F HA 0.414 nan 4.527 nan 0.000 0.327 28 F C -0.203 175.218 175.800 -0.631 0.000 1.059 28 F CA -1.958 55.717 58.000 -0.541 0.000 0.953 28 F CB 3.454 42.225 39.000 -0.381 0.000 1.227 28 F HN -0.935 7.515 8.300 0.305 0.033 0.478 29 S N 1.548 116.857 115.700 -0.652 0.000 2.655 29 S HA 0.250 nan 4.470 nan 0.000 0.265 29 S C 1.260 175.765 174.600 -0.158 0.000 1.240 29 S CA -0.846 57.106 58.200 -0.414 0.000 0.986 29 S CB 1.640 64.572 63.200 -0.447 0.000 0.985 29 S HN 0.586 8.379 8.310 -0.680 0.109 0.562 30 E N -0.436 119.717 120.200 -0.078 0.000 2.338 30 E HA -0.243 nan 4.350 nan 0.000 0.197 30 E C 0.690 177.252 176.600 -0.064 0.000 1.007 30 E CA 2.275 58.646 56.400 -0.048 0.000 0.849 30 E CB -1.072 28.619 29.700 -0.016 0.000 0.774 30 E HN 0.697 9.031 8.360 -0.043 0.000 0.506 31 Q N -1.763 117.967 119.800 -0.117 0.000 2.403 31 Q HA 0.108 nan 4.340 nan 0.000 0.203 31 Q C 0.306 176.258 176.000 -0.080 0.000 0.932 31 Q CA -0.396 55.338 55.803 -0.114 0.000 0.945 31 Q CB 0.799 29.367 28.738 -0.282 0.000 1.045 31 Q HN -0.643 7.492 8.270 -0.157 0.040 0.511 32 G N -1.160 107.582 108.800 -0.097 0.000 2.136 32 G HA2 -0.332 nan 3.960 nan 0.000 0.242 32 G HA3 -0.332 nan 3.960 nan 0.000 0.242 32 G C -0.355 174.549 174.900 0.006 0.000 0.989 32 G CA 0.129 45.196 45.100 -0.055 0.000 0.682 32 G HN -0.239 7.782 8.290 -0.121 0.196 0.522 33 I N 1.466 121.941 120.570 -0.157 0.000 2.353 33 I HA 0.317 nan 4.170 nan 0.000 0.293 33 I C -1.908 173.884 176.117 -0.541 0.000 0.992 33 I CA -3.025 58.117 61.300 -0.264 0.000 1.268 33 I CB 1.422 39.205 38.000 -0.361 0.000 1.387 33 I HN -0.716 7.345 8.210 -0.247 0.000 0.478 34 P HA 0.175 nan 4.420 nan 0.000 0.279 34 P C -1.484 175.301 177.300 -0.858 0.000 1.239 34 P CA -0.775 61.498 63.100 -1.377 0.000 0.789 34 P CB 0.442 30.837 31.700 -2.175 0.000 0.933 35 Y N -0.022 119.920 120.300 -0.597 0.000 2.295 35 Y HA 0.016 nan 4.550 nan 0.000 0.331 35 Y C 0.884 176.699 175.900 -0.143 0.000 1.311 35 Y CA -0.103 57.794 58.100 -0.338 0.000 1.430 35 Y CB 0.790 39.001 38.460 -0.416 0.000 1.339 35 Y HN 0.132 7.951 8.280 -0.769 0.000 0.552 36 H N 0.416 119.560 119.070 0.122 0.000 2.389 36 H HA -0.195 nan 4.556 nan 0.000 0.299 36 H C -0.603 174.861 175.328 0.226 0.000 1.081 36 H CA 3.271 59.431 56.048 0.186 0.000 1.345 36 H CB 1.314 31.171 29.762 0.157 0.000 1.393 36 H HN 0.094 8.549 8.280 0.291 0.000 0.520 37 S N -5.952 109.863 115.700 0.191 0.000 2.547 37 S HA 0.202 nan 4.470 nan 0.000 0.270 37 S C -0.767 173.902 174.600 0.115 0.000 1.150 37 S CA -0.991 57.291 58.200 0.137 0.000 0.850 37 S CB 2.323 65.597 63.200 0.124 0.000 1.118 37 S HN -0.603 7.841 8.310 0.237 0.008 0.461 38 I N 0.199 120.794 120.570 0.041 0.000 2.163 38 I HA -0.387 nan 4.170 nan 0.000 0.243 38 I C 0.034 176.163 176.117 0.020 0.000 1.085 38 I CA 4.081 65.353 61.300 -0.048 0.000 1.347 38 I CB 0.374 38.208 38.000 -0.276 0.000 1.044 38 I HN -0.180 8.064 8.210 0.058 0.000 0.408 39 E N -2.999 117.195 120.200 -0.010 0.000 2.384 39 E HA -0.102 nan 4.350 nan 0.000 0.266 39 E C 0.652 177.132 176.600 -0.200 0.000 1.012 39 E CA 1.398 57.758 56.400 -0.065 0.000 0.901 39 E CB -0.288 29.421 29.700 0.015 0.000 0.967 39 E HN -0.180 8.200 8.360 0.032 0.000 0.435 40 T N 0.753 115.088 114.554 -0.365 0.000 2.937 40 T HA -0.130 nan 4.350 nan 0.000 0.260 40 T C 0.285 174.855 174.700 -0.217 0.000 1.051 40 T CA 2.076 63.794 62.100 -0.636 0.000 1.141 40 T CB 0.123 68.529 68.868 -0.770 0.000 0.879 40 T HN 0.507 8.578 8.240 -0.283 0.000 0.459 41 L N 3.543 124.809 121.223 0.071 0.000 2.536 41 L HA 0.092 nan 4.340 nan 0.000 0.282 41 L C -1.588 175.443 176.870 0.268 0.000 1.174 41 L CA 0.552 55.557 54.840 0.275 0.000 0.989 41 L CB -0.271 41.900 42.059 0.187 0.000 1.311 41 L HN -0.145 8.096 8.230 0.017 0.000 0.455 42 M N 7.777 127.549 119.600 0.286 0.000 2.234 42 M HA 0.172 nan 4.480 nan 0.000 0.267 42 M C -1.977 174.415 176.300 0.153 0.000 1.022 42 M CA -0.505 54.947 55.300 0.253 0.000 0.993 42 M CB 3.132 35.825 32.600 0.155 0.000 1.836 42 M HN -0.473 8.061 8.290 0.407 0.000 0.479 43 V N 6.340 126.313 119.914 0.099 0.000 2.525 43 V HA 0.482 nan 4.120 nan 0.000 0.299 43 V C -1.228 174.792 176.094 -0.123 0.000 1.034 43 V CA -0.528 61.623 62.300 -0.248 0.000 0.863 43 V CB 1.353 32.546 31.823 -1.049 0.000 0.999 43 V HN 0.281 8.689 8.190 0.363 0.000 0.423 44 E N 5.269 125.379 120.200 -0.151 0.000 2.349 44 E HA 0.048 nan 4.350 nan 0.000 0.230 44 E C -1.439 175.133 176.600 -0.045 0.000 1.073 44 E CA 1.279 57.645 56.400 -0.056 0.000 1.635 44 E CB 1.380 31.108 29.700 0.047 0.000 3.361 44 E HN 0.552 8.803 8.360 -0.181 0.000 1.066 45 A N 0.416 123.230 122.820 -0.011 0.000 1.808 45 A HA 0.439 nan 4.320 nan 0.000 0.190 45 A C -2.099 175.591 177.584 0.176 0.000 1.822 45 A CA 0.272 52.408 52.037 0.165 0.000 1.090 45 A CB -0.358 18.752 19.000 0.183 0.000 1.004 45 A HN -0.043 8.060 8.150 -0.077 0.000 0.602 46 P HA 0.331 nan 4.420 nan 0.000 0.278 46 P C -1.945 175.309 177.300 -0.077 0.000 1.266 46 P CA -0.929 62.156 63.100 -0.026 0.000 0.807 46 P CB 0.914 32.528 31.700 -0.143 0.000 1.094 47 D N -4.791 115.610 120.400 0.002 0.000 2.424 47 D HA -0.025 nan 4.640 nan 0.000 0.220 47 D C -1.538 174.925 176.300 0.272 0.000 1.150 47 D CA -0.535 53.510 54.000 0.076 0.000 0.831 47 D CB 0.219 41.111 40.800 0.154 0.000 0.981 47 D HN 0.171 8.565 8.370 0.040 0.000 0.500 48 Y N -1.669 118.610 120.300 -0.035 0.000 2.482 48 Y HA 0.068 nan 4.550 nan 0.000 0.334 48 Y C -0.110 175.694 175.900 -0.160 0.000 1.091 48 Y CA -0.850 57.112 58.100 -0.230 0.000 1.027 48 Y CB 3.100 41.188 38.460 -0.619 0.000 1.306 48 Y HN -0.833 7.436 8.280 0.087 0.064 0.446 49 G N 3.451 111.829 108.800 -0.702 0.000 2.432 49 G HA2 -0.240 nan 3.960 nan 0.000 0.219 49 G HA3 -0.240 nan 3.960 nan 0.000 0.219 49 G C -0.234 174.465 174.900 -0.334 0.000 1.135 49 G CA 1.631 46.487 45.100 -0.406 0.000 0.767 49 G HN 0.529 8.217 8.290 -0.865 0.083 0.550 50 H N -0.917 117.502 119.070 -1.084 0.000 2.567 50 H HA 0.218 nan 4.556 nan 0.000 0.294 50 H C -1.118 174.139 175.328 -0.117 0.000 1.050 50 H CA -1.720 53.908 56.048 -0.699 0.000 1.168 50 H CB -0.831 28.335 29.762 -0.993 0.000 1.422 50 H HN -0.152 6.913 8.280 -1.999 0.016 0.562 51 V N -5.421 114.530 119.914 0.062 0.000 2.863 51 V HA 0.590 nan 4.120 nan 0.000 0.307 51 V C -1.620 174.532 176.094 0.097 0.000 1.061 51 V CA -2.417 59.953 62.300 0.117 0.000 1.024 51 V CB 0.988 32.868 31.823 0.095 0.000 1.049 51 V HN -0.735 7.356 8.190 -0.049 0.070 0.471 52 T N 2.776 117.354 114.554 0.040 0.000 2.940 52 T HA 0.603 nan 4.350 nan 0.000 0.288 52 T C -1.793 172.906 174.700 -0.001 0.000 1.045 52 T CA -1.917 60.200 62.100 0.029 0.000 1.018 52 T CB 2.556 71.387 68.868 -0.062 0.000 1.151 52 T HN 0.605 8.850 8.240 0.009 0.000 0.529 53 T N -1.788 112.806 114.554 0.067 0.000 2.901 53 T HA 0.636 nan 4.350 nan 0.000 0.293 53 T C 1.380 176.146 174.700 0.109 0.000 1.084 53 T CA -1.986 60.163 62.100 0.081 0.000 1.008 53 T CB 3.127 72.139 68.868 0.241 0.000 1.170 53 T HN 0.126 8.430 8.240 0.106 0.000 0.509 54 S N 1.155 116.929 115.700 0.123 0.000 2.447 54 S HA -0.346 nan 4.470 nan 0.000 0.233 54 S C 1.184 175.849 174.600 0.110 0.000 1.006 54 S CA 3.984 62.242 58.200 0.096 0.000 0.957 54 S CB -0.236 63.020 63.200 0.093 0.000 0.773 54 S HN 0.464 8.770 8.310 0.154 0.096 0.507 55 E N 2.997 123.293 120.200 0.160 0.000 2.051 55 E HA -0.307 nan 4.350 nan 0.000 0.192 55 E C 1.427 178.235 176.600 0.346 0.000 0.991 55 E CA 2.790 59.294 56.400 0.175 0.000 0.799 55 E CB -0.281 29.524 29.700 0.174 0.000 0.748 55 E HN 0.014 8.461 8.360 0.200 0.034 0.449 56 A N -0.532 122.496 122.820 0.346 0.000 1.902 56 A HA -0.271 nan 4.320 nan 0.000 0.217 56 A C 2.560 180.373 177.584 0.381 0.000 1.181 56 A CA 3.099 55.388 52.037 0.419 0.000 0.623 56 A CB -0.718 18.401 19.000 0.198 0.000 0.818 56 A HN -0.420 7.818 8.150 0.285 0.083 0.443 57 M N -2.635 117.092 119.600 0.211 0.000 2.108 57 M HA -0.330 nan 4.480 nan 0.000 0.261 57 M C 2.489 178.902 176.300 0.188 0.000 1.066 57 M CA 1.519 56.932 55.300 0.189 0.000 1.107 57 M CB -1.413 31.214 32.600 0.045 0.000 1.356 57 M HN -0.374 8.008 8.290 0.154 0.000 0.406 58 S N 0.397 116.178 115.700 0.134 0.000 2.423 58 S HA -0.293 nan 4.470 nan 0.000 0.231 58 S C 2.517 177.220 174.600 0.170 0.000 1.014 58 S CA 3.632 61.855 58.200 0.040 0.000 0.965 58 S CB -0.482 62.668 63.200 -0.083 0.000 0.785 58 S HN -0.095 8.300 8.310 0.141 0.000 0.495 59 Y N 2.608 123.127 120.300 0.366 0.000 2.337 59 Y HA -0.267 nan 4.550 nan 0.000 0.293 59 Y C 1.816 178.097 175.900 0.635 0.000 1.123 59 Y CA 4.051 62.463 58.100 0.519 0.000 1.201 59 Y CB -0.109 38.638 38.460 0.479 0.000 1.011 59 Y HN -0.520 7.984 8.280 0.562 0.113 0.545 60 Y N 0.943 121.649 120.300 0.677 0.000 2.200 60 Y HA -0.432 nan 4.550 nan 0.000 0.290 60 Y C 1.456 177.648 175.900 0.487 0.000 1.137 60 Y CA 1.913 60.393 58.100 0.633 0.000 1.163 60 Y CB -0.627 38.081 38.460 0.413 0.000 0.988 60 Y HN -0.033 8.619 8.280 0.826 0.123 0.518 61 M N -1.639 118.140 119.600 0.298 0.000 2.117 61 M HA -0.481 nan 4.480 nan 0.000 0.262 61 M C 2.033 178.717 176.300 0.640 0.000 1.065 61 M CA 4.359 59.803 55.300 0.240 0.000 1.114 61 M CB -0.279 32.357 32.600 0.060 0.000 1.361 61 M HN -0.321 8.058 8.290 0.298 0.090 0.408 62 W N -0.440 121.083 121.300 0.372 0.000 2.355 62 W HA -0.269 nan 4.660 nan 0.000 0.309 62 W C 1.997 178.789 176.519 0.455 0.000 1.206 62 W CA 2.501 60.067 57.345 0.368 0.000 1.284 62 W CB -0.384 29.204 29.460 0.213 0.000 1.145 62 W HN -0.468 7.996 8.180 0.605 0.078 0.502 63 L N -0.263 121.376 121.223 0.694 0.000 1.989 63 L HA -0.468 nan 4.340 nan 0.000 0.211 63 L C 1.902 179.212 176.870 0.733 0.000 1.071 63 L CA 3.954 59.187 54.840 0.656 0.000 0.749 63 L CB -0.288 42.142 42.059 0.619 0.000 0.890 63 L HN 0.010 8.673 8.230 0.721 0.000 0.431 64 E N -2.267 118.361 120.200 0.712 0.000 2.153 64 E HA -0.397 nan 4.350 nan 0.000 0.194 64 E C 2.472 179.424 176.600 0.586 0.000 0.988 64 E CA 2.808 59.613 56.400 0.675 0.000 0.811 64 E CB -0.673 29.366 29.700 0.565 0.000 0.746 64 E HN -0.231 8.535 8.360 0.677 0.000 0.466 65 A N -0.249 122.955 122.820 0.642 0.000 1.877 65 A HA -0.248 nan 4.320 nan 0.000 0.216 65 A C 2.200 180.025 177.584 0.402 0.000 1.186 65 A CA 2.993 55.298 52.037 0.446 0.000 0.620 65 A CB -0.768 18.505 19.000 0.456 0.000 0.822 65 A HN -0.024 8.567 8.150 0.761 0.016 0.443 66 M N -1.597 118.201 119.600 0.329 0.000 2.159 66 M HA -0.361 nan 4.480 nan 0.000 0.263 66 M C 1.632 177.601 176.300 -0.551 0.000 1.063 66 M CA 1.968 57.084 55.300 -0.306 0.000 1.110 66 M CB -0.282 32.090 32.600 -0.380 0.000 1.374 66 M HN -0.375 8.206 8.290 0.486 0.000 0.411 67 H N -1.007 118.000 119.070 -0.106 0.000 2.389 67 H HA -0.199 nan 4.556 nan 0.000 0.299 67 H C 2.056 177.168 175.328 -0.360 0.000 1.081 67 H CA 4.116 60.090 56.048 -0.124 0.000 1.345 67 H CB 0.081 29.638 29.762 -0.341 0.000 1.393 67 H HN -0.032 8.363 8.280 0.355 0.098 0.520 68 G N -1.484 106.944 108.800 -0.620 0.000 2.422 68 G HA2 -0.410 nan 3.960 nan 0.000 0.218 68 G HA3 -0.410 nan 3.960 nan 0.000 0.218 68 G C 1.093 175.342 174.900 -1.084 0.000 1.146 68 G CA 1.601 45.877 45.100 -1.375 0.000 0.769 68 G HN 0.147 8.181 8.290 -0.255 0.103 0.547 69 R N 1.996 122.057 120.500 -0.732 0.000 2.096 69 R HA -0.285 nan 4.340 nan 0.000 0.235 69 R C 1.228 177.072 176.300 -0.759 0.000 1.127 69 R CA 2.217 57.847 56.100 -0.783 0.000 0.968 69 R CB -0.427 28.934 30.300 -1.565 0.000 0.861 69 R HN -0.465 7.313 8.270 -0.640 0.109 0.440 70 F N -4.476 115.179 119.950 -0.492 0.000 2.530 70 F HA 0.093 nan 4.527 nan 0.000 0.292 70 F C 1.392 177.009 175.800 -0.304 0.000 1.109 70 F CA 1.067 58.853 58.000 -0.356 0.000 1.450 70 F CB 0.611 39.435 39.000 -0.293 0.000 1.114 70 F HN -0.726 7.104 8.300 -0.785 0.000 0.560 71 S N -2.513 113.007 115.700 -0.299 0.000 2.502 71 S HA 0.078 nan 4.470 nan 0.000 0.215 71 S C 1.440 175.904 174.600 -0.228 0.000 1.009 71 S CA 0.235 58.266 58.200 -0.283 0.000 0.908 71 S CB 1.394 64.281 63.200 -0.522 0.000 0.801 71 S HN -0.199 7.800 8.310 -0.519 0.000 0.505 72 G N 1.397 110.025 108.800 -0.286 0.000 2.184 72 G HA2 -0.414 nan 3.960 nan 0.000 0.264 72 G HA3 -0.414 nan 3.960 nan 0.000 0.264 72 G C -1.801 173.048 174.900 -0.085 0.000 0.975 72 G CA 0.524 45.560 45.100 -0.108 0.000 0.642 72 G HN -0.053 7.991 8.290 -0.410 0.000 0.536 73 D N 0.172 120.408 120.400 -0.273 0.000 2.373 73 D HA 0.180 nan 4.640 nan 0.000 0.227 73 D C -0.432 175.753 176.300 -0.192 0.000 1.091 73 D CA -1.621 52.323 54.000 -0.093 0.000 0.840 73 D CB 0.674 41.471 40.800 -0.005 0.000 1.060 73 D HN -0.643 7.381 8.370 -0.443 0.080 0.502 74 F N 4.523 124.549 119.950 0.126 0.000 2.639 74 F HA 0.185 nan 4.527 nan 0.000 0.302 74 F C 0.778 176.742 175.800 0.273 0.000 1.097 74 F CA -0.329 57.797 58.000 0.210 0.000 1.294 74 F CB 0.519 39.620 39.000 0.169 0.000 1.027 74 F HN 0.127 8.670 8.300 0.405 0.000 0.550 75 T N -0.519 114.236 114.554 0.336 0.000 2.867 75 T HA -0.215 nan 4.350 nan 0.000 0.268 75 T C 2.219 177.085 174.700 0.276 0.000 1.057 75 T CA 4.431 66.695 62.100 0.273 0.000 1.136 75 T CB -0.504 68.483 68.868 0.198 0.000 0.874 75 T HN -0.189 8.447 8.240 0.275 -0.231 0.466 76 G N 0.567 109.555 108.800 0.314 0.000 2.408 76 G HA2 -0.280 nan 3.960 nan 0.000 0.217 76 G HA3 -0.280 nan 3.960 nan 0.000 0.217 76 G C 0.524 175.601 174.900 0.295 0.000 1.150 76 G CA 1.806 47.090 45.100 0.307 0.000 0.776 76 G HN 0.277 8.742 8.290 0.325 0.020 0.542 77 F N 2.445 122.552 119.950 0.262 0.000 2.113 77 F HA -0.156 nan 4.527 nan 0.000 0.297 77 F C 0.681 176.648 175.800 0.280 0.000 1.103 77 F CA 2.313 60.480 58.000 0.278 0.000 1.248 77 F CB 0.275 39.530 39.000 0.426 0.000 0.999 77 F HN -0.507 8.043 8.300 0.565 0.090 0.475 78 D N -0.973 119.604 120.400 0.296 0.000 2.178 78 D HA -0.330 nan 4.640 nan 0.000 0.201 78 D C 2.337 178.697 176.300 0.100 0.000 0.980 78 D CA 3.455 57.562 54.000 0.177 0.000 0.842 78 D CB -0.593 40.338 40.800 0.218 0.000 0.948 78 D HN -0.272 8.381 8.370 0.472 0.000 0.472 79 K N -0.153 120.302 120.400 0.091 0.000 2.057 79 K HA -0.214 nan 4.320 nan 0.000 0.206 79 K C 1.965 178.557 176.600 -0.012 0.000 1.050 79 K CA 2.466 58.796 56.287 0.072 0.000 0.935 79 K CB -0.180 32.386 32.500 0.111 0.000 0.715 79 K HN -0.323 7.891 8.250 0.139 0.119 0.439 80 S N -0.271 115.288 115.700 -0.234 0.000 2.399 80 S HA -0.274 nan 4.470 nan 0.000 0.231 80 S C 2.305 176.689 174.600 -0.361 0.000 1.022 80 S CA 2.969 60.845 58.200 -0.540 0.000 0.983 80 S CB -0.420 62.125 63.200 -1.092 0.000 0.803 80 S HN -0.353 7.739 8.310 -0.218 0.087 0.480 81 W N 1.518 122.649 121.300 -0.282 0.000 2.418 81 W HA -0.150 nan 4.660 nan 0.000 0.292 81 W C 1.795 178.275 176.519 -0.066 0.000 1.213 81 W CA 3.822 61.061 57.345 -0.178 0.000 1.283 81 W CB 0.196 29.526 29.460 -0.216 0.000 1.119 81 W HN -0.590 7.404 8.180 -0.136 0.105 0.542 82 S N 0.338 116.139 115.700 0.168 0.000 2.368 82 S HA -0.312 nan 4.470 nan 0.000 0.225 82 S C 2.158 176.798 174.600 0.067 0.000 1.030 82 S CA 4.587 62.855 58.200 0.112 0.000 0.999 82 S CB -0.479 62.771 63.200 0.084 0.000 0.844 82 S HN -0.309 8.000 8.310 0.137 0.083 0.459 83 V N 1.589 121.564 119.914 0.101 0.000 2.343 83 V HA -0.420 nan 4.120 nan 0.000 0.247 83 V C 1.721 177.908 176.094 0.156 0.000 1.051 83 V CA 4.791 67.205 62.300 0.189 0.000 1.036 83 V CB -0.976 31.021 31.823 0.289 0.000 0.654 83 V HN 0.052 8.301 8.190 0.098 0.000 0.451 84 T N 1.812 116.398 114.554 0.053 0.000 2.674 84 T HA -0.389 nan 4.350 nan 0.000 0.265 84 T C 1.553 176.261 174.700 0.014 0.000 1.039 84 T CA 5.154 67.246 62.100 -0.013 0.000 1.150 84 T CB -0.492 68.236 68.868 -0.234 0.000 0.864 84 T HN -0.362 7.885 8.240 0.011 0.000 0.427 85 E N 0.952 121.187 120.200 0.057 0.000 2.110 85 E HA -0.331 nan 4.350 nan 0.000 0.193 85 E C 1.842 178.418 176.600 -0.040 0.000 0.988 85 E CA 2.727 59.156 56.400 0.049 0.000 0.804 85 E CB -0.092 29.706 29.700 0.164 0.000 0.745 85 E HN -0.353 8.074 8.360 0.112 0.000 0.458 86 Q N -2.497 117.221 119.800 -0.137 0.000 2.137 86 Q HA -0.207 nan 4.340 nan 0.000 0.198 86 Q C 1.510 177.239 176.000 -0.452 0.000 0.960 86 Q CA 2.669 58.245 55.803 -0.379 0.000 0.847 86 Q CB 0.880 29.224 28.738 -0.656 0.000 0.915 86 Q HN -0.436 7.759 8.270 -0.095 0.018 0.448 87 Y N -6.303 113.987 120.300 -0.016 0.000 2.483 87 Y HA 0.068 nan 4.550 nan 0.000 0.258 87 Y C 0.845 176.701 175.900 -0.073 0.000 1.083 87 Y CA 1.050 59.103 58.100 -0.077 0.000 1.283 87 Y CB 1.614 40.013 38.460 -0.101 0.000 1.178 87 Y HN -0.407 7.850 8.280 -0.038 0.000 0.515 88 L N -2.862 118.458 121.223 0.163 0.000 2.575 88 L HA 0.200 nan 4.340 nan 0.000 0.228 88 L C -0.873 176.132 176.870 0.225 0.000 1.075 88 L CA 1.087 56.050 54.840 0.206 0.000 0.867 88 L CB 1.596 43.720 42.059 0.108 0.000 1.097 88 L HN 0.178 8.374 8.230 0.121 0.107 0.485 89 I N -0.481 120.135 120.570 0.076 0.000 2.312 89 I HA 0.135 nan 4.170 nan 0.000 0.290 89 I C -1.847 174.233 176.117 -0.063 0.000 1.008 89 I CA -2.680 58.578 61.300 -0.069 0.000 1.226 89 I CB 0.481 38.305 38.000 -0.293 0.000 1.371 89 I HN -0.774 7.466 8.210 0.050 0.000 0.468 90 P HA -0.046 nan 4.420 nan 0.000 0.261 90 P C -1.012 176.177 177.300 -0.186 0.000 1.183 90 P CA -0.037 62.821 63.100 -0.404 0.000 0.761 90 P CB -0.111 31.016 31.700 -0.956 0.000 0.785 91 T N 2.016 116.502 114.554 -0.114 0.000 2.729 91 T HA 0.133 nan 4.350 nan 0.000 0.298 91 T C 1.193 175.838 174.700 -0.092 0.000 1.013 91 T CA -1.435 60.618 62.100 -0.078 0.000 0.957 91 T CB 2.168 71.000 68.868 -0.060 0.000 1.130 91 T HN -0.241 8.208 8.240 -0.076 -0.254 0.526 92 E N -1.825 118.338 120.200 -0.061 0.000 2.160 92 E HA -0.374 nan 4.350 nan 0.000 0.195 92 E C 1.589 178.148 176.600 -0.069 0.000 0.991 92 E CA 2.939 59.308 56.400 -0.051 0.000 0.810 92 E CB -0.518 29.165 29.700 -0.027 0.000 0.742 92 E HN 0.485 8.817 8.360 -0.047 0.000 0.466 93 K N -3.177 117.169 120.400 -0.091 0.000 2.228 93 K HA -0.121 nan 4.320 nan 0.000 0.202 93 K C 1.005 177.483 176.600 -0.204 0.000 1.051 93 K CA 1.731 57.941 56.287 -0.128 0.000 0.960 93 K CB 0.024 32.433 32.500 -0.152 0.000 0.743 93 K HN -0.705 7.471 8.250 -0.086 0.022 0.458 94 D N -2.900 117.386 120.400 -0.189 0.000 2.249 94 D HA 0.054 nan 4.640 nan 0.000 0.205 94 D C -0.448 175.709 176.300 -0.239 0.000 0.962 94 D CA 2.266 56.162 54.000 -0.173 0.000 0.860 94 D CB 1.822 42.500 40.800 -0.204 0.000 0.955 94 D HN -0.587 7.539 8.370 -0.156 0.150 0.505 95 Q N -2.355 117.240 119.800 -0.343 0.000 3.300 95 Q HA 0.458 nan 4.340 nan 0.000 0.271 95 Q C -2.716 173.113 176.000 -0.284 0.000 0.926 95 Q CA -3.320 52.133 55.803 -0.584 0.000 0.788 95 Q CB -0.070 28.621 28.738 -0.077 0.000 1.385 95 Q HN -0.493 7.644 8.270 -0.222 0.000 0.424 96 P HA -0.166 nan 4.420 nan 0.000 0.257 96 P C -0.316 177.010 177.300 0.043 0.000 1.162 96 P CA 0.489 63.575 63.100 -0.024 0.000 0.762 96 P CB -0.026 31.709 31.700 0.058 0.000 0.753 97 N N 5.591 124.315 118.700 0.041 0.000 2.364 97 N HA -0.345 nan 4.740 nan 0.000 0.183 97 N C 1.259 176.817 175.510 0.080 0.000 1.022 97 N CA 2.830 55.917 53.050 0.063 0.000 0.883 97 N CB -0.122 38.394 38.487 0.048 0.000 0.965 97 N HN 0.731 9.125 8.380 0.023 0.000 0.438 98 T N -4.754 109.846 114.554 0.076 0.000 2.759 98 T HA -0.293 nan 4.350 nan 0.000 0.269 98 T C 1.186 175.942 174.700 0.093 0.000 1.042 98 T CA 2.851 64.999 62.100 0.080 0.000 1.140 98 T CB -0.813 68.100 68.868 0.074 0.000 0.864 98 T HN 0.338 8.587 8.240 0.067 0.032 0.455 99 S N 0.045 115.810 115.700 0.109 0.000 2.388 99 S HA -0.000 nan 4.470 nan 0.000 0.223 99 S C 2.245 176.926 174.600 0.135 0.000 1.034 99 S CA 2.040 60.298 58.200 0.097 0.000 0.963 99 S CB 0.334 63.596 63.200 0.104 0.000 0.827 99 S HN -0.588 7.681 8.310 0.118 0.112 0.481 100 M N 1.556 121.262 119.600 0.176 0.000 2.213 100 M HA -0.190 nan 4.480 nan 0.000 0.263 100 M C 2.180 178.576 176.300 0.161 0.000 1.062 100 M CA 1.315 56.715 55.300 0.167 0.000 1.105 100 M CB -0.801 31.882 32.600 0.139 0.000 1.385 100 M HN -0.005 8.393 8.290 0.181 0.000 0.417 101 S N -0.840 114.943 115.700 0.138 0.000 2.515 101 S HA -0.172 nan 4.470 nan 0.000 0.231 101 S C 1.152 175.844 174.600 0.153 0.000 0.987 101 S CA 2.153 60.433 58.200 0.134 0.000 0.936 101 S CB -0.183 63.077 63.200 0.100 0.000 0.766 101 S HN 0.277 8.531 8.310 0.123 0.129 0.528 102 R N -0.517 120.085 120.500 0.169 0.000 2.310 102 R HA 0.073 nan 4.340 nan 0.000 0.202 102 R C -0.440 175.984 176.300 0.206 0.000 0.933 102 R CA -1.650 54.551 56.100 0.169 0.000 1.054 102 R CB -0.513 29.891 30.300 0.174 0.000 0.985 102 R HN -0.661 7.535 8.270 0.165 0.173 0.489 103 Y N 1.806 122.168 120.300 0.103 0.000 2.702 103 Y HA -0.312 nan 4.550 nan 0.000 0.336 103 Y C -0.930 175.018 175.900 0.080 0.000 1.235 103 Y CA 1.048 59.211 58.100 0.104 0.000 1.492 103 Y CB 0.504 39.012 38.460 0.079 0.000 1.308 103 Y HN -0.751 7.544 8.280 0.332 0.183 0.589 104 D N 6.712 126.746 120.400 -0.610 0.000 2.453 104 D HA 0.104 nan 4.640 nan 0.000 0.238 104 D C -0.260 175.571 176.300 -0.781 0.000 1.088 104 D CA -1.909 51.806 54.000 -0.474 0.000 0.854 104 D CB 0.870 41.535 40.800 -0.224 0.000 1.076 104 D HN 0.314 8.254 8.370 -0.717 0.000 0.533 105 A N 6.162 128.653 122.820 -0.549 0.000 2.125 105 A HA -0.228 nan 4.320 nan 0.000 0.219 105 A C 0.939 178.338 177.584 -0.308 0.000 1.156 105 A CA 2.435 54.249 52.037 -0.373 0.000 0.671 105 A CB -0.066 18.872 19.000 -0.103 0.000 0.794 105 A HN 0.690 8.646 8.150 -0.323 0.000 0.459 106 N N -4.731 113.823 118.700 -0.243 0.000 2.373 106 N HA 0.023 nan 4.740 nan 0.000 0.181 106 N C -0.388 175.035 175.510 -0.145 0.000 1.082 106 N CA 0.991 53.939 53.050 -0.169 0.000 0.885 106 N CB 0.876 39.296 38.487 -0.112 0.000 0.977 106 N HN -0.421 8.032 8.380 -0.238 -0.216 0.462 107 K N -1.005 119.291 120.400 -0.173 0.000 3.050 107 K HA 0.421 nan 4.320 nan 0.000 0.185 107 K C -2.443 174.104 176.600 -0.088 0.000 1.147 107 K CA -2.788 53.447 56.287 -0.086 0.000 0.916 107 K CB -0.088 32.380 32.500 -0.053 0.000 1.119 107 K HN -0.511 7.421 8.250 -0.255 0.165 0.605 108 P HA -0.184 nan 4.420 nan 0.000 0.216 108 P C -1.707 175.826 177.300 0.389 0.000 1.150 108 P CA 1.272 64.433 63.100 0.102 0.000 0.843 108 P CB 0.525 32.322 31.700 0.162 0.000 0.787 109 A N -6.527 116.517 122.820 0.373 0.000 2.536 109 A HA 0.245 nan 4.320 nan 0.000 0.293 109 A C -2.833 174.905 177.584 0.256 0.000 1.119 109 A CA -0.379 51.902 52.037 0.408 0.000 0.654 109 A CB 1.978 21.317 19.000 0.565 0.000 1.291 109 A HN -0.829 7.481 8.150 0.303 0.022 0.439 110 T N 0.147 114.786 114.554 0.142 0.000 2.779 110 T HA 0.301 nan 4.350 nan 0.000 0.280 110 T C -1.468 173.154 174.700 -0.130 0.000 0.987 110 T CA -0.589 61.515 62.100 0.007 0.000 0.966 110 T CB 0.449 69.288 68.868 -0.049 0.000 0.933 110 T HN -0.198 8.109 8.240 0.112 0.000 0.442 111 Y N 7.938 127.968 120.300 -0.450 0.000 2.702 111 Y HA -0.260 nan 4.550 nan 0.000 0.336 111 Y C -2.031 173.631 175.900 -0.397 0.000 1.235 111 Y CA 0.229 57.821 58.100 -0.846 0.000 1.492 111 Y CB 0.801 38.911 38.460 -0.584 0.000 1.308 111 Y HN 0.442 8.672 8.280 -0.083 0.000 0.589 112 A N 6.778 128.843 122.820 -1.259 0.000 2.459 112 A HA 0.387 nan 4.320 nan 0.000 0.296 112 A C -2.555 174.421 177.584 -1.014 0.000 1.039 112 A CA -2.588 48.971 52.037 -0.798 0.000 0.698 112 A CB 1.778 20.593 19.000 -0.307 0.000 1.261 112 A HN 0.368 7.589 8.150 -1.548 0.000 0.405 113 P HA 0.164 nan 4.420 nan 0.000 0.276 113 P C -1.588 175.242 177.300 -0.784 0.000 1.244 113 P CA -0.745 61.951 63.100 -0.672 0.000 0.801 113 P CB 0.827 32.198 31.700 -0.547 0.000 1.006 114 E N -0.807 119.005 120.200 -0.647 0.000 2.202 114 E HA 0.295 nan 4.350 nan 0.000 0.272 114 E C -0.864 175.328 176.600 -0.680 0.000 0.951 114 E CA -0.955 55.174 56.400 -0.452 0.000 0.813 114 E CB 2.915 32.535 29.700 -0.133 0.000 1.151 114 E HN -0.241 7.831 8.360 -0.480 0.000 0.398 115 F N 0.184 120.146 119.950 0.020 0.000 2.561 115 F HA 0.345 nan 4.527 nan 0.000 0.321 115 F C 0.705 176.561 175.800 0.094 0.000 1.065 115 F CA -0.977 57.019 58.000 -0.006 0.000 0.934 115 F CB 2.193 41.100 39.000 -0.155 0.000 1.215 115 F HN 0.364 8.767 8.300 0.171 0.000 0.471 116 Q N 0.954 120.894 119.800 0.233 0.000 2.415 116 Q HA -0.101 nan 4.340 nan 0.000 0.206 116 Q C -1.290 174.781 176.000 0.118 0.000 0.946 116 Q CA 1.076 56.948 55.803 0.115 0.000 0.951 116 Q CB 0.269 29.036 28.738 0.048 0.000 1.026 116 Q HN 0.416 8.840 8.270 0.257 0.000 0.510 117 D N -4.076 116.427 120.400 0.171 0.000 2.990 117 D HA 0.304 nan 4.640 nan 0.000 0.227 117 D C -1.859 174.523 176.300 0.136 0.000 1.249 117 D CA -2.874 51.181 54.000 0.091 0.000 0.891 117 D CB 2.098 42.897 40.800 -0.002 0.000 1.647 117 D HN -0.568 7.879 8.370 0.272 0.086 0.530 118 P HA -0.141 nan 4.420 nan 0.000 0.221 118 P C 0.471 177.647 177.300 -0.208 0.000 1.145 118 P CA 1.899 65.044 63.100 0.076 0.000 0.795 118 P CB 0.165 31.904 31.700 0.065 0.000 0.775 119 S N -1.778 113.555 115.700 -0.612 0.000 2.507 119 S HA -0.212 nan 4.470 nan 0.000 0.235 119 S C 1.111 175.262 174.600 -0.748 0.000 0.988 119 S CA 2.295 59.611 58.200 -1.474 0.000 0.944 119 S CB -0.741 61.860 63.200 -0.999 0.000 0.762 119 S HN -0.306 8.000 8.310 -0.363 -0.213 0.526 120 K N -0.885 119.293 120.400 -0.370 0.000 2.426 120 K HA 0.067 nan 4.320 nan 0.000 0.193 120 K C 0.133 176.506 176.600 -0.378 0.000 1.028 120 K CA -0.474 55.514 56.287 -0.498 0.000 1.047 120 K CB 0.068 32.028 32.500 -0.900 0.000 0.821 120 K HN -0.427 7.641 8.250 -0.207 0.057 0.513 121 Y N -0.518 119.746 120.300 -0.060 0.000 2.354 121 Y HA 0.105 nan 4.550 nan 0.000 0.322 121 Y C -1.735 174.245 175.900 0.133 0.000 1.253 121 Y CA -2.748 55.432 58.100 0.132 0.000 1.272 121 Y CB -0.412 38.186 38.460 0.229 0.000 1.255 121 Y HN -0.803 7.452 8.280 0.230 0.163 0.500 122 P HA 0.026 nan 4.420 nan 0.000 0.268 122 P C -1.973 175.411 177.300 0.140 0.000 1.205 122 P CA -0.064 63.179 63.100 0.239 0.000 0.771 122 P CB 0.776 32.554 31.700 0.131 0.000 0.858 123 S N 1.044 116.838 115.700 0.158 0.000 2.513 123 S HA 0.298 nan 4.470 nan 0.000 0.276 123 S C -1.040 173.597 174.600 0.061 0.000 1.254 123 S CA -2.764 55.490 58.200 0.091 0.000 1.053 123 S CB 1.474 64.632 63.200 -0.070 0.000 0.958 123 S HN 0.305 8.706 8.310 0.315 0.097 0.491 124 P HA 0.271 nan 4.420 nan 0.000 0.286 124 P C -1.335 175.951 177.300 -0.023 0.000 1.269 124 P CA -0.867 62.247 63.100 0.023 0.000 0.787 124 P CB 0.775 32.502 31.700 0.045 0.000 0.920 125 L N 3.278 124.477 121.223 -0.041 0.000 2.426 125 L HA -0.023 nan 4.340 nan 0.000 0.271 125 L C -0.064 176.794 176.870 -0.020 0.000 1.169 125 L CA 0.193 54.993 54.840 -0.067 0.000 0.836 125 L CB 0.442 42.451 42.059 -0.084 0.000 1.112 125 L HN 0.279 8.490 8.230 -0.032 0.000 0.465 126 D N 2.744 123.155 120.400 0.018 0.000 2.421 126 D HA 0.282 nan 4.640 nan 0.000 0.254 126 D C 0.652 176.971 176.300 0.031 0.000 1.238 126 D CA -0.934 53.098 54.000 0.053 0.000 0.919 126 D CB 2.020 42.901 40.800 0.134 0.000 1.152 126 D HN 0.283 8.657 8.370 0.006 0.000 0.552 127 T N 0.829 115.378 114.554 -0.007 0.000 3.051 127 T HA -0.147 nan 4.350 nan 0.000 0.269 127 T C 1.295 175.981 174.700 -0.024 0.000 1.127 127 T CA 1.959 64.047 62.100 -0.020 0.000 1.107 127 T CB -0.604 68.244 68.868 -0.033 0.000 0.898 127 T HN 0.480 8.711 8.240 -0.015 0.000 0.517 128 S N 0.010 115.696 115.700 -0.024 0.000 2.496 128 S HA -0.072 nan 4.470 nan 0.000 0.224 128 S C 0.677 175.235 174.600 -0.070 0.000 0.996 128 S CA 1.131 59.308 58.200 -0.039 0.000 0.927 128 S CB 0.311 63.492 63.200 -0.032 0.000 0.774 128 S HN -0.287 8.242 8.310 -0.012 -0.227 0.524 129 Q N 3.191 122.934 119.800 -0.095 0.000 2.314 129 Q HA 0.331 nan 4.340 nan 0.000 0.258 129 Q C -1.781 174.120 176.000 -0.164 0.000 0.954 129 Q CA -2.805 52.871 55.803 -0.212 0.000 0.890 129 Q CB -0.934 27.512 28.738 -0.488 0.000 1.210 129 Q HN -0.685 7.519 8.270 -0.051 0.035 0.410 130 P HA -0.023 nan 4.420 nan 0.000 0.269 130 P C -1.931 175.336 177.300 -0.054 0.000 1.209 130 P CA 0.034 63.075 63.100 -0.098 0.000 0.776 130 P CB 0.561 32.200 31.700 -0.102 0.000 0.876 131 V N 0.071 119.998 119.914 0.020 0.000 2.686 131 V HA 0.472 nan 4.120 nan 0.000 0.306 131 V C 0.131 176.293 176.094 0.112 0.000 1.065 131 V CA -1.063 61.318 62.300 0.135 0.000 0.894 131 V CB 2.968 34.899 31.823 0.180 0.000 1.004 131 V HN -0.050 8.142 8.190 0.004 0.000 0.424 132 G N 5.843 114.756 108.800 0.188 0.000 2.553 132 G HA2 0.423 nan 3.960 nan 0.000 0.278 132 G HA3 0.423 nan 3.960 nan 0.000 0.278 132 G C -1.513 173.376 174.900 -0.020 0.000 1.349 132 G CA -0.376 44.799 45.100 0.125 0.000 1.037 132 G HN 0.349 8.818 8.290 0.298 0.000 0.508 133 R N -1.255 119.187 120.500 -0.097 0.000 2.486 133 R HA 0.057 nan 4.340 nan 0.000 0.286 133 R C -0.987 174.987 176.300 -0.544 0.000 0.999 133 R CA -0.675 55.264 56.100 -0.268 0.000 0.993 133 R CB 1.678 31.886 30.300 -0.155 0.000 1.084 133 R HN -0.357 7.905 8.270 -0.012 0.000 0.487 134 D N 3.360 123.335 120.400 -0.707 0.000 2.359 134 D HA 0.328 nan 4.640 nan 0.000 0.230 134 D C -0.206 175.821 176.300 -0.454 0.000 1.118 134 D CA -3.330 50.160 54.000 -0.851 0.000 0.844 134 D CB 2.216 42.646 40.800 -0.616 0.000 1.059 134 D HN 0.083 8.138 8.370 -0.524 0.000 0.493 135 P HA 0.098 nan 4.420 nan 0.000 0.245 135 P C -0.101 177.015 177.300 -0.306 0.000 1.203 135 P CA 0.619 63.502 63.100 -0.361 0.000 0.792 135 P CB 0.719 32.123 31.700 -0.495 0.000 0.997 136 I N -6.788 113.543 120.570 -0.398 0.000 3.783 136 I HA 0.146 nan 4.170 nan 0.000 0.310 136 I C 0.737 176.718 176.117 -0.227 0.000 1.274 136 I CA 0.351 61.465 61.300 -0.310 0.000 1.294 136 I CB 0.666 38.405 38.000 -0.435 0.000 1.051 136 I HN -0.284 7.809 8.210 -0.545 -0.211 0.435 137 N N 1.866 120.493 118.700 -0.122 0.000 2.069 137 N HA -0.387 nan 4.740 nan 0.000 0.191 137 N C 1.756 177.272 175.510 0.010 0.000 1.031 137 N CA 4.199 57.264 53.050 0.025 0.000 0.852 137 N CB -0.005 38.604 38.487 0.202 0.000 1.018 137 N HN -0.357 8.147 8.380 -0.134 -0.205 0.423 138 S N -0.770 114.927 115.700 -0.005 0.000 2.399 138 S HA -0.324 nan 4.470 nan 0.000 0.231 138 S C 2.236 176.819 174.600 -0.029 0.000 1.022 138 S CA 3.454 61.651 58.200 -0.004 0.000 0.983 138 S CB -0.789 62.404 63.200 -0.010 0.000 0.803 138 S HN 0.312 8.608 8.310 -0.022 0.000 0.480 139 Q N 1.881 121.648 119.800 -0.055 0.000 2.079 139 Q HA -0.244 nan 4.340 nan 0.000 0.200 139 Q C 2.565 178.505 176.000 -0.100 0.000 0.974 139 Q CA 2.840 58.599 55.803 -0.073 0.000 0.840 139 Q CB -0.117 28.578 28.738 -0.071 0.000 0.898 139 Q HN -0.739 7.369 8.270 -0.067 0.122 0.430 140 L N -1.614 119.552 121.223 -0.095 0.000 2.072 140 L HA -0.306 nan 4.340 nan 0.000 0.205 140 L C 2.184 179.109 176.870 0.093 0.000 1.079 140 L CA 3.161 57.974 54.840 -0.045 0.000 0.752 140 L CB -0.115 41.822 42.059 -0.204 0.000 0.906 140 L HN -0.226 7.857 8.230 -0.104 0.085 0.436 141 T N -2.950 111.645 114.554 0.069 0.000 2.867 141 T HA -0.299 nan 4.350 nan 0.000 0.268 141 T C 2.334 177.052 174.700 0.030 0.000 1.057 141 T CA 4.201 66.355 62.100 0.090 0.000 1.136 141 T CB -0.730 68.186 68.868 0.080 0.000 0.874 141 T HN 0.246 8.508 8.240 0.038 0.000 0.466 142 S N 3.196 118.882 115.700 -0.024 0.000 2.368 142 S HA -0.257 nan 4.470 nan 0.000 0.224 142 S C 0.925 175.443 174.600 -0.136 0.000 1.029 142 S CA 2.534 60.697 58.200 -0.062 0.000 0.988 142 S CB -0.174 62.989 63.200 -0.063 0.000 0.838 142 S HN -0.498 7.782 8.310 -0.024 0.015 0.462 143 A N -0.719 121.952 122.820 -0.248 0.000 1.930 143 A HA -0.054 nan 4.320 nan 0.000 0.215 143 A C 1.630 178.832 177.584 -0.637 0.000 1.176 143 A CA 2.284 54.015 52.037 -0.509 0.000 0.632 143 A CB 0.503 19.038 19.000 -0.775 0.000 0.819 143 A HN -0.557 7.469 8.150 -0.207 0.000 0.445 144 Y N -4.798 115.493 120.300 -0.015 0.000 2.458 144 Y HA -0.062 nan 4.550 nan 0.000 0.254 144 Y C 1.062 176.968 175.900 0.011 0.000 1.120 144 Y CA -0.623 57.481 58.100 0.008 0.000 1.282 144 Y CB 0.384 38.891 38.460 0.079 0.000 1.109 144 Y HN -0.099 8.096 8.280 -0.142 0.000 0.526 145 G N -1.107 107.750 108.800 0.096 0.000 2.198 145 G HA2 -0.478 nan 3.960 nan 0.000 0.260 145 G HA3 -0.478 nan 3.960 nan 0.000 0.260 145 G C -1.026 173.927 174.900 0.088 0.000 1.025 145 G CA 0.552 45.693 45.100 0.068 0.000 0.769 145 G HN -0.346 7.882 8.290 0.050 0.092 0.507 146 T N -3.280 111.350 114.554 0.126 0.000 2.840 146 T HA 0.232 nan 4.350 nan 0.000 0.317 146 T C -1.542 173.229 174.700 0.119 0.000 1.401 146 T CA -1.094 61.069 62.100 0.104 0.000 1.028 146 T CB 1.796 70.716 68.868 0.086 0.000 1.317 146 T HN -0.642 7.673 8.240 0.170 0.027 0.495 147 S N 2.477 118.228 115.700 0.086 0.000 2.535 147 S HA 0.208 nan 4.470 nan 0.000 0.214 147 S C 0.481 175.091 174.600 0.017 0.000 0.980 147 S CA 0.380 58.624 58.200 0.073 0.000 0.907 147 S CB 1.209 64.460 63.200 0.085 0.000 0.790 147 S HN 0.351 9.003 8.310 0.073 -0.298 0.510 148 M N 1.312 120.913 119.600 0.001 0.000 2.243 148 M HA -0.121 nan 4.480 nan 0.000 0.341 148 M C -0.853 175.296 176.300 -0.252 0.000 1.130 148 M CA 0.889 56.142 55.300 -0.078 0.000 1.162 148 M CB 0.727 33.297 32.600 -0.049 0.000 1.497 148 M HN -0.677 7.652 8.290 0.028 -0.022 0.456 149 L N -0.148 120.783 121.223 -0.486 0.000 2.325 149 L HA 0.180 nan 4.340 nan 0.000 0.279 149 L C -1.085 175.290 176.870 -0.826 0.000 1.054 149 L CA -1.005 53.312 54.840 -0.872 0.000 0.804 149 L CB 1.021 42.342 42.059 -1.229 0.000 1.200 149 L HN -0.091 8.205 8.230 -0.408 -0.310 0.436 150 Y N 4.958 124.402 120.300 -1.427 0.000 2.841 150 Y HA 0.021 nan 4.550 nan 0.000 0.329 150 Y C -1.695 174.036 175.900 -0.283 0.000 1.062 150 Y CA -0.756 56.908 58.100 -0.727 0.000 1.281 150 Y CB -0.131 37.907 38.460 -0.702 0.000 1.147 150 Y HN 0.248 6.948 8.280 -2.633 0.000 0.521 151 G N 2.829 111.470 108.800 -0.265 0.000 2.677 151 G HA2 0.220 nan 3.960 nan 0.000 0.291 151 G HA3 0.220 nan 3.960 nan 0.000 0.291 151 G C -2.226 172.681 174.900 0.012 0.000 1.435 151 G CA -0.745 44.352 45.100 -0.006 0.000 0.826 151 G HN -0.776 7.327 8.290 -0.311 0.000 0.491 152 M N 0.387 120.020 119.600 0.056 0.000 2.216 152 M HA -0.044 nan 4.480 nan 0.000 0.356 152 M C -0.638 175.770 176.300 0.179 0.000 1.205 152 M CA 0.386 55.739 55.300 0.087 0.000 1.122 152 M CB 1.493 34.123 32.600 0.050 0.000 1.571 152 M HN -0.268 8.455 8.290 0.073 -0.389 0.464 153 H N 4.745 123.898 119.070 0.139 0.000 2.652 153 H HA -0.156 nan 4.556 nan 0.000 0.349 153 H C 0.258 175.716 175.328 0.217 0.000 1.099 153 H CA 0.266 56.411 56.048 0.161 0.000 1.417 153 H CB 1.711 31.534 29.762 0.102 0.000 1.457 153 H HN 0.281 8.725 8.280 0.272 0.000 0.568 154 W N 4.541 125.500 121.300 -0.569 0.000 2.519 154 W HA -0.080 nan 4.660 nan 0.000 0.266 154 W C -1.667 174.753 176.519 -0.166 0.000 1.253 154 W CA -0.165 57.009 57.345 -0.285 0.000 1.274 154 W CB 0.941 30.286 29.460 -0.192 0.000 1.114 154 W HN 0.218 8.157 8.180 -0.403 0.000 0.596 155 I N -2.002 117.911 120.570 -1.095 0.000 2.686 155 I HA 0.512 nan 4.170 nan 0.000 0.295 155 I C -2.920 173.066 176.117 -0.219 0.000 1.114 155 I CA -1.196 59.595 61.300 -0.848 0.000 1.038 155 I CB 2.589 39.614 38.000 -1.625 0.000 1.238 155 I HN -1.026 6.346 8.210 -1.396 0.000 0.420 156 L N 7.134 128.278 121.223 -0.132 0.000 2.438 156 L HA 0.587 nan 4.340 nan 0.000 0.270 156 L C -2.720 174.141 176.870 -0.015 0.000 0.972 156 L CA -0.734 54.077 54.840 -0.049 0.000 0.831 156 L CB 4.559 46.557 42.059 -0.101 0.000 1.273 156 L HN 0.651 8.779 8.230 -0.170 0.000 0.405 157 D N 7.014 127.439 120.400 0.041 0.000 2.470 157 D HA 0.142 nan 4.640 nan 0.000 0.226 157 D C 0.987 177.327 176.300 0.068 0.000 1.196 157 D CA -0.963 53.116 54.000 0.132 0.000 0.979 157 D CB -0.040 40.901 40.800 0.235 0.000 1.059 157 D HN 0.290 8.681 8.370 0.036 0.000 0.515 158 V N 6.044 125.995 119.914 0.062 0.000 2.250 158 V HA -0.342 nan 4.120 nan 0.000 0.250 158 V C 0.832 176.946 176.094 0.034 0.000 1.060 158 V CA 3.115 65.421 62.300 0.010 0.000 1.030 158 V CB -0.294 31.569 31.823 0.066 0.000 0.643 158 V HN -0.170 8.077 8.190 0.095 0.000 0.445 159 D N -4.497 115.982 120.400 0.131 0.000 2.388 159 D HA 0.161 nan 4.640 nan 0.000 0.221 159 D C -1.360 174.994 176.300 0.090 0.000 1.133 159 D CA -0.619 53.449 54.000 0.114 0.000 0.831 159 D CB -0.110 40.794 40.800 0.173 0.000 0.962 159 D HN 0.054 8.539 8.370 0.192 0.000 0.502 160 N N -1.446 117.303 118.700 0.081 0.000 2.738 160 N HA -0.400 nan 4.740 nan 0.000 0.249 160 N C -0.297 175.218 175.510 0.007 0.000 1.047 160 N CA 0.726 53.801 53.050 0.041 0.000 0.707 160 N CB -1.072 37.414 38.487 -0.000 0.000 0.937 160 N HN -0.519 7.782 8.380 0.087 0.132 0.545 161 W N -1.794 119.380 121.300 -0.209 0.000 2.388 161 W HA -0.292 nan 4.660 nan 0.000 0.294 161 W C 1.056 177.224 176.519 -0.584 0.000 1.212 161 W CA 3.517 60.591 57.345 -0.451 0.000 1.271 161 W CB 0.486 29.506 29.460 -0.733 0.000 1.126 161 W HN -0.260 8.383 8.180 0.203 -0.341 0.535 162 Y N -2.643 117.455 120.300 -0.338 0.000 2.457 162 Y HA -0.260 nan 4.550 nan 0.000 0.292 162 Y C 0.297 175.693 175.900 -0.841 0.000 1.125 162 Y CA 2.961 60.673 58.100 -0.647 0.000 1.254 162 Y CB 0.150 38.341 38.460 -0.449 0.000 1.012 162 Y HN -0.147 8.502 8.280 -0.013 -0.377 0.555 163 G N -3.042 105.475 108.800 -0.471 0.000 2.157 163 G HA2 -0.357 nan 3.960 nan 0.000 0.248 163 G HA3 -0.357 nan 3.960 nan 0.000 0.248 163 G C 0.407 174.940 174.900 -0.612 0.000 0.979 163 G CA 0.736 45.541 45.100 -0.492 0.000 0.650 163 G HN -0.557 7.500 8.290 -0.277 0.066 0.529 164 F N 0.605 120.338 119.950 -0.362 0.000 2.325 164 F HA -0.136 nan 4.527 nan 0.000 0.299 164 F C 0.968 176.679 175.800 -0.149 0.000 1.090 164 F CA 0.170 57.883 58.000 -0.479 0.000 1.392 164 F CB 0.004 38.854 39.000 -0.249 0.000 1.053 164 F HN -0.398 7.588 8.300 -0.455 0.042 0.521 165 G N -2.621 106.226 108.800 0.077 0.000 2.645 165 G HA2 -0.449 nan 3.960 nan 0.000 0.239 165 G HA3 -0.449 nan 3.960 nan 0.000 0.239 165 G C -2.383 172.584 174.900 0.112 0.000 1.331 165 G CA -0.451 44.703 45.100 0.091 0.000 0.890 165 G HN -0.247 8.347 8.290 0.029 -0.286 0.572 166 A N 0.589 123.449 122.820 0.066 0.000 2.276 166 A HA 0.415 nan 4.320 nan 0.000 0.316 166 A C -0.097 177.448 177.584 -0.065 0.000 1.229 166 A CA -1.295 50.748 52.037 0.011 0.000 0.851 166 A CB 0.985 19.971 19.000 -0.023 0.000 1.165 166 A HN -0.319 8.126 8.150 0.058 -0.260 0.513 167 R N 1.422 121.799 120.500 -0.206 0.000 3.322 167 R HA -0.460 nan 4.340 nan 0.000 0.253 167 R C -0.924 175.335 176.300 -0.068 0.000 0.987 167 R CA 0.660 56.357 56.100 -0.671 0.000 0.666 167 R CB -2.514 27.063 30.300 -1.205 0.000 1.072 167 R HN 0.824 9.029 8.270 -0.108 0.000 0.447 168 A N -5.039 117.954 122.820 0.289 0.000 2.887 168 A HA -0.289 nan 4.320 nan 0.000 0.257 168 A C -0.195 177.616 177.584 0.377 0.000 1.372 168 A CA 1.080 53.409 52.037 0.487 0.000 0.879 168 A CB -1.370 17.918 19.000 0.480 0.000 1.082 168 A HN 0.384 8.693 8.150 0.286 0.013 0.703 169 D N -3.586 116.966 120.400 0.254 0.000 2.349 169 D HA -0.061 nan 4.640 nan 0.000 0.215 169 D C 1.695 178.141 176.300 0.243 0.000 1.016 169 D CA -0.418 53.697 54.000 0.192 0.000 0.870 169 D CB 0.415 41.270 40.800 0.092 0.000 0.917 169 D HN -0.516 7.831 8.370 0.191 0.137 0.524 170 G N -0.706 108.290 108.800 0.327 0.000 2.270 170 G HA2 -0.426 nan 3.960 nan 0.000 0.268 170 G HA3 -0.426 nan 3.960 nan 0.000 0.268 170 G C 0.491 175.437 174.900 0.076 0.000 0.982 170 G CA 1.134 46.373 45.100 0.232 0.000 0.628 170 G HN -0.159 8.302 8.290 0.365 0.048 0.544 171 T N -4.659 109.938 114.554 0.071 0.000 2.954 171 T HA 0.238 nan 4.350 nan 0.000 0.252 171 T C 0.662 175.375 174.700 0.020 0.000 0.983 171 T CA -0.557 61.562 62.100 0.031 0.000 0.941 171 T CB 1.562 70.450 68.868 0.034 0.000 1.141 171 T HN -0.316 8.123 8.240 0.095 -0.142 0.500 172 S N 4.108 119.825 115.700 0.028 0.000 2.603 172 S HA -0.011 nan 4.470 nan 0.000 0.268 172 S C -1.107 173.498 174.600 0.008 0.000 1.317 172 S CA 1.037 59.248 58.200 0.017 0.000 1.012 172 S CB 1.125 64.335 63.200 0.016 0.000 0.926 172 S HN -0.273 8.373 8.310 0.043 -0.310 0.539 173 K N -0.131 120.267 120.400 -0.003 0.000 2.422 173 K HA 0.506 nan 4.320 nan 0.000 0.251 173 K C -2.930 173.638 176.600 -0.053 0.000 0.933 173 K CA -3.242 53.027 56.287 -0.029 0.000 0.798 173 K CB 1.842 34.325 32.500 -0.028 0.000 1.238 173 K HN -0.145 8.107 8.250 0.003 0.000 0.428 174 P HA 0.301 nan 4.420 nan 0.000 0.279 174 P C -1.840 175.392 177.300 -0.113 0.000 1.276 174 P CA -1.172 61.841 63.100 -0.145 0.000 0.801 174 P CB 0.959 32.498 31.700 -0.268 0.000 1.127 175 S N -0.745 114.904 115.700 -0.084 0.000 2.552 175 S HA 0.264 nan 4.470 nan 0.000 0.314 175 S C -1.181 173.410 174.600 -0.014 0.000 1.099 175 S CA -1.569 56.625 58.200 -0.011 0.000 1.070 175 S CB 1.719 64.972 63.200 0.089 0.000 0.998 175 S HN 0.137 8.292 8.310 -0.069 0.113 0.474 176 Y N 7.220 127.551 120.300 0.053 0.000 2.496 176 Y HA 0.096 nan 4.550 nan 0.000 0.334 176 Y C -0.450 175.421 175.900 -0.049 0.000 1.080 176 Y CA 0.983 59.089 58.100 0.009 0.000 1.355 176 Y CB -0.363 38.111 38.460 0.023 0.000 1.193 176 Y HN 0.574 8.925 8.280 0.118 0.000 0.523 177 I N -0.135 120.503 120.570 0.113 0.000 3.145 177 I HA 0.739 nan 4.170 nan 0.000 0.313 177 I C -2.548 173.578 176.117 0.015 0.000 1.122 177 I CA -2.087 59.192 61.300 -0.035 0.000 0.987 177 I CB 4.471 42.450 38.000 -0.036 0.000 1.236 177 I HN -0.466 7.850 8.210 0.176 0.000 0.453 178 N N -0.523 118.122 118.700 -0.091 0.000 2.525 178 N HA 0.530 nan 4.740 nan 0.000 0.270 178 N C -1.720 173.719 175.510 -0.118 0.000 1.321 178 N CA -1.877 51.181 53.050 0.014 0.000 0.797 178 N CB 4.380 42.934 38.487 0.112 0.000 1.529 178 N HN 0.417 8.665 8.380 -0.220 0.000 0.491 179 T N -2.878 111.653 114.554 -0.039 0.000 3.400 179 T HA 0.262 nan 4.350 nan 0.000 0.228 179 T C 0.311 174.877 174.700 -0.223 0.000 0.992 179 T CA -0.188 61.778 62.100 -0.224 0.000 1.222 179 T CB 0.612 69.250 68.868 -0.383 0.000 1.236 179 T HN -0.065 8.294 8.240 0.198 0.000 0.357 180 F N 2.616 122.603 119.950 0.063 0.000 2.612 180 F HA -0.229 nan 4.527 nan 0.000 0.389 180 F C 0.326 176.019 175.800 -0.179 0.000 1.055 180 F CA 1.393 59.382 58.000 -0.018 0.000 1.232 180 F CB -0.228 38.827 39.000 0.091 0.000 1.044 180 F HN -0.035 8.137 8.300 -0.213 0.000 0.560 181 Q N 1.332 121.052 119.800 -0.132 0.000 1.925 181 Q HA 0.208 nan 4.340 nan 0.000 0.211 181 Q C 0.327 176.089 176.000 -0.397 0.000 0.698 181 Q CA 0.390 55.953 55.803 -0.400 0.000 0.840 181 Q CB 3.941 31.998 28.738 -1.134 0.000 1.218 181 Q HN 0.598 9.215 8.270 -0.053 -0.379 0.432 182 R N 0.375 120.641 120.500 -0.390 0.000 3.311 182 R HA 0.181 nan 4.340 nan 0.000 0.332 182 R C -0.918 175.136 176.300 -0.409 0.000 1.317 182 R CA -0.668 54.913 56.100 -0.864 0.000 1.192 182 R CB 0.524 30.389 30.300 -0.726 0.000 1.454 182 R HN -0.083 8.461 8.270 -0.188 -0.387 0.605 183 G N -0.584 108.137 108.800 -0.132 0.000 2.782 183 G HA2 -0.360 nan 3.960 nan 0.000 0.228 183 G HA3 -0.360 nan 3.960 nan 0.000 0.228 183 G C 0.921 175.834 174.900 0.022 0.000 1.372 183 G CA -0.487 44.622 45.100 0.015 0.000 0.862 183 G HN -0.503 7.702 8.290 -0.142 0.000 0.547 184 E N -0.079 120.086 120.200 -0.059 0.000 2.209 184 E HA -0.444 nan 4.350 nan 0.000 0.196 184 E C 1.330 177.985 176.600 0.091 0.000 0.993 184 E CA 2.884 59.244 56.400 -0.066 0.000 0.819 184 E CB -0.256 29.330 29.700 -0.190 0.000 0.745 184 E HN 0.537 8.851 8.360 -0.077 0.000 0.477 185 Q N -2.655 117.199 119.800 0.089 0.000 2.320 185 Q HA 0.035 nan 4.340 nan 0.000 0.201 185 Q C -0.514 175.566 176.000 0.133 0.000 0.910 185 Q CA -0.591 55.274 55.803 0.102 0.000 0.946 185 Q CB -0.136 28.649 28.738 0.079 0.000 1.062 185 Q HN -0.023 8.266 8.270 0.079 0.028 0.503 186 E N 1.184 121.482 120.200 0.164 0.000 1.963 186 E HA -0.061 nan 4.350 nan 0.000 0.274 186 E C -0.506 176.228 176.600 0.223 0.000 1.061 186 E CA -0.848 55.666 56.400 0.189 0.000 0.847 186 E CB 0.069 29.875 29.700 0.178 0.000 1.083 186 E HN -0.668 7.632 8.360 0.178 0.167 0.402 187 S N 5.442 121.266 115.700 0.205 0.000 2.641 187 S HA 0.129 nan 4.470 nan 0.000 0.261 187 S C 1.724 176.479 174.600 0.258 0.000 1.257 187 S CA -0.308 58.017 58.200 0.207 0.000 0.983 187 S CB 1.883 65.246 63.200 0.272 0.000 0.990 187 S HN -0.159 8.540 8.310 0.202 -0.268 0.572 188 T N 2.593 117.231 114.554 0.140 0.000 2.929 188 T HA -0.103 nan 4.350 nan 0.000 0.271 188 T C 1.753 176.343 174.700 -0.184 0.000 1.085 188 T CA 4.180 66.195 62.100 -0.142 0.000 1.125 188 T CB -0.559 68.084 68.868 -0.374 0.000 0.874 188 T HN 0.691 8.995 8.240 0.105 0.000 0.494 189 W N -0.821 120.510 121.300 0.052 0.000 2.905 189 W HA -0.020 nan 4.660 nan 0.000 0.251 189 W C 0.450 177.118 176.519 0.247 0.000 1.305 189 W CA 0.920 58.310 57.345 0.074 0.000 1.465 189 W CB 0.128 29.490 29.460 -0.163 0.000 1.122 189 W HN -0.716 7.497 8.180 0.130 0.045 0.659 190 E N -4.031 116.375 120.200 0.344 0.000 2.548 190 E HA 0.284 nan 4.350 nan 0.000 0.206 190 E C -0.632 176.085 176.600 0.194 0.000 1.005 190 E CA -0.603 55.961 56.400 0.272 0.000 0.951 190 E CB 1.136 30.980 29.700 0.240 0.000 1.035 190 E HN -0.410 7.935 8.360 0.276 0.180 0.470 191 T N -3.757 110.872 114.554 0.124 0.000 2.847 191 T HA 0.252 nan 4.350 nan 0.000 0.279 191 T C -0.704 174.029 174.700 0.055 0.000 0.984 191 T CA -1.643 60.480 62.100 0.039 0.000 0.988 191 T CB 1.392 70.167 68.868 -0.155 0.000 1.040 191 T HN -0.816 7.503 8.240 0.131 0.000 0.528 192 I N 0.099 120.715 120.570 0.077 0.000 2.495 192 I HA 0.313 nan 4.170 nan 0.000 0.277 192 I C -2.143 173.963 176.117 -0.018 0.000 1.045 192 I CA -3.011 58.345 61.300 0.092 0.000 1.135 192 I CB 1.847 39.965 38.000 0.195 0.000 1.241 192 I HN 0.348 8.621 8.210 0.104 0.000 0.469 193 P HA -0.037 nan 4.420 nan 0.000 0.262 193 P C -2.285 174.710 177.300 -0.509 0.000 1.182 193 P CA 0.171 63.028 63.100 -0.406 0.000 0.761 193 P CB 0.414 31.630 31.700 -0.807 0.000 0.795 194 Q N 3.504 122.918 119.800 -0.643 0.000 2.456 194 Q HA 0.566 nan 4.340 nan 0.000 0.283 194 Q C -2.739 172.660 176.000 -1.002 0.000 1.084 194 Q CA -3.086 52.040 55.803 -1.128 0.000 0.801 194 Q CB 1.956 30.264 28.738 -0.717 0.000 1.434 194 Q HN 0.606 8.589 8.270 -0.479 0.000 0.419 195 P HA 0.351 nan 4.420 nan 0.000 0.282 195 P C -0.246 176.871 177.300 -0.305 0.000 1.249 195 P CA -0.662 62.011 63.100 -0.712 0.000 0.806 195 P CB 1.642 32.955 31.700 -0.645 0.000 0.984 196 C N -0.710 118.475 119.300 -0.192 0.000 2.435 196 C HA -0.058 nan 4.460 nan 0.000 0.279 196 C C 0.239 175.147 174.990 -0.136 0.000 1.321 196 C CA 3.023 61.870 59.018 -0.285 0.000 1.752 196 C CB -0.099 27.355 27.740 -0.476 0.000 1.959 196 C HN 0.251 8.405 8.230 -0.127 0.000 0.500 197 W N -0.713 120.513 121.300 -0.124 0.000 2.288 197 W HA 0.122 nan 4.660 nan 0.000 0.325 197 W C -2.127 174.429 176.519 0.062 0.000 1.019 197 W CA -1.007 56.342 57.345 0.006 0.000 1.403 197 W CB 0.206 29.709 29.460 0.072 0.000 1.226 197 W HN -0.373 7.917 8.180 0.214 0.019 0.391 198 D N 8.975 129.362 120.400 -0.022 0.000 2.454 198 D HA 0.195 nan 4.640 nan 0.000 0.225 198 D C -1.070 175.243 176.300 0.020 0.000 1.081 198 D CA -0.959 53.111 54.000 0.117 0.000 0.864 198 D CB 1.150 42.073 40.800 0.205 0.000 1.040 198 D HN 0.332 8.605 8.370 -0.162 0.000 0.517 199 E N 4.562 124.815 120.200 0.089 0.000 2.465 199 E HA -0.001 nan 4.350 nan 0.000 0.195 199 E C -0.775 175.826 176.600 0.002 0.000 1.028 199 E CA -0.904 55.462 56.400 -0.056 0.000 0.899 199 E CB 0.076 29.829 29.700 0.088 0.000 1.032 199 E HN 0.502 9.010 8.360 0.246 0.000 0.468 200 H N -3.771 115.372 119.070 0.122 0.000 3.080 200 H HA -0.274 nan 4.556 nan 0.000 0.254 200 H C 0.482 175.806 175.328 -0.008 0.000 1.179 200 H CA 0.777 56.877 56.048 0.087 0.000 1.144 200 H CB -2.675 27.129 29.762 0.071 0.000 1.261 200 H HN 0.162 8.913 8.280 0.440 -0.207 0.333 201 K N -2.410 118.019 120.400 0.048 0.000 2.305 201 K HA -0.061 nan 4.320 nan 0.000 0.199 201 K C -0.308 175.986 176.600 -0.510 0.000 1.047 201 K CA 1.393 57.495 56.287 -0.307 0.000 0.976 201 K CB 0.406 32.581 32.500 -0.541 0.000 0.765 201 K HN 0.455 8.748 8.250 0.140 0.041 0.474 202 F N -3.663 116.449 119.950 0.270 0.000 2.611 202 F HA 0.364 nan 4.527 nan 0.000 0.324 202 F C 0.214 176.094 175.800 0.133 0.000 1.061 202 F CA -0.990 57.195 58.000 0.309 0.000 0.954 202 F CB 2.936 42.319 39.000 0.639 0.000 1.301 202 F HN -0.958 7.485 8.300 0.291 0.032 0.482 203 G N 0.933 109.796 108.800 0.106 0.000 2.554 203 G HA2 -0.336 nan 3.960 nan 0.000 0.253 203 G HA3 -0.336 nan 3.960 nan 0.000 0.253 203 G C -1.054 173.615 174.900 -0.384 0.000 1.172 203 G CA -0.305 44.468 45.100 -0.546 0.000 0.950 203 G HN 0.106 8.583 8.290 0.311 0.000 0.557 204 G N -0.067 108.433 108.800 -0.500 0.000 2.702 204 G HA2 0.395 nan 3.960 nan 0.000 0.254 204 G HA3 0.395 nan 3.960 nan 0.000 0.254 204 G C 0.128 174.711 174.900 -0.528 0.000 1.380 204 G CA -1.125 43.527 45.100 -0.747 0.000 1.042 204 G HN -0.071 7.875 8.290 -0.387 0.111 0.557 205 Q N 0.187 119.590 119.800 -0.662 0.000 2.152 205 Q HA -0.300 nan 4.340 nan 0.000 0.206 205 Q C 0.172 175.639 176.000 -0.888 0.000 0.985 205 Q CA 3.057 58.405 55.803 -0.759 0.000 0.863 205 Q CB 0.504 28.651 28.738 -0.984 0.000 0.904 205 Q HN 0.662 8.466 8.270 -0.776 0.000 0.422 206 Y N -3.116 116.966 120.300 -0.365 0.000 2.736 206 Y HA 0.170 nan 4.550 nan 0.000 0.293 206 Y C -0.610 174.968 175.900 -0.536 0.000 1.062 206 Y CA -1.773 55.886 58.100 -0.735 0.000 1.247 206 Y CB -1.113 37.073 38.460 -0.456 0.000 1.200 206 Y HN -0.545 7.406 8.280 -0.521 0.016 0.552 207 G N 0.926 109.640 108.800 -0.143 0.000 2.556 207 G HA2 -0.517 nan 3.960 nan 0.000 0.283 207 G HA3 -0.517 nan 3.960 nan 0.000 0.283 207 G C 0.083 175.039 174.900 0.093 0.000 1.177 207 G CA 1.361 46.539 45.100 0.129 0.000 0.978 207 G HN -0.215 7.813 8.290 -0.209 0.137 0.554 208 F N 1.560 121.657 119.950 0.245 0.000 2.682 208 F HA 0.388 nan 4.527 nan 0.000 0.308 208 F C 1.643 177.474 175.800 0.052 0.000 1.093 208 F CA -0.333 57.778 58.000 0.186 0.000 1.244 208 F CB 0.708 39.806 39.000 0.162 0.000 1.052 208 F HN -0.183 8.847 8.300 0.644 -0.344 0.573 209 L N 1.056 122.463 121.223 0.306 0.000 2.013 209 L HA -0.497 nan 4.340 nan 0.000 0.212 209 L C 0.943 177.888 176.870 0.124 0.000 1.073 209 L CA 3.951 58.936 54.840 0.243 0.000 0.753 209 L CB -0.930 41.264 42.059 0.225 0.000 0.890 209 L HN -0.894 7.472 8.230 0.323 0.058 0.432 210 D N -4.849 115.628 120.400 0.128 0.000 2.371 210 D HA -0.226 nan 4.640 nan 0.000 0.234 210 D C 1.135 177.378 176.300 -0.094 0.000 1.049 210 D CA 0.962 55.020 54.000 0.097 0.000 0.907 210 D CB -1.131 39.801 40.800 0.220 0.000 0.891 210 D HN 0.031 8.529 8.370 0.214 0.000 0.531 211 L N -3.177 117.765 121.223 -0.469 0.000 2.341 211 L HA -0.047 nan 4.340 nan 0.000 0.214 211 L C 0.621 177.112 176.870 -0.631 0.000 1.115 211 L CA 1.745 56.054 54.840 -0.886 0.000 0.820 211 L CB 0.544 41.670 42.059 -1.555 0.000 0.944 211 L HN -0.504 7.278 8.230 -0.442 0.182 0.452 212 F N -4.737 115.268 119.950 0.091 0.000 2.557 212 F HA 0.188 nan 4.527 nan 0.000 0.278 212 F C -0.164 175.759 175.800 0.205 0.000 1.051 212 F CA 0.126 58.227 58.000 0.168 0.000 1.357 212 F CB 2.070 41.127 39.000 0.095 0.000 1.104 212 F HN -0.607 7.363 8.300 -0.313 0.142 0.654 213 T N -4.704 110.007 114.554 0.261 0.000 2.900 213 T HA 0.496 nan 4.350 nan 0.000 0.295 213 T C -1.763 172.987 174.700 0.083 0.000 1.044 213 T CA -1.674 60.517 62.100 0.152 0.000 0.995 213 T CB 2.552 71.471 68.868 0.086 0.000 1.072 213 T HN -0.475 7.899 8.240 0.223 0.000 0.473 214 K N 1.992 122.422 120.400 0.049 0.000 2.376 214 K HA 0.365 nan 4.320 nan 0.000 0.257 214 K C -1.877 174.715 176.600 -0.014 0.000 0.939 214 K CA -0.976 55.323 56.287 0.021 0.000 0.809 214 K CB 2.749 35.268 32.500 0.033 0.000 1.121 214 K HN 0.464 8.645 8.250 0.047 0.096 0.425 215 D N 4.200 124.575 120.400 -0.042 0.000 2.621 215 D HA 0.251 nan 4.640 nan 0.000 0.255 215 D C 0.703 176.965 176.300 -0.064 0.000 1.122 215 D CA -1.212 52.748 54.000 -0.066 0.000 1.096 215 D CB 1.888 42.627 40.800 -0.102 0.000 1.282 215 D HN -0.023 8.319 8.370 -0.047 0.000 0.619 216 T N -2.916 111.596 114.554 -0.070 0.000 2.942 216 T HA 0.092 nan 4.350 nan 0.000 0.265 216 T C 0.749 175.408 174.700 -0.070 0.000 1.062 216 T CA 1.345 63.409 62.100 -0.059 0.000 1.139 216 T CB 0.068 68.903 68.868 -0.054 0.000 0.883 216 T HN 0.168 8.360 8.240 -0.080 0.000 0.468 217 G N 1.169 109.913 108.800 -0.094 0.000 3.008 217 G HA2 0.048 nan 3.960 nan 0.000 0.181 217 G HA3 0.048 nan 3.960 nan 0.000 0.181 217 G C -1.583 173.221 174.900 -0.160 0.000 1.309 217 G CA -0.422 44.616 45.100 -0.104 0.000 1.009 217 G HN -0.666 7.561 8.290 -0.105 0.000 0.584 218 T N 1.679 116.124 114.554 -0.182 0.000 2.832 218 T HA 0.298 nan 4.350 nan 0.000 0.296 218 T C -1.711 172.814 174.700 -0.292 0.000 0.968 218 T CA -1.190 60.710 62.100 -0.333 0.000 1.107 218 T CB 0.491 69.229 68.868 -0.216 0.000 0.916 218 T HN -0.314 7.849 8.240 -0.128 0.000 0.517 219 P HA -0.000 nan 4.420 nan 0.000 0.264 219 P C -1.825 175.543 177.300 0.114 0.000 1.193 219 P CA 0.001 63.020 63.100 -0.134 0.000 0.763 219 P CB 0.583 32.191 31.700 -0.152 0.000 0.810 220 A N 3.270 126.190 122.820 0.167 0.000 2.304 220 A HA 0.181 nan 4.320 nan 0.000 0.271 220 A C -0.790 176.939 177.584 0.241 0.000 1.091 220 A CA -1.209 50.969 52.037 0.234 0.000 0.812 220 A CB 1.155 20.343 19.000 0.313 0.000 1.056 220 A HN -0.008 8.209 8.150 0.113 0.000 0.489 221 K N 0.184 120.584 120.400 -0.001 0.000 2.368 221 K HA -0.036 nan 4.320 nan 0.000 0.282 221 K C -0.562 175.967 176.600 -0.119 0.000 1.035 221 K CA 0.825 56.979 56.287 -0.222 0.000 0.973 221 K CB 0.290 32.584 32.500 -0.342 0.000 0.957 221 K HN 0.318 8.566 8.250 -0.003 0.000 0.474 222 Q N 0.639 120.334 119.800 -0.175 0.000 2.575 222 Q HA 0.836 nan 4.340 nan 0.000 0.290 222 Q C -1.917 173.864 176.000 -0.365 0.000 0.963 222 Q CA -1.481 54.137 55.803 -0.309 0.000 0.783 222 Q CB 4.313 32.993 28.738 -0.095 0.000 1.467 222 Q HN 0.328 8.517 8.270 -0.135 0.000 0.402 223 F N -3.709 115.958 119.950 -0.471 0.000 2.556 223 F HA 0.915 nan 4.527 nan 0.000 0.327 223 F C -2.013 173.483 175.800 -0.507 0.000 1.059 223 F CA -2.489 55.218 58.000 -0.488 0.000 0.953 223 F CB 3.258 42.026 39.000 -0.386 0.000 1.227 223 F HN 0.592 8.284 8.300 -1.014 0.000 0.478 224 K N -2.901 117.112 120.400 -0.644 0.000 2.569 224 K HA 0.545 nan 4.320 nan 0.000 0.259 224 K C -2.411 173.523 176.600 -1.109 0.000 0.932 224 K CA -0.682 55.200 56.287 -0.674 0.000 0.833 224 K CB 2.535 34.972 32.500 -0.104 0.000 1.340 224 K HN 0.142 7.919 8.250 -0.789 0.000 0.429 225 Y N -0.586 119.302 120.300 -0.687 0.000 2.576 225 Y HA 0.327 nan 4.550 nan 0.000 0.346 225 Y C -1.537 174.155 175.900 -0.348 0.000 1.018 225 Y CA -1.242 56.449 58.100 -0.681 0.000 1.050 225 Y CB 5.206 42.860 38.460 -1.344 0.000 1.280 225 Y HN 0.940 8.546 8.280 -0.949 0.105 0.474 226 T N 2.949 117.680 114.554 0.294 0.000 2.879 226 T HA 0.393 nan 4.350 nan 0.000 0.290 226 T C -2.035 172.790 174.700 0.209 0.000 0.993 226 T CA -0.709 61.527 62.100 0.228 0.000 0.975 226 T CB 1.874 70.879 68.868 0.228 0.000 0.981 226 T HN 0.225 8.978 8.240 0.854 0.000 0.439 227 N N 4.775 123.523 118.700 0.080 0.000 2.515 227 N HA 0.434 nan 4.740 nan 0.000 0.279 227 N C -1.610 173.910 175.510 0.018 0.000 1.164 227 N CA -0.875 52.144 53.050 -0.051 0.000 0.982 227 N CB 2.534 40.622 38.487 -0.665 0.000 1.170 227 N HN 0.400 8.818 8.380 0.063 0.000 0.474 228 A N 3.174 126.012 122.820 0.030 0.000 2.508 228 A HA 0.542 nan 4.320 nan 0.000 0.336 228 A C -1.983 175.581 177.584 -0.034 0.000 1.360 228 A CA -3.577 48.434 52.037 -0.043 0.000 0.841 228 A CB -0.321 18.647 19.000 -0.052 0.000 1.136 228 A HN 0.324 8.507 8.150 0.054 0.000 0.489 229 P HA -0.327 nan 4.420 nan 0.000 0.217 229 P C 0.126 177.425 177.300 -0.002 0.000 1.148 229 P CA 2.588 65.776 63.100 0.146 0.000 0.834 229 P CB -0.008 31.875 31.700 0.305 0.000 0.783 230 D N -4.029 116.175 120.400 -0.327 0.000 2.178 230 D HA -0.288 nan 4.640 nan 0.000 0.201 230 D C 1.361 177.499 176.300 -0.269 0.000 0.980 230 D CA 2.583 56.341 54.000 -0.403 0.000 0.842 230 D CB -1.456 38.814 40.800 -0.883 0.000 0.948 230 D HN 0.217 8.217 8.370 -0.581 0.021 0.472 231 A N -0.044 122.639 122.820 -0.228 0.000 1.872 231 A HA -0.267 nan 4.320 nan 0.000 0.214 231 A C 2.090 179.636 177.584 -0.064 0.000 1.187 231 A CA 2.932 54.886 52.037 -0.139 0.000 0.614 231 A CB -0.305 18.657 19.000 -0.063 0.000 0.826 231 A HN -0.453 7.523 8.150 -0.259 0.019 0.442 232 D N -0.967 119.439 120.400 0.010 0.000 2.144 232 D HA -0.286 nan 4.640 nan 0.000 0.199 232 D C 2.242 178.595 176.300 0.089 0.000 0.984 232 D CA 3.414 57.468 54.000 0.089 0.000 0.834 232 D CB -0.429 40.480 40.800 0.182 0.000 0.955 232 D HN -0.626 7.752 8.370 0.014 0.000 0.465 233 A N -0.903 121.956 122.820 0.065 0.000 1.930 233 A HA -0.182 nan 4.320 nan 0.000 0.217 233 A C 1.656 179.208 177.584 -0.053 0.000 1.175 233 A CA 2.899 54.959 52.037 0.039 0.000 0.627 233 A CB -0.488 18.572 19.000 0.100 0.000 0.815 233 A HN -0.083 8.103 8.150 0.059 0.000 0.443 234 R N -0.737 119.684 120.500 -0.130 0.000 2.115 234 R HA -0.301 nan 4.340 nan 0.000 0.230 234 R C 1.836 178.017 176.300 -0.199 0.000 1.111 234 R CA 3.045 58.985 56.100 -0.267 0.000 0.976 234 R CB -0.096 29.967 30.300 -0.395 0.000 0.870 234 R HN -0.196 7.914 8.270 -0.126 0.084 0.445 235 A N -0.831 121.947 122.820 -0.069 0.000 1.933 235 A HA -0.229 nan 4.320 nan 0.000 0.218 235 A C 1.976 179.692 177.584 0.220 0.000 1.175 235 A CA 3.214 55.281 52.037 0.051 0.000 0.628 235 A CB -0.744 18.282 19.000 0.043 0.000 0.814 235 A HN -0.165 7.846 8.150 -0.060 0.103 0.444 236 V N -0.233 119.771 119.914 0.151 0.000 2.307 236 V HA -0.496 nan 4.120 nan 0.000 0.245 236 V C 1.806 177.915 176.094 0.025 0.000 1.045 236 V CA 4.479 66.857 62.300 0.129 0.000 1.024 236 V CB -0.909 30.903 31.823 -0.020 0.000 0.651 236 V HN -0.473 7.665 8.190 0.085 0.103 0.449 237 Q N -0.239 119.542 119.800 -0.032 0.000 2.096 237 Q HA -0.454 nan 4.340 nan 0.000 0.204 237 Q C 2.028 178.046 176.000 0.030 0.000 0.982 237 Q CA 3.614 59.426 55.803 0.016 0.000 0.850 237 Q CB -0.163 28.513 28.738 -0.103 0.000 0.901 237 Q HN -0.063 8.173 8.270 -0.057 0.000 0.422 238 A N -2.360 120.420 122.820 -0.067 0.000 1.930 238 A HA -0.243 nan 4.320 nan 0.000 0.217 238 A C 2.154 179.912 177.584 0.290 0.000 1.175 238 A CA 3.197 55.264 52.037 0.050 0.000 0.627 238 A CB -0.667 18.386 19.000 0.088 0.000 0.815 238 A HN 0.135 8.217 8.150 -0.113 0.000 0.443 239 T N 2.586 117.392 114.554 0.420 0.000 2.867 239 T HA -0.244 nan 4.350 nan 0.000 0.268 239 T C 1.582 176.432 174.700 0.250 0.000 1.057 239 T CA 4.513 66.946 62.100 0.556 0.000 1.136 239 T CB -0.579 68.746 68.868 0.762 0.000 0.874 239 T HN -0.460 7.930 8.240 0.381 0.079 0.466 240 Y N 2.686 122.916 120.300 -0.118 0.000 2.145 240 Y HA -0.484 nan 4.550 nan 0.000 0.286 240 Y C 0.833 176.437 175.900 -0.494 0.000 1.145 240 Y CA 3.952 61.757 58.100 -0.491 0.000 1.148 240 Y CB -0.181 37.773 38.460 -0.843 0.000 0.981 240 Y HN -0.352 7.961 8.280 0.084 0.018 0.507 241 W N -2.825 118.248 121.300 -0.379 0.000 2.388 241 W HA -0.449 nan 4.660 nan 0.000 0.294 241 W C 1.907 177.789 176.519 -1.062 0.000 1.212 241 W CA 3.028 59.781 57.345 -0.986 0.000 1.271 241 W CB -0.318 28.483 29.460 -1.099 0.000 1.126 241 W HN -0.565 7.523 8.180 -0.153 0.000 0.535 242 A N -1.574 121.020 122.820 -0.377 0.000 1.930 242 A HA -0.413 nan 4.320 nan 0.000 0.217 242 A C 1.690 179.056 177.584 -0.363 0.000 1.175 242 A CA 2.985 54.822 52.037 -0.333 0.000 0.627 242 A CB -1.028 17.332 19.000 -1.066 0.000 0.815 242 A HN -0.208 7.707 8.150 -0.239 0.092 0.443 243 D N -1.551 118.643 120.400 -0.344 0.000 2.097 243 D HA -0.288 nan 4.640 nan 0.000 0.197 243 D C 2.274 178.367 176.300 -0.345 0.000 0.984 243 D CA 3.227 57.048 54.000 -0.299 0.000 0.826 243 D CB 0.122 40.846 40.800 -0.128 0.000 0.973 243 D HN -0.136 7.970 8.370 -0.298 0.085 0.460 244 Q N -0.722 118.776 119.800 -0.504 0.000 2.061 244 Q HA -0.289 nan 4.340 nan 0.000 0.204 244 Q C 3.000 178.963 176.000 -0.060 0.000 0.984 244 Q CA 2.927 58.503 55.803 -0.377 0.000 0.846 244 Q CB -0.263 28.139 28.738 -0.560 0.000 0.902 244 Q HN -0.117 7.722 8.270 -0.718 0.000 0.421 245 W N -2.009 119.271 121.300 -0.032 0.000 2.402 245 W HA -0.171 nan 4.660 nan 0.000 0.286 245 W C 1.628 178.136 176.519 -0.018 0.000 1.221 245 W CA 1.204 58.575 57.345 0.043 0.000 1.257 245 W CB -1.215 28.332 29.460 0.145 0.000 1.120 245 W HN 0.217 8.247 8.180 -0.250 0.000 0.551 246 A N -1.650 121.065 122.820 -0.174 0.000 1.873 246 A HA -0.280 nan 4.320 nan 0.000 0.215 246 A C 1.928 179.380 177.584 -0.220 0.000 1.186 246 A CA 2.645 54.314 52.037 -0.614 0.000 0.616 246 A CB -0.491 17.862 19.000 -1.078 0.000 0.823 246 A HN -0.143 7.866 8.150 -0.235 0.000 0.442 247 K N -1.695 118.609 120.400 -0.160 0.000 2.147 247 K HA -0.308 nan 4.320 nan 0.000 0.205 247 K C 3.102 179.689 176.600 -0.020 0.000 1.049 247 K CA 3.413 59.646 56.287 -0.090 0.000 0.936 247 K CB -0.173 32.271 32.500 -0.094 0.000 0.722 247 K HN -0.216 7.921 8.250 -0.189 0.000 0.446 248 E N -0.945 119.274 120.200 0.032 0.000 2.409 248 E HA -0.204 nan 4.350 nan 0.000 0.198 248 E C 1.051 177.684 176.600 0.055 0.000 1.024 248 E CA 2.094 58.533 56.400 0.065 0.000 0.861 248 E CB -0.224 29.551 29.700 0.125 0.000 0.788 248 E HN -0.475 7.895 8.360 0.049 0.019 0.521 249 Q N -3.288 116.545 119.800 0.055 0.000 2.155 249 Q HA 0.238 nan 4.340 nan 0.000 0.220 249 Q C -0.134 175.888 176.000 0.038 0.000 0.819 249 Q CA -1.097 54.744 55.803 0.063 0.000 1.032 249 Q CB 0.521 29.336 28.738 0.127 0.000 1.151 249 Q HN -0.646 7.461 8.270 0.040 0.187 0.487 250 G N -1.356 107.448 108.800 0.006 0.000 2.168 250 G HA2 -0.422 nan 3.960 nan 0.000 0.257 250 G HA3 -0.422 nan 3.960 nan 0.000 0.257 250 G C -0.093 174.797 174.900 -0.017 0.000 0.997 250 G CA 0.828 45.923 45.100 -0.007 0.000 0.708 250 G HN -0.487 7.696 8.290 -0.001 0.106 0.520 251 K N -0.589 119.785 120.400 -0.043 0.000 2.245 251 K HA 0.387 nan 4.320 nan 0.000 0.234 251 K C -1.626 174.872 176.600 -0.170 0.000 1.021 251 K CA -1.900 54.344 56.287 -0.071 0.000 0.898 251 K CB 2.134 34.616 32.500 -0.031 0.000 1.163 251 K HN -0.115 8.053 8.250 -0.051 0.052 0.459 252 S N -1.533 114.066 115.700 -0.169 0.000 2.536 252 S HA 0.099 nan 4.470 nan 0.000 0.271 252 S C -1.035 173.476 174.600 -0.148 0.000 1.134 252 S CA -0.382 57.710 58.200 -0.179 0.000 0.897 252 S CB 0.919 64.053 63.200 -0.109 0.000 1.094 252 S HN -0.113 8.133 8.310 -0.106 0.000 0.473 253 V N -0.513 119.308 119.914 -0.156 0.000 2.778 253 V HA 0.479 nan 4.120 nan 0.000 0.356 253 V C 0.114 176.170 176.094 -0.063 0.000 1.283 253 V CA -1.918 60.367 62.300 -0.024 0.000 1.247 253 V CB -1.175 30.688 31.823 0.068 0.000 1.408 253 V HN 0.469 8.537 8.190 -0.202 0.000 0.620 254 S N 2.791 118.426 115.700 -0.108 0.000 2.365 254 S HA -0.410 nan 4.470 nan 0.000 0.225 254 S C 1.181 175.680 174.600 -0.168 0.000 1.039 254 S CA 3.736 61.845 58.200 -0.152 0.000 1.033 254 S CB -0.119 63.004 63.200 -0.129 0.000 0.887 254 S HN -0.279 7.898 8.310 -0.098 0.074 0.447 255 T N 1.047 115.529 114.554 -0.121 0.000 2.833 255 T HA -0.140 nan 4.350 nan 0.000 0.269 255 T C 2.369 176.930 174.700 -0.233 0.000 1.054 255 T CA 3.478 65.492 62.100 -0.142 0.000 1.135 255 T CB -0.834 67.986 68.868 -0.081 0.000 0.869 255 T HN 0.515 8.707 8.240 -0.080 0.000 0.466 256 S N 1.459 117.026 115.700 -0.221 0.000 2.406 256 S HA -0.127 nan 4.470 nan 0.000 0.228 256 S C 1.665 175.926 174.600 -0.566 0.000 1.020 256 S CA 3.480 61.386 58.200 -0.491 0.000 0.965 256 S CB -0.380 62.705 63.200 -0.190 0.000 0.798 256 S HN -0.585 7.582 8.310 -0.098 0.084 0.488 257 V N 1.986 121.696 119.914 -0.341 0.000 2.407 257 V HA -0.364 nan 4.120 nan 0.000 0.248 257 V C 1.838 177.630 176.094 -0.503 0.000 1.055 257 V CA 4.595 66.619 62.300 -0.460 0.000 1.049 257 V CB -0.849 30.627 31.823 -0.578 0.000 0.662 257 V HN -0.052 7.877 8.190 -0.247 0.113 0.455 258 G N -2.289 106.266 108.800 -0.408 0.000 2.408 258 G HA2 -0.344 nan 3.960 nan 0.000 0.217 258 G HA3 -0.344 nan 3.960 nan 0.000 0.217 258 G C 0.954 175.644 174.900 -0.350 0.000 1.150 258 G CA 2.089 46.991 45.100 -0.330 0.000 0.776 258 G HN -0.153 7.920 8.290 -0.363 0.000 0.542 259 K N 2.146 122.255 120.400 -0.485 0.000 2.062 259 K HA -0.266 nan 4.320 nan 0.000 0.205 259 K C 2.120 178.481 176.600 -0.399 0.000 1.051 259 K CA 2.934 58.917 56.287 -0.507 0.000 0.941 259 K CB -0.078 31.991 32.500 -0.719 0.000 0.719 259 K HN -0.704 7.114 8.250 -0.547 0.103 0.440 260 A N -1.164 121.323 122.820 -0.555 0.000 1.933 260 A HA -0.207 nan 4.320 nan 0.000 0.218 260 A C 2.226 179.866 177.584 0.092 0.000 1.175 260 A CA 3.238 55.260 52.037 -0.024 0.000 0.628 260 A CB -0.881 18.236 19.000 0.194 0.000 0.814 260 A HN -0.050 7.638 8.150 -0.770 0.000 0.444 261 T N 1.050 115.583 114.554 -0.035 0.000 2.777 261 T HA -0.334 nan 4.350 nan 0.000 0.266 261 T C 1.929 176.656 174.700 0.045 0.000 1.040 261 T CA 4.729 66.832 62.100 0.004 0.000 1.141 261 T CB -0.483 68.312 68.868 -0.120 0.000 0.868 261 T HN -0.105 8.013 8.240 -0.183 0.013 0.444 262 K N 1.958 122.343 120.400 -0.025 0.000 2.057 262 K HA -0.288 nan 4.320 nan 0.000 0.206 262 K C 1.677 178.385 176.600 0.180 0.000 1.050 262 K CA 3.140 59.380 56.287 -0.078 0.000 0.935 262 K CB -0.197 32.015 32.500 -0.480 0.000 0.715 262 K HN -0.487 7.695 8.250 -0.112 0.000 0.439 263 M N -0.651 119.146 119.600 0.329 0.000 2.108 263 M HA -0.346 nan 4.480 nan 0.000 0.261 263 M C 2.032 178.545 176.300 0.355 0.000 1.066 263 M CA 3.492 59.069 55.300 0.463 0.000 1.107 263 M CB 0.061 32.955 32.600 0.490 0.000 1.356 263 M HN -0.059 8.382 8.290 0.251 0.000 0.406 264 G N -3.237 105.715 108.800 0.253 0.000 2.443 264 G HA2 -0.353 nan 3.960 nan 0.000 0.219 264 G HA3 -0.353 nan 3.960 nan 0.000 0.219 264 G C 0.495 175.626 174.900 0.385 0.000 1.131 264 G CA 2.159 47.392 45.100 0.222 0.000 0.775 264 G HN 0.112 8.448 8.290 0.210 0.080 0.547 265 D N 2.282 122.837 120.400 0.259 0.000 2.103 265 D HA -0.141 nan 4.640 nan 0.000 0.199 265 D C 2.123 178.398 176.300 -0.042 0.000 0.978 265 D CA 2.752 56.844 54.000 0.152 0.000 0.829 265 D CB -0.025 40.833 40.800 0.096 0.000 0.981 265 D HN -0.825 7.537 8.370 0.218 0.139 0.464 266 Y N -0.659 119.665 120.300 0.041 0.000 2.373 266 Y HA -0.253 nan 4.550 nan 0.000 0.293 266 Y C 2.401 178.209 175.900 -0.153 0.000 1.129 266 Y CA 3.229 61.298 58.100 -0.052 0.000 1.226 266 Y CB 0.046 38.518 38.460 0.020 0.000 1.000 266 Y HN -0.477 7.982 8.280 0.298 0.000 0.549 267 L N -0.601 120.729 121.223 0.177 0.000 2.349 267 L HA -0.318 nan 4.340 nan 0.000 0.220 267 L C 1.303 178.006 176.870 -0.278 0.000 1.130 267 L CA 1.941 56.887 54.840 0.176 0.000 0.791 267 L CB -0.559 41.753 42.059 0.422 0.000 0.918 267 L HN -0.013 8.277 8.230 0.294 0.117 0.444 268 R N -1.302 118.865 120.500 -0.556 0.000 2.241 268 R HA -0.386 nan 4.340 nan 0.000 0.224 268 R C 2.657 178.510 176.300 -0.746 0.000 1.101 268 R CA 3.066 58.431 56.100 -1.225 0.000 0.995 268 R CB -0.587 29.224 30.300 -0.815 0.000 0.870 268 R HN -0.685 7.363 8.270 -0.293 0.045 0.463 269 Y N 0.238 120.236 120.300 -0.504 0.000 2.403 269 Y HA -0.314 nan 4.550 nan 0.000 0.291 269 Y C 1.568 177.407 175.900 -0.103 0.000 1.143 269 Y CA 2.196 60.101 58.100 -0.324 0.000 1.257 269 Y CB -0.636 37.381 38.460 -0.737 0.000 0.984 269 Y HN -0.098 7.695 8.280 -0.565 0.148 0.550 270 S N 0.278 115.991 115.700 0.022 0.000 2.561 270 S HA -0.186 nan 4.470 nan 0.000 0.225 270 S C 1.749 176.463 174.600 0.190 0.000 0.977 270 S CA 2.185 60.515 58.200 0.216 0.000 0.926 270 S CB -0.378 63.024 63.200 0.337 0.000 0.769 270 S HN -0.186 7.883 8.310 -0.166 0.142 0.533 271 F N 1.305 121.104 119.950 -0.252 0.000 2.748 271 F HA 0.013 nan 4.527 nan 0.000 0.299 271 F C -1.225 173.738 175.800 -1.396 0.000 1.154 271 F CA -0.417 57.123 58.000 -0.766 0.000 1.446 271 F CB -0.417 38.031 39.000 -0.920 0.000 1.112 271 F HN -0.204 7.785 8.300 -0.198 0.193 0.584 272 F N -1.606 118.045 119.950 -0.498 0.000 2.458 272 F HA 0.242 nan 4.527 nan 0.000 0.330 272 F C -1.358 174.171 175.800 -0.451 0.000 1.082 272 F CA -1.353 56.300 58.000 -0.577 0.000 0.995 272 F CB 2.340 40.971 39.000 -0.616 0.000 1.170 272 F HN -0.803 7.417 8.300 -0.026 0.064 0.478 273 D N 1.110 121.414 120.400 -0.160 0.000 2.449 273 D HA -0.144 nan 4.640 nan 0.000 0.236 273 D C 1.531 177.702 176.300 -0.214 0.000 1.149 273 D CA 1.259 55.235 54.000 -0.040 0.000 0.878 273 D CB 1.546 42.394 40.800 0.080 0.000 1.198 273 D HN -0.007 8.279 8.370 -0.139 0.000 0.446 274 K N 5.825 126.128 120.400 -0.160 0.000 2.049 274 K HA -0.394 nan 4.320 nan 0.000 0.219 274 K C 1.783 178.170 176.600 -0.356 0.000 1.056 274 K CA 3.224 59.327 56.287 -0.306 0.000 0.946 274 K CB 0.244 32.516 32.500 -0.380 0.000 0.723 274 K HN -0.053 8.198 8.250 -0.113 -0.069 0.453 275 Y N -5.044 115.398 120.300 0.237 0.000 2.708 275 Y HA 0.087 nan 4.550 nan 0.000 0.287 275 Y C -1.085 175.049 175.900 0.391 0.000 1.145 275 Y CA -2.147 56.168 58.100 0.357 0.000 1.249 275 Y CB -0.743 37.964 38.460 0.411 0.000 1.152 275 Y HN -0.709 7.927 8.280 0.298 -0.177 0.532 276 F N -2.515 117.579 119.950 0.241 0.000 3.067 276 F HA -0.544 nan 4.527 nan 0.000 0.279 276 F C -0.835 175.035 175.800 0.116 0.000 0.945 276 F CA 1.167 59.269 58.000 0.170 0.000 0.948 276 F CB -2.388 36.673 39.000 0.101 0.000 0.898 276 F HN 0.031 8.019 8.300 -0.186 0.201 0.746 277 R N -1.247 119.357 120.500 0.174 0.000 2.500 277 R HA 0.412 nan 4.340 nan 0.000 0.275 277 R C 0.030 176.369 176.300 0.066 0.000 1.051 277 R CA -1.979 54.137 56.100 0.026 0.000 1.088 277 R CB 0.830 30.988 30.300 -0.237 0.000 1.063 277 R HN -0.615 8.085 8.270 0.183 -0.321 0.511 278 K N 0.287 120.711 120.400 0.040 0.000 2.489 278 K HA -0.137 nan 4.320 nan 0.000 0.278 278 K C 0.791 177.432 176.600 0.069 0.000 1.000 278 K CA 0.913 57.236 56.287 0.060 0.000 1.012 278 K CB 0.159 32.685 32.500 0.044 0.000 0.903 278 K HN -0.134 8.119 8.250 0.006 0.000 0.485 279 I N 3.908 124.523 120.570 0.076 0.000 2.517 279 I HA -0.372 nan 4.170 nan 0.000 0.285 279 I C 1.310 177.485 176.117 0.095 0.000 1.106 279 I CA -0.206 61.151 61.300 0.094 0.000 1.402 279 I CB -2.548 35.496 38.000 0.074 0.000 1.399 279 I HN 0.050 8.299 8.210 0.066 0.000 0.535 280 G N 9.172 118.038 108.800 0.109 0.000 2.176 280 G HA2 -0.349 nan 3.960 nan 0.000 0.253 280 G HA3 -0.349 nan 3.960 nan 0.000 0.253 280 G C -0.578 174.363 174.900 0.069 0.000 0.979 280 G CA 0.058 45.213 45.100 0.092 0.000 0.641 280 G HN 0.813 9.584 8.290 0.132 -0.402 0.530 281 Q N -1.237 118.601 119.800 0.063 0.000 3.316 281 Q HA 0.340 nan 4.340 nan 0.000 0.295 281 Q C -2.083 173.926 176.000 0.015 0.000 0.805 281 Q CA -3.304 52.521 55.803 0.037 0.000 0.914 281 Q CB 0.823 29.576 28.738 0.024 0.000 1.514 281 Q HN -0.613 7.622 8.270 0.072 0.078 0.387 282 P HA -0.204 nan 4.420 nan 0.000 0.220 282 P C 0.540 177.716 177.300 -0.208 0.000 1.144 282 P CA 2.249 65.331 63.100 -0.030 0.000 0.800 282 P CB -0.094 31.745 31.700 0.231 0.000 0.772 283 S N -5.602 110.040 115.700 -0.096 0.000 2.527 283 S HA -0.154 nan 4.470 nan 0.000 0.222 283 S C 0.349 174.871 174.600 -0.130 0.000 0.985 283 S CA 0.516 58.645 58.200 -0.118 0.000 0.921 283 S CB -0.255 62.916 63.200 -0.048 0.000 0.772 283 S HN -0.191 8.053 8.310 -0.033 0.046 0.529 284 Q N 1.668 121.406 119.800 -0.103 0.000 2.241 284 Q HA 0.159 nan 4.340 nan 0.000 0.254 284 Q C -1.405 174.553 176.000 -0.070 0.000 0.917 284 Q CA -1.055 54.706 55.803 -0.071 0.000 0.919 284 Q CB 1.995 30.715 28.738 -0.031 0.000 1.237 284 Q HN -0.576 7.588 8.270 -0.089 0.053 0.434 285 A N 2.935 125.727 122.820 -0.047 0.000 2.425 285 A HA 0.308 nan 4.320 nan 0.000 0.249 285 A C -0.247 177.354 177.584 0.028 0.000 1.084 285 A CA -0.190 51.842 52.037 -0.009 0.000 0.781 285 A CB 0.365 19.362 19.000 -0.006 0.000 1.019 285 A HN 0.388 8.509 8.150 -0.048 0.000 0.490 286 G N 0.390 109.237 108.800 0.079 0.000 2.539 286 G HA2 0.045 nan 3.960 nan 0.000 0.258 286 G HA3 0.045 nan 3.960 nan 0.000 0.258 286 G C 0.117 175.058 174.900 0.069 0.000 1.202 286 G CA -0.539 44.620 45.100 0.098 0.000 0.851 286 G HN -0.170 8.188 8.290 0.115 0.000 0.556 287 T N -3.737 110.858 114.554 0.067 0.000 3.054 287 T HA 0.298 nan 4.350 nan 0.000 0.255 287 T C 0.191 174.916 174.700 0.042 0.000 1.035 287 T CA -1.282 60.842 62.100 0.041 0.000 0.941 287 T CB 0.555 69.448 68.868 0.041 0.000 1.026 287 T HN 0.118 8.913 8.240 0.083 -0.505 0.533 288 G N 1.799 110.642 108.800 0.072 0.000 2.104 288 G HA2 -0.066 nan 3.960 nan 0.000 0.055 288 G HA3 -0.066 nan 3.960 nan 0.000 0.055 288 G C -0.634 174.356 174.900 0.150 0.000 0.815 288 G CA 0.373 45.498 45.100 0.042 0.000 1.125 288 G HN -0.505 7.935 8.290 0.110 -0.084 0.379 289 Y N 4.311 124.727 120.300 0.194 0.000 2.571 289 Y HA -0.121 nan 4.550 nan 0.000 0.294 289 Y C 0.970 176.914 175.900 0.073 0.000 1.141 289 Y CA 2.277 60.482 58.100 0.175 0.000 1.308 289 Y CB -0.129 38.414 38.460 0.138 0.000 1.002 289 Y HN 0.346 8.834 8.280 0.347 0.000 0.551 290 D N -0.951 119.581 120.400 0.220 0.000 2.378 290 D HA -0.276 nan 4.640 nan 0.000 0.222 290 D C 0.435 176.794 176.300 0.098 0.000 0.980 290 D CA 1.498 55.579 54.000 0.135 0.000 0.907 290 D CB -1.625 39.241 40.800 0.110 0.000 0.899 290 D HN 0.256 8.711 8.370 0.218 0.046 0.527 291 A N -2.840 120.065 122.820 0.142 0.000 2.308 291 A HA 0.273 nan 4.320 nan 0.000 0.217 291 A C -1.593 175.952 177.584 -0.065 0.000 1.216 291 A CA -0.641 51.483 52.037 0.145 0.000 0.864 291 A CB 0.119 19.325 19.000 0.342 0.000 0.902 291 A HN -0.463 7.743 8.150 0.215 0.072 0.499 292 A N -1.616 120.981 122.820 -0.372 0.000 2.260 292 A HA 0.409 nan 4.320 nan 0.000 0.308 292 A C -0.321 176.755 177.584 -0.847 0.000 1.254 292 A CA -0.773 50.605 52.037 -1.098 0.000 0.874 292 A CB 0.548 18.559 19.000 -1.648 0.000 1.153 292 A HN -0.556 7.298 8.150 -0.190 0.182 0.527 293 H N 1.556 120.293 119.070 -0.555 0.000 2.563 293 H HA -0.003 nan 4.556 nan 0.000 0.264 293 H C 0.476 175.601 175.328 -0.337 0.000 0.957 293 H CA -1.166 54.678 56.048 -0.340 0.000 1.173 293 H CB 0.063 29.691 29.762 -0.224 0.000 1.420 293 H HN 0.531 7.920 8.280 -1.485 0.000 0.551 294 Y N -6.040 113.912 120.300 -0.580 0.000 4.409 294 Y HA -0.505 nan 4.550 nan 0.000 0.228 294 Y C -1.394 174.065 175.900 -0.735 0.000 1.108 294 Y CA 1.742 59.308 58.100 -0.891 0.000 1.955 294 Y CB -3.203 34.820 38.460 -0.727 0.000 1.615 294 Y HN -0.564 6.956 8.280 -1.188 0.047 0.665 295 L N -4.100 117.090 121.223 -0.055 0.000 2.313 295 L HA 0.325 nan 4.340 nan 0.000 0.268 295 L C -0.427 176.577 176.870 0.223 0.000 1.010 295 L CA -2.754 52.065 54.840 -0.035 0.000 0.814 295 L CB 2.748 44.642 42.059 -0.275 0.000 1.304 295 L HN -0.670 7.780 8.230 0.438 0.043 0.441 296 L N 2.756 124.127 121.223 0.245 0.000 2.385 296 L HA 0.045 nan 4.340 nan 0.000 0.285 296 L C -0.580 176.453 176.870 0.273 0.000 1.125 296 L CA -0.422 54.636 54.840 0.364 0.000 0.890 296 L CB -1.777 40.514 42.059 0.386 0.000 1.251 296 L HN 0.062 8.718 8.230 0.176 -0.321 0.445 297 S N 4.283 120.139 115.700 0.260 0.000 2.633 297 S HA 0.021 nan 4.470 nan 0.000 0.257 297 S C -0.071 174.608 174.600 0.131 0.000 1.265 297 S CA -0.140 58.122 58.200 0.104 0.000 0.980 297 S CB 1.021 64.255 63.200 0.056 0.000 1.017 297 S HN -0.358 8.167 8.310 0.358 0.000 0.577 298 W N 0.862 122.022 121.300 -0.232 0.000 2.392 298 W HA -0.266 nan 4.660 nan 0.000 0.279 298 W C -1.775 174.831 176.519 0.145 0.000 1.225 298 W CA 2.780 59.997 57.345 -0.213 0.000 1.233 298 W CB 1.261 30.588 29.460 -0.222 0.000 1.122 298 W HN -0.173 8.042 8.180 0.057 0.000 0.561 299 Y N -11.177 109.280 120.300 0.263 0.000 2.851 299 Y HA -0.051 nan 4.550 nan 0.000 0.359 299 Y C -2.814 173.276 175.900 0.316 0.000 1.231 299 Y CA -1.851 56.376 58.100 0.211 0.000 1.106 299 Y CB 0.897 39.452 38.460 0.159 0.000 1.409 299 Y HN -0.976 7.141 8.280 -0.219 0.031 0.454 300 Y N -3.422 117.170 120.300 0.486 0.000 2.504 300 Y HA 0.428 nan 4.550 nan 0.000 0.344 300 Y C -2.479 173.755 175.900 0.557 0.000 1.023 300 Y CA -2.208 56.149 58.100 0.428 0.000 1.020 300 Y CB 3.016 41.663 38.460 0.312 0.000 1.282 300 Y HN -0.317 8.175 8.280 0.353 0.000 0.454 301 A N 1.274 124.504 122.820 0.682 0.000 2.515 301 A HA 0.918 nan 4.320 nan 0.000 0.296 301 A C -3.044 174.845 177.584 0.508 0.000 1.094 301 A CA -1.277 51.097 52.037 0.562 0.000 0.718 301 A CB 3.442 22.721 19.000 0.464 0.000 1.307 301 A HN 0.656 9.212 8.150 0.678 0.000 0.408 302 W N -2.648 118.495 121.300 -0.261 0.000 3.137 302 W HA 0.708 nan 4.660 nan 0.000 0.324 302 W C -2.386 173.425 176.519 -1.180 0.000 1.253 302 W CA -1.136 55.689 57.345 -0.866 0.000 1.183 302 W CB 2.695 31.924 29.460 -0.385 0.000 1.424 302 W HN 0.674 8.778 8.180 -0.126 0.000 0.566 303 G N -2.841 104.955 108.800 -1.673 0.000 2.489 303 G HA2 0.744 nan 3.960 nan 0.000 0.305 303 G HA3 0.744 nan 3.960 nan 0.000 0.305 303 G C -2.852 171.187 174.900 -1.436 0.000 1.311 303 G CA -0.029 44.226 45.100 -1.408 0.000 0.813 303 G HN 0.167 7.404 8.290 -1.755 0.000 0.480 304 G N -3.367 104.323 108.800 -1.849 0.000 2.342 304 G HA2 0.337 nan 3.960 nan 0.000 0.297 304 G HA3 0.337 nan 3.960 nan 0.000 0.297 304 G C -2.278 171.470 174.900 -1.920 0.000 1.313 304 G CA 0.530 44.612 45.100 -1.696 0.000 0.830 304 G HN 0.024 7.046 8.290 -2.114 0.000 0.506 305 G N -2.534 105.050 108.800 -2.026 0.000 2.467 305 G HA2 0.430 nan 3.960 nan 0.000 0.257 305 G HA3 0.430 nan 3.960 nan 0.000 0.257 305 G C 0.003 174.647 174.900 -0.425 0.000 1.227 305 G CA -0.862 43.556 45.100 -1.136 0.000 0.835 305 G HN -0.208 6.728 8.290 -2.256 0.000 0.556 306 I N 3.350 123.748 120.570 -0.286 0.000 2.556 306 I HA -0.164 nan 4.170 nan 0.000 0.251 306 I C 0.226 176.303 176.117 -0.067 0.000 1.105 306 I CA 2.581 63.736 61.300 -0.241 0.000 1.436 306 I CB 0.657 38.362 38.000 -0.492 0.000 1.139 306 I HN 0.510 8.469 8.210 -0.256 0.097 0.438 307 D N -2.276 118.105 120.400 -0.032 0.000 2.398 307 D HA 0.030 nan 4.640 nan 0.000 0.210 307 D C -0.316 176.031 176.300 0.078 0.000 1.094 307 D CA 0.196 54.216 54.000 0.034 0.000 0.839 307 D CB 0.285 41.102 40.800 0.029 0.000 0.963 307 D HN 0.054 8.396 8.370 -0.047 0.000 0.506 308 S N -1.328 114.436 115.700 0.106 0.000 2.541 308 S HA 0.167 nan 4.470 nan 0.000 0.271 308 S C -1.186 173.508 174.600 0.155 0.000 1.133 308 S CA -1.243 57.071 58.200 0.190 0.000 0.876 308 S CB 2.485 65.864 63.200 0.298 0.000 1.105 308 S HN -0.822 7.474 8.310 0.059 0.050 0.470 309 T N -2.299 112.369 114.554 0.191 0.000 2.733 309 T HA 0.447 nan 4.350 nan 0.000 0.294 309 T C -1.598 173.271 174.700 0.283 0.000 0.956 309 T CA -1.219 60.956 62.100 0.126 0.000 0.987 309 T CB 0.037 68.973 68.868 0.114 0.000 0.920 309 T HN 0.201 8.560 8.240 0.200 0.000 0.470 310 W N 2.675 124.031 121.300 0.093 0.000 3.064 310 W HA 0.242 nan 4.660 nan 0.000 0.328 310 W C -3.092 173.499 176.519 0.121 0.000 1.210 310 W CA -1.284 56.124 57.345 0.105 0.000 1.178 310 W CB 1.052 30.566 29.460 0.089 0.000 1.416 310 W HN -0.072 7.933 8.180 -0.292 0.000 0.568 311 S N -2.134 113.817 115.700 0.419 0.000 2.611 311 S HA 0.669 nan 4.470 nan 0.000 0.268 311 S C -1.945 172.992 174.600 0.561 0.000 1.156 311 S CA -0.383 57.967 58.200 0.250 0.000 0.817 311 S CB 2.675 65.940 63.200 0.109 0.000 1.122 311 S HN 0.090 8.719 8.310 0.532 0.000 0.466 312 W N -4.122 117.409 121.300 0.385 0.000 3.137 312 W HA 0.691 nan 4.660 nan 0.000 0.324 312 W C -2.915 173.834 176.519 0.384 0.000 1.253 312 W CA -1.083 56.533 57.345 0.451 0.000 1.183 312 W CB 2.434 32.114 29.460 0.367 0.000 1.424 312 W HN 0.386 8.372 8.180 -0.323 0.000 0.566 313 I N 0.512 121.492 120.570 0.683 0.000 2.692 313 I HA 0.754 nan 4.170 nan 0.000 0.293 313 I C -1.367 175.115 176.117 0.608 0.000 1.200 313 I CA -0.713 60.812 61.300 0.375 0.000 1.036 313 I CB 3.677 41.573 38.000 -0.173 0.000 1.258 313 I HN -0.159 8.578 8.210 0.878 0.000 0.421 314 I N -0.501 120.401 120.570 0.553 0.000 2.828 314 I HA 0.698 nan 4.170 nan 0.000 0.302 314 I C -1.481 174.806 176.117 0.282 0.000 1.101 314 I CA -2.591 58.945 61.300 0.392 0.000 1.031 314 I CB 3.707 41.870 38.000 0.272 0.000 1.231 314 I HN 0.713 9.255 8.210 0.554 0.000 0.427 315 G N 2.372 111.189 108.800 0.027 0.000 2.882 315 G HA2 0.543 nan 3.960 nan 0.000 0.164 315 G HA3 0.543 nan 3.960 nan 0.000 0.164 315 G C -1.338 173.493 174.900 -0.114 0.000 1.429 315 G CA -1.610 43.506 45.100 0.027 0.000 1.059 315 G HN -0.213 7.979 8.290 -0.163 0.000 0.581 316 S N -1.042 114.530 115.700 -0.214 0.000 2.546 316 S HA 0.278 nan 4.470 nan 0.000 0.272 316 S C -0.213 174.227 174.600 -0.267 0.000 1.140 316 S CA -0.912 57.003 58.200 -0.475 0.000 0.920 316 S CB 2.127 64.782 63.200 -0.909 0.000 1.083 316 S HN -0.132 8.135 8.310 -0.071 0.000 0.476 317 S N 5.937 121.376 115.700 -0.435 0.000 2.528 317 S HA 0.084 nan 4.470 nan 0.000 0.219 317 S C -0.103 174.263 174.600 -0.391 0.000 0.985 317 S CA 1.601 59.591 58.200 -0.350 0.000 0.914 317 S CB 0.615 63.585 63.200 -0.383 0.000 0.776 317 S HN 0.640 8.591 8.310 -0.600 0.000 0.526 318 H N 1.697 120.627 119.070 -0.233 0.000 2.489 318 H HA 0.302 nan 4.556 nan 0.000 0.322 318 H C -1.675 173.526 175.328 -0.212 0.000 1.091 318 H CA -1.061 54.841 56.048 -0.244 0.000 1.291 318 H CB 0.329 29.899 29.762 -0.319 0.000 1.436 318 H HN -0.780 7.093 8.280 -0.601 0.046 0.480 319 N N 2.547 121.215 118.700 -0.054 0.000 2.258 319 N HA 0.406 nan 4.740 nan 0.000 0.299 319 N C -2.131 173.490 175.510 0.184 0.000 1.047 319 N CA -0.574 52.456 53.050 -0.035 0.000 0.814 319 N CB 3.338 41.635 38.487 -0.318 0.000 1.413 319 N HN 0.413 8.781 8.380 -0.019 0.000 0.478 320 H N 4.023 123.168 119.070 0.125 0.000 2.538 320 H HA 0.420 nan 4.556 nan 0.000 0.353 320 H C 0.856 176.298 175.328 0.191 0.000 1.109 320 H CA -1.301 54.834 56.048 0.146 0.000 1.192 320 H CB 3.261 33.090 29.762 0.111 0.000 1.555 320 H HN 0.366 8.780 8.280 0.223 0.000 0.518 321 F N 6.829 126.943 119.950 0.273 0.000 2.216 321 F HA -0.174 nan 4.527 nan 0.000 0.300 321 F C 0.854 176.772 175.800 0.197 0.000 1.085 321 F CA 2.041 60.060 58.000 0.031 0.000 1.326 321 F CB -0.347 38.428 39.000 -0.375 0.000 1.027 321 F HN 0.525 8.998 8.300 0.287 0.000 0.497 322 G N -1.138 107.174 108.800 -0.814 0.000 2.498 322 G HA2 -0.332 nan 3.960 nan 0.000 0.219 322 G HA3 -0.332 nan 3.960 nan 0.000 0.219 322 G C 0.331 175.209 174.900 -0.038 0.000 1.119 322 G CA 1.977 46.663 45.100 -0.689 0.000 0.766 322 G HN 0.012 8.232 8.290 -0.091 0.016 0.552 323 Y N -1.861 118.349 120.300 -0.151 0.000 2.510 323 Y HA 0.076 nan 4.550 nan 0.000 0.273 323 Y C -0.353 175.574 175.900 0.045 0.000 1.119 323 Y CA -0.389 57.678 58.100 -0.056 0.000 1.286 323 Y CB 0.238 38.672 38.460 -0.044 0.000 1.061 323 Y HN -0.794 7.585 8.280 0.245 0.048 0.542 324 Q N -2.575 117.354 119.800 0.215 0.000 2.432 324 Q HA -0.059 nan 4.340 nan 0.000 0.264 324 Q C -0.824 175.350 176.000 0.290 0.000 1.035 324 Q CA -0.115 55.838 55.803 0.251 0.000 0.908 324 Q CB 0.611 29.456 28.738 0.178 0.000 1.280 324 Q HN -0.775 7.478 8.270 0.155 0.110 0.455 325 N N 1.114 120.002 118.700 0.314 0.000 2.710 325 N HA 0.390 nan 4.740 nan 0.000 0.244 325 N C -2.189 173.487 175.510 0.277 0.000 1.321 325 N CA -2.324 50.881 53.050 0.259 0.000 0.758 325 N CB 1.201 39.788 38.487 0.166 0.000 1.284 325 N HN -0.128 8.648 8.380 0.345 -0.189 0.530 326 P HA -0.107 nan 4.420 nan 0.000 0.220 326 P C 0.643 178.055 177.300 0.188 0.000 1.148 326 P CA 1.809 65.051 63.100 0.237 0.000 0.803 326 P CB 0.250 32.055 31.700 0.175 0.000 0.782 327 F N -0.825 119.146 119.950 0.036 0.000 2.113 327 F HA -0.362 nan 4.527 nan 0.000 0.297 327 F C 0.516 176.280 175.800 -0.060 0.000 1.103 327 F CA 3.335 61.326 58.000 -0.015 0.000 1.248 327 F CB -0.063 38.891 39.000 -0.077 0.000 0.999 327 F HN -0.664 7.865 8.300 0.295 -0.052 0.475 328 A N -1.535 121.263 122.820 -0.037 0.000 1.933 328 A HA -0.433 nan 4.320 nan 0.000 0.218 328 A C 1.662 178.988 177.584 -0.430 0.000 1.175 328 A CA 3.167 55.039 52.037 -0.275 0.000 0.628 328 A CB -1.113 17.781 19.000 -0.177 0.000 0.814 328 A HN -0.102 8.449 8.150 0.141 -0.317 0.444 329 A N -1.959 120.777 122.820 -0.141 0.000 1.933 329 A HA -0.219 nan 4.320 nan 0.000 0.218 329 A C 1.544 179.093 177.584 -0.058 0.000 1.175 329 A CA 2.695 54.762 52.037 0.050 0.000 0.628 329 A CB -0.714 18.538 19.000 0.420 0.000 0.814 329 A HN -0.320 7.843 8.150 0.034 0.007 0.444 330 W N -0.544 120.575 121.300 -0.302 0.000 2.379 330 W HA -0.401 nan 4.660 nan 0.000 0.307 330 W C 1.800 178.006 176.519 -0.522 0.000 1.200 330 W CA 4.370 61.491 57.345 -0.373 0.000 1.297 330 W CB 0.169 29.362 29.460 -0.445 0.000 1.140 330 W HN -0.290 7.785 8.180 0.010 0.111 0.507 331 V N 0.298 119.669 119.914 -0.905 0.000 2.255 331 V HA -0.586 nan 4.120 nan 0.000 0.247 331 V C 2.078 177.705 176.094 -0.777 0.000 1.051 331 V CA 4.962 66.565 62.300 -1.162 0.000 1.018 331 V CB -0.835 30.263 31.823 -1.208 0.000 0.641 331 V HN 0.161 7.917 8.190 -0.724 0.000 0.445 332 L N -4.163 116.679 121.223 -0.634 0.000 2.275 332 L HA -0.270 nan 4.340 nan 0.000 0.215 332 L C 1.369 178.077 176.870 -0.270 0.000 1.119 332 L CA 2.619 57.179 54.840 -0.466 0.000 0.790 332 L CB -0.157 41.390 42.059 -0.853 0.000 0.919 332 L HN 0.110 7.924 8.230 -0.694 0.000 0.443 333 S N -4.492 111.049 115.700 -0.265 0.000 2.503 333 S HA 0.020 nan 4.470 nan 0.000 0.215 333 S C 0.762 175.214 174.600 -0.246 0.000 1.003 333 S CA 1.789 59.909 58.200 -0.134 0.000 0.910 333 S CB 1.248 64.442 63.200 -0.009 0.000 0.790 333 S HN -0.471 7.485 8.310 -0.370 0.131 0.514 334 T N -3.863 110.407 114.554 -0.474 0.000 2.989 334 T HA 0.158 nan 4.350 nan 0.000 0.250 334 T C -0.112 174.315 174.700 -0.455 0.000 0.981 334 T CA -0.112 61.693 62.100 -0.490 0.000 0.980 334 T CB 1.286 69.744 68.868 -0.684 0.000 1.133 334 T HN -0.357 7.505 8.240 -0.630 0.000 0.489 335 D N 3.795 123.869 120.400 -0.544 0.000 2.343 335 D HA 0.021 nan 4.640 nan 0.000 0.255 335 D C 0.868 177.089 176.300 -0.132 0.000 1.187 335 D CA 0.015 53.824 54.000 -0.319 0.000 0.875 335 D CB 1.314 41.936 40.800 -0.296 0.000 1.136 335 D HN -0.392 7.558 8.370 -0.701 0.000 0.469 336 A N 6.825 129.583 122.820 -0.103 0.000 2.024 336 A HA -0.234 nan 4.320 nan 0.000 0.220 336 A C 1.957 179.495 177.584 -0.076 0.000 1.164 336 A CA 2.630 54.617 52.037 -0.082 0.000 0.643 336 A CB -0.192 18.762 19.000 -0.078 0.000 0.806 336 A HN 0.699 8.782 8.150 -0.112 0.000 0.451 337 N N -2.236 116.434 118.700 -0.051 0.000 2.396 337 N HA -0.212 nan 4.740 nan 0.000 0.180 337 N C 0.515 175.840 175.510 -0.308 0.000 1.028 337 N CA 1.894 54.850 53.050 -0.156 0.000 0.893 337 N CB 0.297 38.693 38.487 -0.152 0.000 0.967 337 N HN -0.337 8.214 8.380 -0.008 -0.175 0.440 338 F N -3.497 116.353 119.950 -0.167 0.000 2.684 338 F HA 0.073 nan 4.527 nan 0.000 0.298 338 F C -0.626 175.073 175.800 -0.169 0.000 1.120 338 F CA -0.888 57.007 58.000 -0.175 0.000 1.332 338 F CB 0.650 39.521 39.000 -0.216 0.000 0.986 338 F HN -0.758 7.585 8.300 0.167 0.056 0.524 339 K N 2.245 122.624 120.400 -0.036 0.000 2.383 339 K HA 0.096 nan 4.320 nan 0.000 0.286 339 K C -2.027 174.557 176.600 -0.026 0.000 1.051 339 K CA -1.754 54.509 56.287 -0.040 0.000 0.974 339 K CB 0.413 32.879 32.500 -0.058 0.000 0.968 339 K HN -0.820 7.327 8.250 -0.067 0.063 0.475 340 P HA 0.005 nan 4.420 nan 0.000 0.268 340 P C -1.007 176.297 177.300 0.007 0.000 1.205 340 P CA -0.265 62.867 63.100 0.053 0.000 0.771 340 P CB 0.753 32.525 31.700 0.120 0.000 0.858 341 K N 1.801 122.195 120.400 -0.011 0.000 2.147 341 K HA -0.213 nan 4.320 nan 0.000 0.205 341 K C 0.618 177.113 176.600 -0.175 0.000 1.049 341 K CA 1.702 57.905 56.287 -0.141 0.000 0.936 341 K CB 0.092 32.411 32.500 -0.302 0.000 0.722 341 K HN 0.120 8.419 8.250 0.082 0.000 0.446 342 S N -0.472 115.145 115.700 -0.139 0.000 2.569 342 S HA -0.047 nan 4.470 nan 0.000 0.274 342 S C 0.924 175.485 174.600 -0.064 0.000 1.353 342 S CA 0.120 58.247 58.200 -0.121 0.000 1.023 342 S CB 1.649 64.806 63.200 -0.071 0.000 0.876 342 S HN -0.503 8.007 8.310 -0.062 -0.237 0.540 343 S N 0.391 116.058 115.700 -0.055 0.000 2.368 343 S HA -0.144 nan 4.470 nan 0.000 0.225 343 S C 1.244 175.842 174.600 -0.002 0.000 1.030 343 S CA 2.078 60.259 58.200 -0.030 0.000 0.999 343 S CB -0.031 63.155 63.200 -0.024 0.000 0.844 343 S HN 0.533 8.802 8.310 -0.068 0.000 0.459 344 N N 0.371 119.087 118.700 0.027 0.000 2.236 344 N HA 0.193 nan 4.740 nan 0.000 0.196 344 N C 1.395 176.955 175.510 0.084 0.000 1.114 344 N CA 0.045 53.126 53.050 0.052 0.000 0.859 344 N CB 1.094 39.644 38.487 0.104 0.000 0.982 344 N HN -0.713 7.855 8.380 0.025 -0.173 0.493 345 G N 0.908 109.761 108.800 0.088 0.000 2.553 345 G HA2 -0.394 nan 3.960 nan 0.000 0.218 345 G HA3 -0.394 nan 3.960 nan 0.000 0.218 345 G C 0.110 175.176 174.900 0.276 0.000 1.195 345 G CA 2.586 47.791 45.100 0.175 0.000 0.779 345 G HN -0.205 8.062 8.290 0.051 0.054 0.577 346 A N 0.041 122.960 122.820 0.165 0.000 1.902 346 A HA -0.240 nan 4.320 nan 0.000 0.217 346 A C 2.014 179.674 177.584 0.126 0.000 1.181 346 A CA 3.157 55.279 52.037 0.142 0.000 0.623 346 A CB -0.714 18.307 19.000 0.034 0.000 0.818 346 A HN 0.362 8.571 8.150 0.098 0.000 0.443 347 S N -2.295 113.441 115.700 0.061 0.000 2.402 347 S HA -0.332 nan 4.470 nan 0.000 0.229 347 S C 2.146 176.740 174.600 -0.009 0.000 1.021 347 S CA 3.094 61.295 58.200 0.001 0.000 0.974 347 S CB -0.795 62.378 63.200 -0.045 0.000 0.800 347 S HN -0.186 8.154 8.310 0.049 0.000 0.484 348 D N 3.378 123.809 120.400 0.051 0.000 2.144 348 D HA -0.106 nan 4.640 nan 0.000 0.200 348 D C 2.022 178.346 176.300 0.041 0.000 0.978 348 D CA 3.371 57.410 54.000 0.064 0.000 0.833 348 D CB -0.518 40.395 40.800 0.189 0.000 0.961 348 D HN -0.045 8.379 8.370 0.090 0.000 0.470 349 W N -0.522 120.872 121.300 0.158 0.000 2.425 349 W HA -0.273 nan 4.660 nan 0.000 0.277 349 W C 1.628 178.143 176.519 -0.008 0.000 1.231 349 W CA 2.970 60.395 57.345 0.133 0.000 1.248 349 W CB -0.135 29.386 29.460 0.102 0.000 1.117 349 W HN -0.356 8.032 8.180 0.346 0.000 0.568 350 A N -0.913 121.996 122.820 0.148 0.000 1.929 350 A HA -0.309 nan 4.320 nan 0.000 0.216 350 A C 1.700 179.242 177.584 -0.070 0.000 1.176 350 A CA 2.985 55.042 52.037 0.032 0.000 0.628 350 A CB -0.948 18.044 19.000 -0.013 0.000 0.816 350 A HN -0.222 7.878 8.150 0.140 0.135 0.444 351 K N -1.923 118.351 120.400 -0.209 0.000 2.097 351 K HA -0.334 nan 4.320 nan 0.000 0.205 351 K C 2.164 178.501 176.600 -0.438 0.000 1.050 351 K CA 3.211 59.229 56.287 -0.448 0.000 0.938 351 K CB -0.183 31.788 32.500 -0.882 0.000 0.718 351 K HN -0.379 7.679 8.250 -0.182 0.083 0.442 352 S N -0.060 115.421 115.700 -0.364 0.000 2.368 352 S HA -0.257 nan 4.470 nan 0.000 0.225 352 S C 1.816 176.383 174.600 -0.054 0.000 1.030 352 S CA 3.083 61.086 58.200 -0.329 0.000 0.999 352 S CB -0.103 62.781 63.200 -0.525 0.000 0.844 352 S HN -0.391 7.660 8.310 -0.295 0.082 0.459 353 L N 1.558 122.820 121.223 0.065 0.000 1.989 353 L HA -0.380 nan 4.340 nan 0.000 0.211 353 L C 1.117 178.044 176.870 0.094 0.000 1.071 353 L CA 3.235 58.152 54.840 0.130 0.000 0.749 353 L CB -0.342 41.806 42.059 0.148 0.000 0.890 353 L HN -0.399 7.878 8.230 0.079 0.000 0.431 354 D N -1.612 118.808 120.400 0.034 0.000 2.117 354 D HA -0.321 nan 4.640 nan 0.000 0.197 354 D C 2.656 179.004 176.300 0.080 0.000 0.987 354 D CA 3.470 57.501 54.000 0.052 0.000 0.829 354 D CB -0.557 40.245 40.800 0.003 0.000 0.961 354 D HN -0.659 7.704 8.370 -0.012 0.000 0.460 355 R N -0.421 120.078 120.500 -0.002 0.000 2.075 355 R HA -0.245 nan 4.340 nan 0.000 0.232 355 R C 2.345 178.744 176.300 0.165 0.000 1.126 355 R CA 2.241 58.360 56.100 0.032 0.000 0.963 355 R CB -0.366 29.855 30.300 -0.132 0.000 0.858 355 R HN -0.405 7.813 8.270 -0.088 0.000 0.435 356 Q N -0.274 119.611 119.800 0.143 0.000 2.084 356 Q HA -0.310 nan 4.340 nan 0.000 0.202 356 Q C 2.679 178.929 176.000 0.417 0.000 0.978 356 Q CA 3.393 59.349 55.803 0.256 0.000 0.844 356 Q CB -0.084 28.831 28.738 0.294 0.000 0.898 356 Q HN 0.128 8.451 8.270 0.087 0.000 0.426 357 L N -1.826 119.591 121.223 0.324 0.000 2.131 357 L HA -0.374 nan 4.340 nan 0.000 0.210 357 L C 2.228 179.245 176.870 0.245 0.000 1.092 357 L CA 2.976 57.986 54.840 0.284 0.000 0.759 357 L CB -0.442 41.715 42.059 0.163 0.000 0.903 357 L HN -0.302 8.074 8.230 0.243 0.000 0.435 358 E N -0.305 120.043 120.200 0.247 0.000 2.072 358 E HA -0.359 nan 4.350 nan 0.000 0.191 358 E C 2.380 178.948 176.600 -0.054 0.000 0.985 358 E CA 2.974 59.464 56.400 0.150 0.000 0.801 358 E CB -0.243 29.680 29.700 0.372 0.000 0.750 358 E HN -0.629 7.792 8.360 0.269 0.100 0.452 359 F N 1.842 121.705 119.950 -0.145 0.000 2.102 359 F HA -0.396 nan 4.527 nan 0.000 0.298 359 F C 1.780 177.426 175.800 -0.257 0.000 1.105 359 F CA 3.202 60.873 58.000 -0.548 0.000 1.239 359 F CB -0.071 38.630 39.000 -0.498 0.000 0.991 359 F HN -0.231 8.182 8.300 0.324 0.081 0.474 360 Y N -2.435 117.797 120.300 -0.113 0.000 2.145 360 Y HA -0.561 nan 4.550 nan 0.000 0.286 360 Y C 2.016 177.747 175.900 -0.282 0.000 1.145 360 Y CA 4.139 62.119 58.100 -0.200 0.000 1.148 360 Y CB -0.341 38.075 38.460 -0.073 0.000 0.981 360 Y HN -0.222 8.250 8.280 0.321 0.000 0.507 361 Q N -1.869 117.907 119.800 -0.039 0.000 2.050 361 Q HA -0.333 nan 4.340 nan 0.000 0.202 361 Q C 2.479 178.406 176.000 -0.121 0.000 0.980 361 Q CA 2.564 58.272 55.803 -0.158 0.000 0.840 361 Q CB -0.560 28.164 28.738 -0.023 0.000 0.898 361 Q HN -0.550 7.750 8.270 0.049 0.000 0.424 362 W N 0.295 121.333 121.300 -0.437 0.000 2.342 362 W HA -0.242 nan 4.660 nan 0.000 0.297 362 W C 0.199 176.606 176.519 -0.188 0.000 1.213 362 W CA 3.647 60.841 57.345 -0.251 0.000 1.251 362 W CB -0.072 29.117 29.460 -0.453 0.000 1.136 362 W HN -0.029 7.968 8.180 -0.306 0.000 0.526 363 L N -6.150 114.757 121.223 -0.526 0.000 2.591 363 L HA -0.034 nan 4.340 nan 0.000 0.228 363 L C -0.033 176.539 176.870 -0.498 0.000 1.133 363 L CA -0.507 53.887 54.840 -0.743 0.000 0.880 363 L CB -0.319 41.228 42.059 -0.854 0.000 1.033 363 L HN -0.764 7.107 8.230 -0.414 0.111 0.450 364 Q N 0.150 119.770 119.800 -0.301 0.000 2.281 364 Q HA -0.130 nan 4.340 nan 0.000 0.267 364 Q C -0.161 175.819 176.000 -0.033 0.000 1.053 364 Q CA 0.015 55.708 55.803 -0.184 0.000 0.905 364 Q CB 0.580 29.166 28.738 -0.252 0.000 1.195 364 Q HN -0.661 7.274 8.270 -0.265 0.175 0.398 365 S N 6.042 121.700 115.700 -0.070 0.000 2.596 365 S HA 0.009 nan 4.470 nan 0.000 0.260 365 S C 0.525 175.116 174.600 -0.015 0.000 1.336 365 S CA -0.149 58.020 58.200 -0.051 0.000 0.993 365 S CB 1.194 64.398 63.200 0.007 0.000 0.923 365 S HN 0.468 8.719 8.310 -0.098 0.000 0.567 366 A N 0.694 123.466 122.820 -0.080 0.000 1.948 366 A HA -0.361 nan 4.320 nan 0.000 0.220 366 A C 2.449 180.054 177.584 0.034 0.000 1.177 366 A CA 3.330 55.355 52.037 -0.020 0.000 0.636 366 A CB -0.510 18.465 19.000 -0.042 0.000 0.815 366 A HN 0.524 8.563 8.150 -0.185 0.000 0.449 367 E N -3.018 117.169 120.200 -0.022 0.000 2.112 367 E HA -0.179 nan 4.350 nan 0.000 0.190 367 E C 1.140 177.677 176.600 -0.105 0.000 0.979 367 E CA 1.811 58.178 56.400 -0.056 0.000 0.814 367 E CB 0.269 29.867 29.700 -0.169 0.000 0.762 367 E HN 0.165 8.477 8.360 -0.057 0.014 0.460 368 G N -5.048 103.625 108.800 -0.212 0.000 2.813 368 G HA2 -0.241 nan 3.960 nan 0.000 0.194 368 G HA3 -0.241 nan 3.960 nan 0.000 0.194 368 G C -1.135 173.660 174.900 -0.175 0.000 1.010 368 G CA -0.277 44.765 45.100 -0.096 0.000 0.771 368 G HN -0.602 7.468 8.290 -0.232 0.081 0.485 369 A N 1.491 123.886 122.820 -0.709 0.000 2.425 369 A HA 0.163 nan 4.320 nan 0.000 0.242 369 A C -1.079 176.451 177.584 -0.089 0.000 1.077 369 A CA -0.120 51.584 52.037 -0.555 0.000 0.781 369 A CB 0.859 19.194 19.000 -1.108 0.000 1.020 369 A HN -0.344 7.152 8.150 -1.090 0.000 0.494 370 I N -0.170 120.322 120.570 -0.129 0.000 2.342 370 I HA 0.203 nan 4.170 nan 0.000 0.291 370 I C -0.105 175.510 176.117 -0.837 0.000 1.010 370 I CA -2.193 58.740 61.300 -0.612 0.000 1.308 370 I CB -1.459 35.819 38.000 -1.203 0.000 1.400 370 I HN 0.044 8.618 8.210 -0.005 -0.366 0.488 371 A N 7.753 130.022 122.820 -0.919 0.000 2.327 371 A HA 0.150 nan 4.320 nan 0.000 0.255 371 A C -0.228 176.829 177.584 -0.879 0.000 1.099 371 A CA -0.348 50.922 52.037 -1.278 0.000 0.801 371 A CB 1.522 19.950 19.000 -0.953 0.000 1.062 371 A HN 0.690 8.292 8.150 -0.722 0.115 0.496 372 G N -2.404 105.915 108.800 -0.802 0.000 2.739 372 G HA2 -0.277 nan 3.960 nan 0.000 0.216 372 G HA3 -0.277 nan 3.960 nan 0.000 0.216 372 G C -0.896 173.694 174.900 -0.517 0.000 1.298 372 G CA 1.741 46.458 45.100 -0.638 0.000 0.804 372 G HN 0.466 8.167 8.290 -0.981 0.000 0.623 373 G N -2.491 106.054 108.800 -0.426 0.000 2.441 373 G HA2 0.253 nan 3.960 nan 0.000 0.225 373 G HA3 0.253 nan 3.960 nan 0.000 0.225 373 G C -3.235 171.754 174.900 0.148 0.000 1.200 373 G CA 0.333 45.381 45.100 -0.086 0.000 0.947 373 G HN -0.609 7.357 8.290 -0.541 0.000 0.484 374 A N -2.552 120.468 122.820 0.333 0.000 2.610 374 A HA 0.908 nan 4.320 nan 0.000 0.291 374 A C -3.055 174.630 177.584 0.169 0.000 1.086 374 A CA -0.760 51.483 52.037 0.343 0.000 0.677 374 A CB 3.224 22.581 19.000 0.594 0.000 1.278 374 A HN -0.121 8.241 8.150 0.354 0.000 0.414 375 T N -2.154 112.519 114.554 0.199 0.000 2.909 375 T HA 0.523 nan 4.350 nan 0.000 0.299 375 T C -1.869 172.952 174.700 0.201 0.000 1.073 375 T CA -1.415 60.779 62.100 0.158 0.000 0.999 375 T CB 2.760 71.740 68.868 0.187 0.000 1.098 375 T HN -0.056 8.364 8.240 0.300 0.000 0.477 376 N N 4.000 122.779 118.700 0.130 0.000 2.280 376 N HA 0.118 nan 4.740 nan 0.000 0.192 376 N C -0.495 175.179 175.510 0.273 0.000 1.109 376 N CA -0.006 53.167 53.050 0.206 0.000 0.855 376 N CB 0.952 39.555 38.487 0.193 0.000 0.974 376 N HN 0.115 8.514 8.380 0.032 0.000 0.482 377 S N 0.105 115.887 115.700 0.137 0.000 2.395 377 S HA 0.151 nan 4.470 nan 0.000 0.207 377 S C -1.043 173.607 174.600 0.082 0.000 1.454 377 S CA -1.254 56.932 58.200 -0.023 0.000 1.211 377 S CB 0.157 63.044 63.200 -0.522 0.000 1.093 377 S HN -0.295 8.007 8.310 0.096 0.066 0.472 378 W N 7.004 128.329 121.300 0.042 0.000 2.347 378 W HA -0.201 nan 4.660 nan 0.000 0.333 378 W C -0.918 175.605 176.519 0.008 0.000 1.383 378 W CA 2.421 59.788 57.345 0.038 0.000 1.283 378 W CB 0.577 30.073 29.460 0.060 0.000 1.253 378 W HN 0.471 8.920 8.180 0.448 0.000 0.563 379 N N 4.156 122.586 118.700 -0.450 0.000 2.778 379 N HA -0.495 nan 4.740 nan 0.000 0.249 379 N C -0.376 175.040 175.510 -0.157 0.000 1.069 379 N CA 1.279 54.166 53.050 -0.272 0.000 0.831 379 N CB -1.310 37.136 38.487 -0.070 0.000 1.142 379 N HN 0.612 8.440 8.380 -0.920 0.000 0.573 380 G N -5.528 103.198 108.800 -0.123 0.000 2.168 380 G HA2 -0.491 nan 3.960 nan 0.000 0.257 380 G HA3 -0.491 nan 3.960 nan 0.000 0.257 380 G C -0.664 174.130 174.900 -0.177 0.000 0.997 380 G CA 0.863 45.895 45.100 -0.112 0.000 0.708 380 G HN 0.364 8.432 8.290 -0.111 0.156 0.520 381 R N -1.410 119.017 120.500 -0.122 0.000 2.592 381 R HA 0.135 nan 4.340 nan 0.000 0.439 381 R C -0.760 175.620 176.300 0.134 0.000 0.995 381 R CA -1.687 54.431 56.100 0.030 0.000 1.141 381 R CB 1.008 31.346 30.300 0.063 0.000 1.495 381 R HN -0.621 7.556 8.270 -0.082 0.044 0.579 382 Y N -3.767 116.649 120.300 0.193 0.000 3.305 382 Y HA -0.391 nan 4.550 nan 0.000 0.212 382 Y C -0.513 175.480 175.900 0.156 0.000 1.248 382 Y CA 1.210 59.411 58.100 0.167 0.000 1.359 382 Y CB -3.621 34.905 38.460 0.110 0.000 1.407 382 Y HN -0.288 7.783 8.280 -0.348 0.000 0.572 383 E N -0.765 119.612 120.200 0.295 0.000 2.369 383 E HA 0.043 nan 4.350 nan 0.000 0.255 383 E C -0.536 176.195 176.600 0.219 0.000 1.172 383 E CA -0.533 56.018 56.400 0.251 0.000 0.932 383 E CB 1.228 31.095 29.700 0.278 0.000 1.040 383 E HN -0.623 7.895 8.360 0.281 0.010 0.454 384 A N 0.629 123.517 122.820 0.113 0.000 2.477 384 A HA -0.010 nan 4.320 nan 0.000 0.246 384 A C -0.355 177.132 177.584 -0.162 0.000 1.078 384 A CA 0.247 52.291 52.037 0.010 0.000 0.770 384 A CB 0.507 19.505 19.000 -0.003 0.000 1.011 384 A HN 0.094 8.311 8.150 0.111 0.000 0.494 385 V N 4.428 124.183 119.914 -0.265 0.000 2.521 385 V HA -0.034 nan 4.120 nan 0.000 0.286 385 V C -1.107 174.702 176.094 -0.475 0.000 1.034 385 V CA -1.562 60.355 62.300 -0.639 0.000 1.045 385 V CB -0.437 31.132 31.823 -0.424 0.000 0.974 385 V HN 0.272 8.382 8.190 -0.133 0.000 0.480 386 P HA -0.008 nan 4.420 nan 0.000 0.265 386 P C -0.846 176.344 177.300 -0.182 0.000 1.187 386 P CA -0.249 62.693 63.100 -0.264 0.000 0.766 386 P CB 0.836 32.416 31.700 -0.200 0.000 0.820 387 S N 2.238 117.880 115.700 -0.097 0.000 2.549 387 S HA -0.212 nan 4.470 nan 0.000 0.286 387 S C 1.026 175.602 174.600 -0.040 0.000 1.314 387 S CA 1.860 60.024 58.200 -0.060 0.000 1.062 387 S CB 0.127 63.307 63.200 -0.034 0.000 0.865 387 S HN 0.132 8.395 8.310 -0.078 0.000 0.498 388 G N 4.593 113.379 108.800 -0.024 0.000 2.195 388 G HA2 -0.318 nan 3.960 nan 0.000 0.246 388 G HA3 -0.318 nan 3.960 nan 0.000 0.246 388 G C -0.835 174.075 174.900 0.017 0.000 0.984 388 G CA -0.036 45.065 45.100 0.001 0.000 0.633 388 G HN 0.191 8.466 8.290 -0.026 0.000 0.525 389 T N 3.639 118.187 114.554 -0.009 0.000 2.832 389 T HA 0.007 nan 4.350 nan 0.000 0.296 389 T C 0.127 174.891 174.700 0.108 0.000 0.968 389 T CA 0.690 62.812 62.100 0.037 0.000 1.107 389 T CB 0.520 69.324 68.868 -0.108 0.000 0.916 389 T HN -0.504 7.633 8.240 -0.058 0.068 0.517 390 S N 7.335 123.159 115.700 0.206 0.000 2.579 390 S HA 0.196 nan 4.470 nan 0.000 0.275 390 S C -1.235 173.628 174.600 0.438 0.000 1.345 390 S CA 1.979 60.362 58.200 0.305 0.000 1.031 390 S CB 1.035 64.435 63.200 0.333 0.000 0.892 390 S HN 0.023 8.799 8.310 0.205 -0.343 0.529 391 T N -1.917 112.863 114.554 0.377 0.000 2.906 391 T HA 0.752 nan 4.350 nan 0.000 0.295 391 T C -2.423 172.245 174.700 -0.054 0.000 1.075 391 T CA -1.970 60.274 62.100 0.240 0.000 1.005 391 T CB 3.290 72.226 68.868 0.113 0.000 1.136 391 T HN -0.194 8.243 8.240 0.328 0.000 0.498 392 F N 3.145 122.831 119.950 -0.441 0.000 2.577 392 F HA 0.467 nan 4.527 nan 0.000 0.344 392 F C -1.332 174.418 175.800 -0.084 0.000 1.145 392 F CA -1.157 56.438 58.000 -0.675 0.000 0.996 392 F CB 2.567 40.755 39.000 -1.353 0.000 1.248 392 F HN 0.318 8.529 8.300 0.032 0.108 0.447 393 Y N 6.412 126.443 120.300 -0.448 0.000 3.389 393 Y HA -0.381 nan 4.550 nan 0.000 0.213 393 Y C -0.334 175.506 175.900 -0.100 0.000 1.272 393 Y CA 0.396 58.322 58.100 -0.291 0.000 1.444 393 Y CB -2.291 35.935 38.460 -0.389 0.000 1.445 393 Y HN 0.704 8.597 8.280 -0.645 0.000 0.583 394 G N -5.160 103.649 108.800 0.015 0.000 2.179 394 G HA2 -0.387 nan 3.960 nan 0.000 0.260 394 G HA3 -0.387 nan 3.960 nan 0.000 0.260 394 G C -0.276 174.695 174.900 0.119 0.000 0.977 394 G CA -0.066 45.070 45.100 0.059 0.000 0.641 394 G HN 0.146 8.383 8.290 -0.060 0.018 0.533 395 M N 2.013 121.711 119.600 0.163 0.000 2.188 395 M HA 0.026 nan 4.480 nan 0.000 0.357 395 M C -0.341 176.143 176.300 0.307 0.000 1.204 395 M CA -0.120 55.321 55.300 0.236 0.000 1.095 395 M CB 0.981 33.729 32.600 0.246 0.000 1.604 395 M HN -0.489 7.687 8.290 0.149 0.203 0.464 396 G N 2.148 111.170 108.800 0.370 0.000 2.403 396 G HA2 0.074 nan 3.960 nan 0.000 0.259 396 G HA3 0.074 nan 3.960 nan 0.000 0.259 396 G C -1.899 173.387 174.900 0.642 0.000 1.244 396 G CA -0.772 44.604 45.100 0.461 0.000 0.849 396 G HN 0.072 8.586 8.290 0.373 0.000 0.532 397 Y N 6.881 127.510 120.300 0.548 0.000 2.610 397 Y HA -0.113 nan 4.550 nan 0.000 0.332 397 Y C -0.963 175.124 175.900 0.311 0.000 1.201 397 Y CA 1.298 59.663 58.100 0.442 0.000 1.465 397 Y CB 0.770 39.385 38.460 0.259 0.000 1.283 397 Y HN -0.037 8.678 8.280 0.724 0.000 0.563 398 V N 2.208 121.695 119.914 -0.712 0.000 2.577 398 V HA 0.438 nan 4.120 nan 0.000 0.303 398 V C -0.879 174.554 176.094 -1.101 0.000 1.042 398 V CA -2.312 59.560 62.300 -0.715 0.000 0.872 398 V CB 2.170 33.706 31.823 -0.478 0.000 0.998 398 V HN 0.287 7.973 8.190 -0.658 0.108 0.423 399 E N 5.716 125.387 120.200 -0.883 0.000 2.110 399 E HA -0.269 nan 4.350 nan 0.000 0.193 399 E C -0.791 175.527 176.600 -0.469 0.000 0.988 399 E CA 2.349 58.373 56.400 -0.626 0.000 0.804 399 E CB 0.322 29.887 29.700 -0.226 0.000 0.745 399 E HN 0.469 8.462 8.360 -0.612 0.000 0.458 400 N N -1.032 117.449 118.700 -0.364 0.000 2.762 400 N HA 0.303 nan 4.740 nan 0.000 0.252 400 N C -2.303 172.998 175.510 -0.349 0.000 1.269 400 N CA -1.902 50.992 53.050 -0.259 0.000 0.799 400 N CB 0.515 38.934 38.487 -0.112 0.000 1.173 400 N HN -0.435 7.720 8.380 -0.375 0.000 0.516 401 P HA 0.003 nan 4.420 nan 0.000 0.265 401 P C 0.500 177.367 177.300 -0.722 0.000 1.193 401 P CA 0.211 63.013 63.100 -0.497 0.000 0.765 401 P CB 0.553 32.045 31.700 -0.346 0.000 0.823 402 V N -1.326 118.014 119.914 -0.956 0.000 0.481 402 V HA -0.428 nan 4.120 nan 0.000 0.092 402 V C -0.193 175.177 176.094 -1.207 0.000 2.400 402 V CA 2.926 64.442 62.300 -1.307 0.000 3.646 402 V CB -1.252 29.331 31.823 -2.067 0.000 0.927 402 V HN 0.521 8.155 8.190 -0.928 0.000 0.973 403 Y N -1.857 118.096 120.300 -0.577 0.000 2.446 403 Y HA 0.164 nan 4.550 nan 0.000 0.345 403 Y C -1.344 174.428 175.900 -0.214 0.000 0.984 403 Y CA -1.824 56.065 58.100 -0.353 0.000 1.058 403 Y CB 2.521 40.795 38.460 -0.310 0.000 1.220 403 Y HN -0.521 7.262 8.280 -0.698 0.077 0.455 404 A N 1.672 124.523 122.820 0.051 0.000 2.508 404 A HA 0.215 nan 4.320 nan 0.000 0.250 404 A C -1.405 176.220 177.584 0.068 0.000 1.208 404 A CA -0.237 51.815 52.037 0.025 0.000 0.960 404 A CB 1.459 20.448 19.000 -0.018 0.000 1.099 404 A HN 0.365 8.581 8.150 0.110 0.000 0.542 405 D N -0.440 120.014 120.400 0.091 0.000 2.441 405 D HA 0.404 nan 4.640 nan 0.000 0.287 405 D C -2.494 173.858 176.300 0.087 0.000 1.198 405 D CA -3.138 50.918 54.000 0.094 0.000 0.894 405 D CB 1.320 42.182 40.800 0.104 0.000 1.070 405 D HN -0.640 7.798 8.370 0.114 0.000 0.499 406 P HA 0.226 nan 4.420 nan 0.000 0.280 406 P C -0.659 176.713 177.300 0.119 0.000 1.272 406 P CA -1.022 62.144 63.100 0.109 0.000 0.819 406 P CB 1.303 33.076 31.700 0.122 0.000 1.122 407 G N -1.290 107.587 108.800 0.129 0.000 2.265 407 G HA2 -0.108 nan 3.960 nan 0.000 0.240 407 G HA3 -0.108 nan 3.960 nan 0.000 0.240 407 G C 0.988 176.004 174.900 0.192 0.000 1.270 407 G CA -0.153 45.024 45.100 0.129 0.000 0.901 407 G HN 0.197 8.564 8.290 0.127 0.000 0.507 408 S N 5.944 121.751 115.700 0.179 0.000 2.469 408 S HA -0.372 nan 4.470 nan 0.000 0.238 408 S C 1.666 176.560 174.600 0.489 0.000 0.998 408 S CA 3.031 61.417 58.200 0.311 0.000 0.957 408 S CB 0.225 63.574 63.200 0.248 0.000 0.764 408 S HN 0.167 8.529 8.310 0.086 0.000 0.514 409 N N 0.378 119.304 118.700 0.377 0.000 2.328 409 N HA 0.306 nan 4.740 nan 0.000 0.247 409 N C -0.900 174.935 175.510 0.543 0.000 1.165 409 N CA -0.950 52.375 53.050 0.459 0.000 0.873 409 N CB 0.404 38.986 38.487 0.159 0.000 1.125 409 N HN -0.037 8.743 8.380 0.230 -0.262 0.513 410 T N -4.062 110.767 114.554 0.458 0.000 3.040 410 T HA 0.228 nan 4.350 nan 0.000 0.250 410 T C -0.685 174.283 174.700 0.445 0.000 1.058 410 T CA -0.439 61.909 62.100 0.415 0.000 0.988 410 T CB 0.267 69.312 68.868 0.295 0.000 0.993 410 T HN -0.318 8.102 8.240 0.409 0.065 0.519 411 W N 1.660 123.120 121.300 0.267 0.000 2.361 411 W HA 0.166 nan 4.660 nan 0.000 0.309 411 W C -0.093 176.595 176.519 0.283 0.000 1.122 411 W CA -2.950 54.531 57.345 0.227 0.000 1.208 411 W CB 1.052 30.600 29.460 0.146 0.000 1.246 411 W HN -0.849 7.634 8.180 0.592 0.051 0.490 412 F N 9.336 129.210 119.950 -0.127 0.000 2.269 412 F HA -0.372 nan 4.527 nan 0.000 0.301 412 F C 1.163 176.629 175.800 -0.558 0.000 1.082 412 F CA 3.086 60.974 58.000 -0.187 0.000 1.360 412 F CB 0.389 39.326 39.000 -0.106 0.000 1.041 412 F HN 0.167 8.639 8.300 0.287 0.000 0.512 413 G N -1.011 106.681 108.800 -1.847 0.000 2.469 413 G HA2 -0.464 nan 3.960 nan 0.000 0.220 413 G HA3 -0.464 nan 3.960 nan 0.000 0.220 413 G C 1.058 175.103 174.900 -1.427 0.000 1.136 413 G CA 2.173 45.849 45.100 -2.374 0.000 0.759 413 G HN 0.383 7.055 8.290 -2.650 0.029 0.562 414 M N 0.668 119.801 119.600 -0.777 0.000 2.159 414 M HA -0.296 nan 4.480 nan 0.000 0.263 414 M C 2.413 178.698 176.300 -0.025 0.000 1.063 414 M CA 2.039 57.200 55.300 -0.232 0.000 1.110 414 M CB -1.270 31.349 32.600 0.033 0.000 1.374 414 M HN -0.686 7.181 8.290 -0.675 0.018 0.411 415 Q N -1.595 118.245 119.800 0.067 0.000 2.030 415 Q HA -0.270 nan 4.340 nan 0.000 0.204 415 Q C 2.546 178.624 176.000 0.131 0.000 0.986 415 Q CA 3.139 59.130 55.803 0.312 0.000 0.843 415 Q CB -0.807 28.074 28.738 0.238 0.000 0.904 415 Q HN -0.187 7.893 8.270 -0.140 0.106 0.420 416 V N -4.434 115.423 119.914 -0.096 0.000 2.379 416 V HA -0.160 nan 4.120 nan 0.000 0.245 416 V C 1.927 178.163 176.094 0.237 0.000 1.044 416 V CA 3.192 65.547 62.300 0.092 0.000 1.036 416 V CB -1.249 30.656 31.823 0.137 0.000 0.664 416 V HN -0.799 7.109 8.190 -0.469 0.000 0.453 417 W N -0.045 121.245 121.300 -0.017 0.000 2.338 417 W HA -0.274 nan 4.660 nan 0.000 0.304 417 W C 2.339 178.877 176.519 0.031 0.000 1.212 417 W CA 2.197 59.568 57.345 0.044 0.000 1.264 417 W CB -1.266 28.188 29.460 -0.010 0.000 1.142 417 W HN 0.050 8.277 8.180 0.079 0.000 0.512 418 S N -2.088 113.764 115.700 0.254 0.000 2.362 418 S HA -0.136 nan 4.470 nan 0.000 0.221 418 S C 2.282 176.989 174.600 0.178 0.000 1.032 418 S CA 3.039 61.375 58.200 0.226 0.000 0.973 418 S CB 0.030 63.347 63.200 0.194 0.000 0.849 418 S HN -0.603 7.841 8.310 0.224 0.000 0.465 419 M N 0.949 120.553 119.600 0.006 0.000 2.374 419 M HA -0.154 nan 4.480 nan 0.000 0.264 419 M C 1.851 178.034 176.300 -0.195 0.000 1.067 419 M CA 1.392 56.506 55.300 -0.310 0.000 1.103 419 M CB -1.095 30.885 32.600 -1.034 0.000 1.402 419 M HN -0.224 8.081 8.290 0.025 0.000 0.444 420 Q N -0.188 119.599 119.800 -0.022 0.000 2.096 420 Q HA -0.335 nan 4.340 nan 0.000 0.204 420 Q C 2.285 178.284 176.000 -0.002 0.000 0.982 420 Q CA 3.879 59.731 55.803 0.081 0.000 0.850 420 Q CB -0.304 28.570 28.738 0.227 0.000 0.901 420 Q HN -0.056 8.201 8.270 0.035 0.033 0.422 421 R N -1.358 119.143 120.500 0.001 0.000 2.092 421 R HA -0.255 nan 4.340 nan 0.000 0.231 421 R C 2.626 178.915 176.300 -0.018 0.000 1.119 421 R CA 3.047 59.136 56.100 -0.018 0.000 0.970 421 R CB -0.255 30.088 30.300 0.071 0.000 0.864 421 R HN -0.617 7.671 8.270 0.047 0.010 0.440 422 V N -0.458 119.410 119.914 -0.077 0.000 2.427 422 V HA -0.319 nan 4.120 nan 0.000 0.248 422 V C 1.696 177.781 176.094 -0.014 0.000 1.051 422 V CA 4.025 66.243 62.300 -0.137 0.000 1.048 422 V CB -1.100 30.508 31.823 -0.359 0.000 0.666 422 V HN -0.596 7.453 8.190 -0.089 0.088 0.456 423 A N -1.248 121.576 122.820 0.008 0.000 1.930 423 A HA -0.331 nan 4.320 nan 0.000 0.217 423 A C 2.082 179.711 177.584 0.075 0.000 1.175 423 A CA 3.517 55.657 52.037 0.171 0.000 0.627 423 A CB -0.860 18.277 19.000 0.229 0.000 0.815 423 A HN 0.204 8.227 8.150 -0.047 0.099 0.443 424 E N -1.059 118.999 120.200 -0.237 0.000 2.072 424 E HA -0.325 nan 4.350 nan 0.000 0.191 424 E C 2.348 178.939 176.600 -0.016 0.000 0.985 424 E CA 2.789 58.890 56.400 -0.499 0.000 0.801 424 E CB -0.090 29.051 29.700 -0.931 0.000 0.750 424 E HN -0.487 7.652 8.360 -0.221 0.089 0.452 425 L N 0.321 121.616 121.223 0.120 0.000 2.017 425 L HA -0.334 nan 4.340 nan 0.000 0.208 425 L C 1.384 178.262 176.870 0.013 0.000 1.073 425 L CA 3.082 57.972 54.840 0.084 0.000 0.745 425 L CB -0.329 41.758 42.059 0.048 0.000 0.894 425 L HN -0.424 7.846 8.230 0.067 0.000 0.432 426 Y N -0.616 119.680 120.300 -0.006 0.000 2.181 426 Y HA -0.493 nan 4.550 nan 0.000 0.288 426 Y C 1.668 177.611 175.900 0.072 0.000 1.146 426 Y CA 3.204 61.324 58.100 0.034 0.000 1.164 426 Y CB -0.408 38.121 38.460 0.115 0.000 0.982 426 Y HN -0.075 8.347 8.280 0.236 0.000 0.515 427 Y N -0.009 120.230 120.300 -0.101 0.000 2.145 427 Y HA -0.535 nan 4.550 nan 0.000 0.286 427 Y C 1.612 177.454 175.900 -0.096 0.000 1.145 427 Y CA 3.931 61.960 58.100 -0.119 0.000 1.148 427 Y CB 0.177 38.744 38.460 0.179 0.000 0.981 427 Y HN -0.049 8.401 8.280 0.283 0.000 0.507 428 K N -2.912 117.430 120.400 -0.096 0.000 2.167 428 K HA -0.157 nan 4.320 nan 0.000 0.203 428 K C 2.041 178.427 176.600 -0.357 0.000 1.052 428 K CA 2.038 58.183 56.287 -0.236 0.000 0.956 428 K CB 0.185 32.551 32.500 -0.224 0.000 0.735 428 K HN -0.323 7.977 8.250 0.084 0.000 0.451 429 T N -8.979 105.354 114.554 -0.367 0.000 2.959 429 T HA 0.320 nan 4.350 nan 0.000 0.254 429 T C 1.411 176.021 174.700 -0.149 0.000 1.003 429 T CA -0.738 61.191 62.100 -0.285 0.000 0.950 429 T CB 0.960 69.598 68.868 -0.384 0.000 1.090 429 T HN -0.261 7.790 8.240 -0.315 0.000 0.503 430 G N 2.629 111.346 108.800 -0.138 0.000 2.168 430 G HA2 -0.384 nan 3.960 nan 0.000 0.257 430 G HA3 -0.384 nan 3.960 nan 0.000 0.257 430 G C -0.235 174.768 174.900 0.172 0.000 0.997 430 G CA 0.341 45.425 45.100 -0.026 0.000 0.708 430 G HN -0.043 8.021 8.290 -0.198 0.108 0.520 431 D N 0.903 121.384 120.400 0.135 0.000 2.581 431 D HA -0.184 nan 4.640 nan 0.000 0.238 431 D C 0.683 177.068 176.300 0.143 0.000 1.145 431 D CA 1.131 55.196 54.000 0.108 0.000 0.866 431 D CB 1.045 41.875 40.800 0.050 0.000 1.151 431 D HN -0.678 7.679 8.370 0.061 0.050 0.500 432 A N 7.059 129.940 122.820 0.103 0.000 1.940 432 A HA -0.281 nan 4.320 nan 0.000 0.219 432 A C 2.048 179.659 177.584 0.046 0.000 1.176 432 A CA 2.955 55.042 52.037 0.083 0.000 0.631 432 A CB -0.022 19.025 19.000 0.079 0.000 0.814 432 A HN 0.636 8.840 8.150 0.090 0.000 0.446 433 R N -1.821 118.709 120.500 0.049 0.000 2.081 433 R HA -0.339 nan 4.340 nan 0.000 0.235 433 R C 2.201 178.482 176.300 -0.032 0.000 1.131 433 R CA 3.183 59.304 56.100 0.034 0.000 0.960 433 R CB -0.183 30.156 30.300 0.065 0.000 0.856 433 R HN -0.184 8.289 8.270 0.063 -0.165 0.436 434 A N -1.183 121.611 122.820 -0.044 0.000 1.930 434 A HA -0.206 nan 4.320 nan 0.000 0.217 434 A C 1.592 179.020 177.584 -0.260 0.000 1.175 434 A CA 2.945 54.911 52.037 -0.119 0.000 0.627 434 A CB -0.887 18.107 19.000 -0.009 0.000 0.815 434 A HN -0.507 7.848 8.150 0.006 -0.201 0.443 435 K N -1.355 118.854 120.400 -0.318 0.000 2.002 435 K HA -0.369 nan 4.320 nan 0.000 0.209 435 K C 2.145 178.630 176.600 -0.191 0.000 1.048 435 K CA 3.540 59.537 56.287 -0.484 0.000 0.930 435 K CB -0.143 32.214 32.500 -0.238 0.000 0.714 435 K HN -0.255 7.818 8.250 -0.146 0.090 0.438 436 K N -1.519 118.830 120.400 -0.085 0.000 2.063 436 K HA -0.315 nan 4.320 nan 0.000 0.208 436 K C 2.771 179.337 176.600 -0.056 0.000 1.048 436 K CA 3.180 59.451 56.287 -0.026 0.000 0.928 436 K CB -0.163 32.346 32.500 0.015 0.000 0.713 436 K HN -0.444 7.767 8.250 -0.066 0.000 0.442 437 L N -1.069 120.088 121.223 -0.110 0.000 1.994 437 L HA -0.348 nan 4.340 nan 0.000 0.208 437 L C 2.124 178.949 176.870 -0.076 0.000 1.071 437 L CA 3.072 57.836 54.840 -0.126 0.000 0.745 437 L CB -0.093 41.851 42.059 -0.193 0.000 0.892 437 L HN -0.587 7.570 8.230 -0.121 0.000 0.431 438 L N -1.486 119.648 121.223 -0.148 0.000 2.093 438 L HA -0.498 nan 4.340 nan 0.000 0.208 438 L C 2.291 179.031 176.870 -0.216 0.000 1.085 438 L CA 3.288 58.008 54.840 -0.201 0.000 0.755 438 L CB -0.650 41.223 42.059 -0.310 0.000 0.904 438 L HN 0.020 8.131 8.230 -0.197 0.000 0.435 439 D N -0.705 119.660 120.400 -0.058 0.000 2.104 439 D HA -0.323 nan 4.640 nan 0.000 0.194 439 D C 2.518 178.875 176.300 0.095 0.000 0.994 439 D CA 3.660 57.714 54.000 0.089 0.000 0.830 439 D CB -0.665 40.221 40.800 0.143 0.000 0.959 439 D HN 0.105 8.445 8.370 -0.050 0.000 0.452 440 K N -0.133 120.329 120.400 0.104 0.000 2.062 440 K HA -0.219 nan 4.320 nan 0.000 0.205 440 K C 2.078 178.805 176.600 0.212 0.000 1.051 440 K CA 2.913 59.287 56.287 0.146 0.000 0.941 440 K CB 0.228 32.808 32.500 0.133 0.000 0.719 440 K HN -0.912 7.381 8.250 0.072 0.000 0.440 441 W N -0.017 121.301 121.300 0.031 0.000 2.355 441 W HA -0.429 nan 4.660 nan 0.000 0.309 441 W C 1.212 177.841 176.519 0.184 0.000 1.206 441 W CA 4.100 61.528 57.345 0.138 0.000 1.284 441 W CB 0.212 29.714 29.460 0.069 0.000 1.145 441 W HN -0.112 8.235 8.180 0.280 0.000 0.502 442 A N -2.284 120.689 122.820 0.254 0.000 1.933 442 A HA -0.463 nan 4.320 nan 0.000 0.218 442 A C 1.682 179.255 177.584 -0.018 0.000 1.175 442 A CA 3.223 55.281 52.037 0.035 0.000 0.628 442 A CB -1.030 17.872 19.000 -0.164 0.000 0.814 442 A HN 0.479 8.670 8.150 0.252 0.110 0.444 443 K N -1.272 119.166 120.400 0.062 0.000 2.097 443 K HA -0.312 nan 4.320 nan 0.000 0.206 443 K C 1.810 178.431 176.600 0.034 0.000 1.049 443 K CA 2.954 59.283 56.287 0.070 0.000 0.933 443 K CB -0.074 32.494 32.500 0.113 0.000 0.717 443 K HN -0.714 7.593 8.250 0.095 0.000 0.442 444 W N -0.369 120.853 121.300 -0.130 0.000 2.354 444 W HA -0.313 nan 4.660 nan 0.000 0.315 444 W C 2.436 178.813 176.519 -0.237 0.000 1.206 444 W CA 3.312 60.555 57.345 -0.170 0.000 1.290 444 W CB -0.037 29.304 29.460 -0.199 0.000 1.152 444 W HN -0.500 7.710 8.180 0.193 0.086 0.489 445 I N 0.010 120.093 120.570 -0.811 0.000 2.394 445 I HA -0.500 nan 4.170 nan 0.000 0.251 445 I C 2.021 177.788 176.117 -0.584 0.000 1.136 445 I CA 1.716 62.374 61.300 -1.069 0.000 1.425 445 I CB -0.195 37.156 38.000 -1.083 0.000 1.079 445 I HN -0.056 7.841 8.210 -0.522 0.000 0.425 446 N N -0.477 118.023 118.700 -0.334 0.000 2.289 446 N HA -0.180 nan 4.740 nan 0.000 0.184 446 N C 2.428 177.835 175.510 -0.171 0.000 1.016 446 N CA 2.872 55.822 53.050 -0.166 0.000 0.872 446 N CB -0.375 38.085 38.487 -0.044 0.000 0.973 446 N HN 0.204 8.407 8.380 -0.295 0.000 0.433 447 G N -2.718 105.946 108.800 -0.226 0.000 2.985 447 G HA2 0.054 nan 3.960 nan 0.000 0.209 447 G HA3 0.054 nan 3.960 nan 0.000 0.209 447 G C -0.378 174.379 174.900 -0.238 0.000 1.165 447 G CA 0.369 45.361 45.100 -0.178 0.000 0.776 447 G HN -0.585 7.412 8.290 -0.280 0.125 0.541 448 E N -2.134 117.846 120.200 -0.367 0.000 2.526 448 E HA 0.165 nan 4.350 nan 0.000 0.208 448 E C -0.682 175.749 176.600 -0.281 0.000 0.997 448 E CA -1.349 54.853 56.400 -0.331 0.000 0.961 448 E CB 0.710 30.072 29.700 -0.563 0.000 1.030 448 E HN -0.346 7.542 8.360 -0.445 0.206 0.483 449 I N 1.901 122.295 120.570 -0.294 0.000 2.325 449 I HA -0.051 nan 4.170 nan 0.000 0.291 449 I C -0.878 174.999 176.117 -0.400 0.000 1.019 449 I CA -0.038 61.052 61.300 -0.349 0.000 1.302 449 I CB 0.272 38.072 38.000 -0.333 0.000 1.401 449 I HN -0.960 7.089 8.210 -0.269 0.000 0.485 450 K N 7.958 128.094 120.400 -0.441 0.000 2.339 450 K HA 0.385 nan 4.320 nan 0.000 0.264 450 K C -1.686 174.681 176.600 -0.389 0.000 0.986 450 K CA -1.573 54.502 56.287 -0.352 0.000 0.866 450 K CB 1.246 33.561 32.500 -0.308 0.000 1.103 450 K HN 0.576 8.598 8.250 -0.381 0.000 0.441 451 F N 3.219 123.182 119.950 0.021 0.000 2.415 451 F HA 0.334 nan 4.527 nan 0.000 0.348 451 F C 0.156 175.975 175.800 0.033 0.000 1.119 451 F CA -0.840 57.199 58.000 0.066 0.000 1.069 451 F CB 1.179 40.202 39.000 0.038 0.000 1.124 451 F HN 0.231 8.545 8.300 0.022 0.000 0.472 452 N N 4.137 122.966 118.700 0.214 0.000 2.489 452 N HA 0.205 nan 4.740 nan 0.000 0.284 452 N C 0.582 176.157 175.510 0.108 0.000 1.158 452 N CA -0.655 52.461 53.050 0.110 0.000 0.965 452 N CB 0.885 39.408 38.487 0.060 0.000 1.195 452 N HN 0.230 8.773 8.380 0.272 0.000 0.506 453 A N 1.864 124.718 122.820 0.058 0.000 2.070 453 A HA -0.188 nan 4.320 nan 0.000 0.220 453 A C 0.034 177.638 177.584 0.034 0.000 1.159 453 A CA 2.427 54.488 52.037 0.040 0.000 0.656 453 A CB -0.395 18.616 19.000 0.019 0.000 0.800 453 A HN 0.427 8.601 8.150 0.039 0.000 0.453 454 D N -3.515 116.905 120.400 0.032 0.000 2.319 454 D HA -0.059 nan 4.640 nan 0.000 0.230 454 D C 1.102 177.419 176.300 0.028 0.000 1.094 454 D CA -0.856 53.153 54.000 0.015 0.000 0.856 454 D CB -0.898 39.897 40.800 -0.009 0.000 0.915 454 D HN -0.410 7.946 8.370 0.034 0.034 0.517 455 G N -0.318 108.530 108.800 0.080 0.000 2.217 455 G HA2 -0.378 nan 3.960 nan 0.000 0.246 455 G HA3 -0.378 nan 3.960 nan 0.000 0.246 455 G C -0.518 174.519 174.900 0.228 0.000 0.990 455 G CA 0.400 45.576 45.100 0.126 0.000 0.627 455 G HN -0.175 8.092 8.290 0.093 0.079 0.522 456 T N -2.467 112.194 114.554 0.178 0.000 2.788 456 T HA 0.484 nan 4.350 nan 0.000 0.280 456 T C -1.304 173.589 174.700 0.322 0.000 0.984 456 T CA -0.806 61.435 62.100 0.235 0.000 0.972 456 T CB 1.552 70.462 68.868 0.071 0.000 1.039 456 T HN -0.689 7.771 8.240 0.103 -0.158 0.530 457 F N -2.997 117.034 119.950 0.134 0.000 2.745 457 F HA 0.823 nan 4.527 nan 0.000 0.316 457 F C -2.156 173.578 175.800 -0.111 0.000 1.155 457 F CA -1.405 56.565 58.000 -0.050 0.000 0.937 457 F CB 2.552 41.470 39.000 -0.137 0.000 1.361 457 F HN -0.520 7.635 8.300 -0.243 0.000 0.472 458 Q N -1.135 118.638 119.800 -0.046 0.000 2.345 458 Q HA 0.690 nan 4.340 nan 0.000 0.275 458 Q C -1.883 174.121 176.000 0.008 0.000 1.063 458 Q CA -0.796 54.955 55.803 -0.087 0.000 0.819 458 Q CB 5.062 33.725 28.738 -0.125 0.000 1.356 458 Q HN 0.510 8.766 8.270 -0.024 0.000 0.418 459 I N -4.702 115.887 120.570 0.031 0.000 3.074 459 I HA 0.762 nan 4.170 nan 0.000 0.310 459 I C -3.145 172.845 176.117 -0.213 0.000 1.153 459 I CA -3.685 57.552 61.300 -0.104 0.000 0.993 459 I CB 2.137 40.046 38.000 -0.152 0.000 1.237 459 I HN 0.555 8.772 8.210 0.012 0.000 0.443 460 P HA 0.008 nan 4.420 nan 0.000 0.265 460 P C -1.522 175.475 177.300 -0.503 0.000 1.187 460 P CA 1.239 63.879 63.100 -0.767 0.000 0.766 460 P CB 0.079 31.225 31.700 -0.924 0.000 0.820 461 S N 2.843 118.397 115.700 -0.242 0.000 2.979 461 S HA 0.205 nan 4.470 nan 0.000 0.243 461 S C -0.607 174.090 174.600 0.162 0.000 1.036 461 S CA 0.588 58.809 58.200 0.035 0.000 0.846 461 S CB 2.438 65.662 63.200 0.040 0.000 0.806 461 S HN 0.610 8.706 8.310 -0.358 0.000 0.568 462 T N 4.363 118.954 114.554 0.062 0.000 2.797 462 T HA 0.659 nan 4.350 nan 0.000 0.279 462 T C -1.445 173.274 174.700 0.032 0.000 0.991 462 T CA 0.004 62.174 62.100 0.117 0.000 0.979 462 T CB 1.335 70.259 68.868 0.093 0.000 0.943 462 T HN -0.722 7.591 8.240 -0.050 -0.102 0.444 463 I N -0.082 120.541 120.570 0.087 0.000 3.002 463 I HA 0.967 nan 4.170 nan 0.000 0.310 463 I C -1.636 174.431 176.117 -0.083 0.000 1.087 463 I CA -2.847 58.425 61.300 -0.047 0.000 1.017 463 I CB 3.011 40.977 38.000 -0.055 0.000 1.226 463 I HN 0.390 8.600 8.210 0.188 0.113 0.443 464 D N 1.186 121.405 120.400 -0.301 0.000 2.559 464 D HA 0.457 nan 4.640 nan 0.000 0.250 464 D C -2.364 173.618 176.300 -0.530 0.000 1.135 464 D CA -1.440 52.443 54.000 -0.195 0.000 0.955 464 D CB 4.508 45.283 40.800 -0.042 0.000 1.442 464 D HN 0.418 8.440 8.370 -0.417 0.098 0.471 465 W N -2.268 119.062 121.300 0.050 0.000 3.031 465 W HA 0.565 nan 4.660 nan 0.000 0.337 465 W C -1.130 175.421 176.519 0.053 0.000 1.187 465 W CA -0.931 56.439 57.345 0.042 0.000 1.166 465 W CB 3.497 32.980 29.460 0.038 0.000 1.437 465 W HN -0.088 8.245 8.180 0.255 0.000 0.551 466 E N -0.640 119.742 120.200 0.304 0.000 2.308 466 E HA 0.374 nan 4.350 nan 0.000 0.275 466 E C -1.310 175.392 176.600 0.170 0.000 0.890 466 E CA -0.702 55.823 56.400 0.208 0.000 0.754 466 E CB 3.212 33.018 29.700 0.176 0.000 1.207 466 E HN 0.297 8.869 8.360 0.353 0.000 0.426 467 G N 3.408 112.280 108.800 0.120 0.000 2.615 467 G HA2 -0.365 nan 3.960 nan 0.000 0.218 467 G HA3 -0.365 nan 3.960 nan 0.000 0.218 467 G C -2.000 172.873 174.900 -0.045 0.000 1.339 467 G CA 0.222 45.342 45.100 0.035 0.000 0.884 467 G HN 0.308 8.677 8.290 0.131 0.000 0.559 468 Q N -1.940 117.739 119.800 -0.202 0.000 2.522 468 Q HA 0.295 nan 4.340 nan 0.000 0.285 468 Q C -3.081 172.605 176.000 -0.523 0.000 0.982 468 Q CA -2.956 52.528 55.803 -0.533 0.000 0.805 468 Q CB 1.986 30.510 28.738 -0.357 0.000 1.457 468 Q HN -0.057 8.114 8.270 -0.164 0.000 0.394 469 P HA -0.047 nan 4.420 nan 0.000 0.274 469 P C -0.965 176.236 177.300 -0.165 0.000 1.237 469 P CA -0.343 62.438 63.100 -0.532 0.000 0.793 469 P CB 0.651 31.734 31.700 -1.029 0.000 0.977 470 D N 0.776 121.183 120.400 0.013 0.000 2.362 470 D HA 0.021 nan 4.640 nan 0.000 0.242 470 D C 0.678 177.214 176.300 0.393 0.000 1.132 470 D CA 0.345 54.428 54.000 0.138 0.000 0.907 470 D CB 0.814 41.671 40.800 0.095 0.000 1.195 470 D HN -0.177 8.462 8.370 -0.018 -0.279 0.429 471 T N 2.104 116.844 114.554 0.311 0.000 2.908 471 T HA -0.153 nan 4.350 nan 0.000 0.301 471 T C -0.251 174.648 174.700 0.333 0.000 1.019 471 T CA 1.012 63.319 62.100 0.346 0.000 1.152 471 T CB 0.025 68.985 68.868 0.154 0.000 0.966 471 T HN 0.408 8.761 8.240 0.189 0.000 0.540 472 W N 8.529 129.853 121.300 0.041 0.000 2.368 472 W HA -0.228 nan 4.660 nan 0.000 0.316 472 W C -1.799 174.621 176.519 -0.164 0.000 1.375 472 W CA 0.335 57.642 57.345 -0.063 0.000 1.261 472 W CB 0.774 30.030 29.460 -0.340 0.000 1.298 472 W HN 0.039 8.374 8.180 0.259 0.000 0.539 473 N N 8.227 126.512 118.700 -0.690 0.000 2.569 473 N HA 0.337 nan 4.740 nan 0.000 0.254 473 N C -1.714 173.219 175.510 -0.963 0.000 1.004 473 N CA -3.185 49.489 53.050 -0.625 0.000 0.904 473 N CB 1.636 39.910 38.487 -0.356 0.000 1.165 473 N HN -0.002 7.919 8.380 -0.766 0.000 0.513 474 P HA -0.189 nan 4.420 nan 0.000 0.218 474 P C -0.030 177.079 177.300 -0.320 0.000 1.146 474 P CA 2.038 64.819 63.100 -0.532 0.000 0.820 474 P CB 0.247 31.844 31.700 -0.171 0.000 0.778 475 T N -8.302 106.082 114.554 -0.283 0.000 3.035 475 T HA -0.005 nan 4.350 nan 0.000 0.259 475 T C 1.174 175.770 174.700 -0.172 0.000 1.078 475 T CA 0.853 62.851 62.100 -0.169 0.000 1.132 475 T CB 0.178 68.971 68.868 -0.125 0.000 0.900 475 T HN -0.317 7.918 8.240 -0.320 -0.186 0.480 476 Q N 2.649 122.298 119.800 -0.252 0.000 2.123 476 Q HA -0.158 nan 4.340 nan 0.000 0.196 476 Q C 1.174 177.055 176.000 -0.198 0.000 0.958 476 Q CA 0.488 56.173 55.803 -0.197 0.000 0.841 476 Q CB 1.392 30.008 28.738 -0.203 0.000 0.915 476 Q HN -0.456 7.686 8.270 -0.338 -0.075 0.455 477 G N 0.266 108.822 108.800 -0.407 0.000 2.542 477 G HA2 -0.392 nan 3.960 nan 0.000 0.235 477 G HA3 -0.392 nan 3.960 nan 0.000 0.235 477 G C -1.683 173.196 174.900 -0.036 0.000 1.286 477 G CA -0.433 44.485 45.100 -0.304 0.000 0.904 477 G HN -0.204 7.704 8.290 -0.636 0.000 0.577 478 Y N 0.889 121.297 120.300 0.179 0.000 2.650 478 Y HA -0.059 nan 4.550 nan 0.000 0.331 478 Y C 1.129 177.104 175.900 0.125 0.000 1.165 478 Y CA -0.082 58.180 58.100 0.271 0.000 1.473 478 Y CB 0.231 38.845 38.460 0.257 0.000 1.224 478 Y HN -0.097 8.459 8.280 0.460 0.000 0.533 479 T N 2.385 116.839 114.554 -0.166 0.000 3.065 479 T HA 0.096 nan 4.350 nan 0.000 0.252 479 T C 0.738 175.156 174.700 -0.471 0.000 1.099 479 T CA -1.268 60.690 62.100 -0.237 0.000 1.063 479 T CB 0.422 69.225 68.868 -0.109 0.000 0.948 479 T HN 0.486 8.723 8.240 -0.004 0.000 0.506 480 G N 0.986 109.113 108.800 -1.121 0.000 2.232 480 G HA2 -0.305 nan 3.960 nan 0.000 0.226 480 G HA3 -0.305 nan 3.960 nan 0.000 0.226 480 G C -0.890 173.706 174.900 -0.507 0.000 0.996 480 G CA -0.346 44.192 45.100 -0.937 0.000 0.626 480 G HN -0.065 7.065 8.290 -1.853 0.048 0.509 481 N N 0.367 118.851 118.700 -0.360 0.000 2.669 481 N HA -0.449 nan 4.740 nan 0.000 0.266 481 N C 0.573 175.963 175.510 -0.200 0.000 1.024 481 N CA 0.739 53.675 53.050 -0.191 0.000 0.766 481 N CB -1.491 36.931 38.487 -0.108 0.000 0.898 481 N HN -0.333 7.734 8.380 -0.386 0.081 0.548 482 A N -2.030 120.693 122.820 -0.162 0.000 2.019 482 A HA -0.300 nan 4.320 nan 0.000 0.219 482 A C 0.048 177.530 177.584 -0.170 0.000 1.164 482 A CA 2.692 54.659 52.037 -0.116 0.000 0.644 482 A CB -0.082 18.888 19.000 -0.050 0.000 0.805 482 A HN 0.470 8.530 8.150 -0.150 0.000 0.449 483 N N -5.322 113.264 118.700 -0.191 0.000 2.268 483 N HA -0.008 nan 4.740 nan 0.000 0.204 483 N C -1.554 173.768 175.510 -0.313 0.000 1.124 483 N CA -0.272 52.674 53.050 -0.175 0.000 0.838 483 N CB 0.632 39.081 38.487 -0.063 0.000 0.994 483 N HN -0.112 8.137 8.380 -0.164 0.033 0.489 484 L N 0.896 121.826 121.223 -0.488 0.000 2.298 484 L HA 0.337 nan 4.340 nan 0.000 0.284 484 L C -2.413 174.148 176.870 -0.515 0.000 1.013 484 L CA -0.633 53.984 54.840 -0.372 0.000 0.824 484 L CB 1.716 43.593 42.059 -0.303 0.000 1.221 484 L HN -0.655 7.217 8.230 -0.487 0.066 0.418 485 H N 6.314 125.423 119.070 0.065 0.000 2.637 485 H HA 0.563 nan 4.556 nan 0.000 0.363 485 H C -2.345 172.941 175.328 -0.070 0.000 1.131 485 H CA -1.295 54.753 56.048 -0.001 0.000 1.183 485 H CB 3.926 33.675 29.762 -0.023 0.000 1.637 485 H HN 0.732 9.035 8.280 0.039 0.000 0.531 486 V N 1.873 121.667 119.914 -0.201 0.000 2.612 486 V HA 0.407 nan 4.120 nan 0.000 0.301 486 V C -1.306 174.566 176.094 -0.371 0.000 1.046 486 V CA -2.404 59.460 62.300 -0.727 0.000 0.946 486 V CB 1.336 32.552 31.823 -1.013 0.000 1.003 486 V HN 0.108 8.519 8.190 -0.125 -0.296 0.459 487 K N 7.080 127.240 120.400 -0.400 0.000 2.443 487 K HA 0.368 nan 4.320 nan 0.000 0.252 487 K C -1.665 174.824 176.600 -0.185 0.000 0.933 487 K CA -2.741 53.433 56.287 -0.188 0.000 0.792 487 K CB 2.948 35.371 32.500 -0.129 0.000 1.185 487 K HN 0.551 8.422 8.250 -0.632 0.000 0.425 488 V N 4.105 123.948 119.914 -0.118 0.000 2.408 488 V HA 0.317 nan 4.120 nan 0.000 0.267 488 V C 0.503 176.481 176.094 -0.193 0.000 1.047 488 V CA 0.701 62.877 62.300 -0.206 0.000 0.937 488 V CB -0.860 30.751 31.823 -0.353 0.000 0.999 488 V HN 0.325 8.479 8.190 -0.060 0.000 0.472 489 V N 9.254 129.070 119.914 -0.164 0.000 2.346 489 V HA -0.056 nan 4.120 nan 0.000 0.244 489 V C 0.108 176.141 176.094 -0.101 0.000 1.037 489 V CA 2.340 64.585 62.300 -0.091 0.000 1.029 489 V CB 0.403 32.204 31.823 -0.038 0.000 0.663 489 V HN 0.733 8.733 8.190 -0.156 0.096 0.454 490 N N -4.745 113.848 118.700 -0.178 0.000 2.591 490 N HA 0.145 nan 4.740 nan 0.000 0.263 490 N C -2.934 172.395 175.510 -0.301 0.000 1.308 490 N CA -0.759 52.212 53.050 -0.132 0.000 0.837 490 N CB 1.747 40.228 38.487 -0.009 0.000 1.548 490 N HN -0.649 7.609 8.380 -0.202 0.000 0.493 491 Y N -1.984 118.276 120.300 -0.067 0.000 2.534 491 Y HA 0.699 nan 4.550 nan 0.000 0.329 491 Y C 0.216 176.065 175.900 -0.086 0.000 1.154 491 Y CA -0.956 57.081 58.100 -0.105 0.000 1.192 491 Y CB 2.542 40.921 38.460 -0.134 0.000 1.275 491 Y HN 0.157 8.590 8.280 0.254 0.000 0.491 492 G N -1.429 107.401 108.800 0.050 0.000 2.619 492 G HA2 0.273 nan 3.960 nan 0.000 0.305 492 G HA3 0.273 nan 3.960 nan 0.000 0.305 492 G C -2.585 172.252 174.900 -0.105 0.000 1.330 492 G CA -0.055 45.033 45.100 -0.019 0.000 0.789 492 G HN 0.128 8.447 8.290 0.049 0.000 0.487 493 T N 1.425 115.879 114.554 -0.166 0.000 3.532 493 T HA 0.216 nan 4.350 nan 0.000 0.241 493 T C -1.430 173.138 174.700 -0.219 0.000 1.238 493 T CA -0.641 61.249 62.100 -0.350 0.000 1.405 493 T CB -0.233 68.304 68.868 -0.552 0.000 0.971 493 T HN 0.033 8.203 8.240 -0.117 0.000 0.640 494 D N 2.831 123.211 120.400 -0.035 0.000 2.346 494 D HA 0.009 nan 4.640 nan 0.000 0.260 494 D C 0.720 177.049 176.300 0.048 0.000 1.252 494 D CA -0.156 53.873 54.000 0.049 0.000 0.895 494 D CB 0.073 41.007 40.800 0.223 0.000 1.097 494 D HN -0.263 8.115 8.370 0.013 0.000 0.489 495 L N 5.507 126.686 121.223 -0.073 0.000 2.141 495 L HA -0.222 nan 4.340 nan 0.000 0.209 495 L C 1.335 178.210 176.870 0.008 0.000 1.094 495 L CA 1.989 56.781 54.840 -0.080 0.000 0.763 495 L CB -0.162 41.751 42.059 -0.242 0.000 0.908 495 L HN 0.254 8.403 8.230 -0.135 0.000 0.437 496 G N -1.710 107.057 108.800 -0.055 0.000 2.394 496 G HA2 -0.282 nan 3.960 nan 0.000 0.214 496 G HA3 -0.282 nan 3.960 nan 0.000 0.214 496 G C 0.986 176.147 174.900 0.436 0.000 1.176 496 G CA 2.075 47.164 45.100 -0.018 0.000 0.786 496 G HN -0.209 8.142 8.290 -0.112 -0.128 0.533 497 C N 2.696 122.255 119.300 0.431 0.000 2.429 497 C HA -0.219 nan 4.460 nan 0.000 0.277 497 C C 2.227 177.443 174.990 0.376 0.000 1.262 497 C CA 3.480 62.729 59.018 0.384 0.000 1.733 497 C CB -1.845 26.095 27.740 0.332 0.000 2.010 497 C HN -0.214 8.568 8.230 0.372 -0.329 0.483 498 A N -0.688 122.327 122.820 0.325 0.000 1.933 498 A HA -0.292 nan 4.320 nan 0.000 0.218 498 A C 1.861 179.600 177.584 0.258 0.000 1.175 498 A CA 3.479 55.682 52.037 0.276 0.000 0.628 498 A CB -0.898 18.284 19.000 0.303 0.000 0.814 498 A HN 0.269 8.593 8.150 0.291 0.000 0.444 499 S N -1.128 114.755 115.700 0.306 0.000 2.368 499 S HA -0.294 nan 4.470 nan 0.000 0.224 499 S C 2.112 176.917 174.600 0.341 0.000 1.029 499 S CA 4.108 62.511 58.200 0.339 0.000 0.988 499 S CB -0.504 62.934 63.200 0.396 0.000 0.838 499 S HN -0.363 8.034 8.310 0.299 0.092 0.462 500 S N 2.058 118.016 115.700 0.430 0.000 2.382 500 S HA -0.217 nan 4.470 nan 0.000 0.228 500 S C 1.915 176.751 174.600 0.393 0.000 1.027 500 S CA 3.147 61.631 58.200 0.473 0.000 0.991 500 S CB -0.217 63.367 63.200 0.640 0.000 0.823 500 S HN -0.325 8.267 8.310 0.470 0.000 0.469 501 L N 1.795 123.243 121.223 0.375 0.000 2.017 501 L HA -0.256 nan 4.340 nan 0.000 0.208 501 L C 0.920 177.976 176.870 0.310 0.000 1.073 501 L CA 2.899 57.970 54.840 0.384 0.000 0.745 501 L CB -0.697 41.587 42.059 0.375 0.000 0.894 501 L HN 0.026 8.384 8.230 0.372 0.095 0.432 502 A N -1.481 121.480 122.820 0.236 0.000 1.908 502 A HA -0.454 nan 4.320 nan 0.000 0.218 502 A C 1.989 179.691 177.584 0.198 0.000 1.181 502 A CA 3.329 55.469 52.037 0.172 0.000 0.627 502 A CB -1.100 17.967 19.000 0.111 0.000 0.818 502 A HN 0.135 8.354 8.150 0.237 0.073 0.445 503 N N -2.330 116.506 118.700 0.225 0.000 2.069 503 N HA -0.299 nan 4.740 nan 0.000 0.191 503 N C 2.106 177.819 175.510 0.338 0.000 1.031 503 N CA 3.400 56.593 53.050 0.239 0.000 0.852 503 N CB -0.103 38.539 38.487 0.259 0.000 1.018 503 N HN -0.124 8.396 8.380 0.244 0.007 0.423 504 T N 3.394 118.161 114.554 0.354 0.000 2.708 504 T HA -0.281 nan 4.350 nan 0.000 0.266 504 T C 2.348 177.297 174.700 0.414 0.000 1.037 504 T CA 5.005 67.323 62.100 0.363 0.000 1.146 504 T CB -0.352 68.705 68.868 0.315 0.000 0.865 504 T HN -0.200 8.247 8.240 0.344 0.000 0.435 505 L N -0.671 120.790 121.223 0.396 0.000 2.131 505 L HA -0.404 nan 4.340 nan 0.000 0.210 505 L C 1.996 179.081 176.870 0.358 0.000 1.092 505 L CA 3.483 58.564 54.840 0.402 0.000 0.759 505 L CB -0.604 41.638 42.059 0.304 0.000 0.903 505 L HN 0.245 8.696 8.230 0.368 0.000 0.435 506 T N 2.707 117.424 114.554 0.272 0.000 2.701 506 T HA -0.293 nan 4.350 nan 0.000 0.263 506 T C 2.024 176.830 174.700 0.177 0.000 1.040 506 T CA 5.165 67.389 62.100 0.207 0.000 1.147 506 T CB -0.538 68.392 68.868 0.103 0.000 0.865 506 T HN -0.083 8.203 8.240 0.260 0.110 0.426 507 Y N 1.500 121.892 120.300 0.154 0.000 2.145 507 Y HA -0.422 nan 4.550 nan 0.000 0.286 507 Y C 1.658 177.713 175.900 0.258 0.000 1.145 507 Y CA 4.101 62.242 58.100 0.069 0.000 1.148 507 Y CB -0.344 38.145 38.460 0.047 0.000 0.981 507 Y HN -0.384 8.057 8.280 0.268 0.000 0.507 508 Y N -0.202 120.341 120.300 0.406 0.000 2.145 508 Y HA -0.578 nan 4.550 nan 0.000 0.286 508 Y C 1.358 177.484 175.900 0.377 0.000 1.145 508 Y CA 3.259 61.619 58.100 0.433 0.000 1.148 508 Y CB -0.145 38.543 38.460 0.379 0.000 0.981 508 Y HN -0.149 8.501 8.280 0.618 0.000 0.507 509 A N -1.807 121.151 122.820 0.230 0.000 1.933 509 A HA -0.448 nan 4.320 nan 0.000 0.218 509 A C 1.892 179.603 177.584 0.212 0.000 1.175 509 A CA 2.924 55.042 52.037 0.135 0.000 0.628 509 A CB -1.198 17.932 19.000 0.217 0.000 0.814 509 A HN 0.247 8.530 8.150 0.402 0.107 0.444 510 A N -1.719 121.259 122.820 0.264 0.000 1.933 510 A HA -0.268 nan 4.320 nan 0.000 0.218 510 A C 1.482 179.096 177.584 0.051 0.000 1.175 510 A CA 2.778 54.843 52.037 0.047 0.000 0.628 510 A CB -0.405 18.501 19.000 -0.157 0.000 0.814 510 A HN -0.012 8.299 8.150 0.288 0.012 0.444 511 K N -1.114 119.330 120.400 0.075 0.000 2.099 511 K HA -0.090 nan 4.320 nan 0.000 0.203 511 K C 2.333 178.874 176.600 -0.099 0.000 1.047 511 K CA 1.351 57.576 56.287 -0.103 0.000 0.963 511 K CB 0.509 32.760 32.500 -0.415 0.000 0.759 511 K HN -0.381 7.848 8.250 0.139 0.104 0.451 512 S N -2.966 112.694 115.700 -0.066 0.000 2.470 512 S HA -0.049 nan 4.470 nan 0.000 0.225 512 S C 1.661 176.233 174.600 -0.047 0.000 1.006 512 S CA 1.114 59.280 58.200 -0.058 0.000 0.934 512 S CB 1.807 64.793 63.200 -0.358 0.000 0.778 512 S HN -0.040 8.206 8.310 -0.106 0.000 0.517 513 G N 2.320 111.101 108.800 -0.031 0.000 2.159 513 G HA2 -0.341 nan 3.960 nan 0.000 0.256 513 G HA3 -0.341 nan 3.960 nan 0.000 0.256 513 G C -1.030 173.888 174.900 0.031 0.000 0.977 513 G CA 0.242 45.359 45.100 0.028 0.000 0.652 513 G HN -0.043 8.126 8.290 -0.036 0.099 0.531 514 D N 1.098 121.488 120.400 -0.016 0.000 2.349 514 D HA -0.130 nan 4.640 nan 0.000 0.266 514 D C 0.591 176.934 176.300 0.071 0.000 1.293 514 D CA 0.069 54.095 54.000 0.045 0.000 0.926 514 D CB 0.696 41.549 40.800 0.089 0.000 1.090 514 D HN -0.554 7.691 8.370 -0.117 0.056 0.502 515 E N 6.157 126.394 120.200 0.061 0.000 2.110 515 E HA -0.282 nan 4.350 nan 0.000 0.193 515 E C 1.770 178.392 176.600 0.037 0.000 0.988 515 E CA 2.965 59.387 56.400 0.038 0.000 0.804 515 E CB -0.002 29.716 29.700 0.030 0.000 0.745 515 E HN 0.387 8.783 8.360 0.060 0.000 0.458 516 T N 2.228 116.821 114.554 0.066 0.000 2.720 516 T HA -0.221 nan 4.350 nan 0.000 0.268 516 T C 2.418 177.172 174.700 0.089 0.000 1.037 516 T CA 4.204 66.346 62.100 0.070 0.000 1.144 516 T CB -0.607 68.312 68.868 0.085 0.000 0.864 516 T HN -0.051 8.235 8.240 0.078 0.000 0.444 517 S N 2.093 117.881 115.700 0.147 0.000 2.368 517 S HA -0.214 nan 4.470 nan 0.000 0.224 517 S C 1.447 176.113 174.600 0.109 0.000 1.029 517 S CA 3.722 62.039 58.200 0.196 0.000 0.988 517 S CB -0.438 62.994 63.200 0.387 0.000 0.838 517 S HN -0.265 8.372 8.310 0.166 -0.227 0.462 518 R N 1.459 121.976 120.500 0.028 0.000 2.073 518 R HA -0.377 nan 4.340 nan 0.000 0.234 518 R C 2.152 178.379 176.300 -0.120 0.000 1.134 518 R CA 3.438 59.459 56.100 -0.132 0.000 0.952 518 R CB -0.017 30.093 30.300 -0.317 0.000 0.850 518 R HN -0.526 7.773 8.270 0.048 0.000 0.433 519 Q N -2.580 117.171 119.800 -0.083 0.000 2.230 519 Q HA -0.246 nan 4.340 nan 0.000 0.202 519 Q C 2.499 178.440 176.000 -0.099 0.000 0.963 519 Q CA 2.871 58.613 55.803 -0.102 0.000 0.866 519 Q CB -0.601 28.085 28.738 -0.086 0.000 0.931 519 Q HN 0.216 8.455 8.270 -0.051 0.000 0.452 520 N N 1.257 119.947 118.700 -0.015 0.000 2.171 520 N HA -0.232 nan 4.740 nan 0.000 0.184 520 N C 1.929 177.462 175.510 0.039 0.000 1.021 520 N CA 2.675 55.766 53.050 0.067 0.000 0.854 520 N CB -0.539 38.028 38.487 0.134 0.000 0.994 520 N HN -0.467 7.903 8.380 0.011 0.016 0.426 521 A N 0.125 122.948 122.820 0.005 0.000 1.877 521 A HA -0.287 nan 4.320 nan 0.000 0.216 521 A C 1.966 179.436 177.584 -0.190 0.000 1.186 521 A CA 3.303 55.325 52.037 -0.025 0.000 0.620 521 A CB -0.824 18.198 19.000 0.038 0.000 0.822 521 A HN -0.115 8.046 8.150 0.019 0.000 0.443 522 Q N -1.562 118.048 119.800 -0.316 0.000 2.079 522 Q HA -0.316 nan 4.340 nan 0.000 0.200 522 Q C 2.298 178.136 176.000 -0.270 0.000 0.974 522 Q CA 3.350 58.836 55.803 -0.527 0.000 0.840 522 Q CB -0.085 28.344 28.738 -0.516 0.000 0.898 522 Q HN -0.211 7.925 8.270 -0.223 0.000 0.430 523 K N -0.016 120.250 120.400 -0.223 0.000 2.097 523 K HA -0.299 nan 4.320 nan 0.000 0.206 523 K C 2.697 179.242 176.600 -0.091 0.000 1.049 523 K CA 3.349 59.477 56.287 -0.265 0.000 0.933 523 K CB -0.221 31.883 32.500 -0.660 0.000 0.717 523 K HN -0.245 7.876 8.250 -0.215 0.000 0.442 524 L N -0.732 120.471 121.223 -0.033 0.000 2.027 524 L HA -0.346 nan 4.340 nan 0.000 0.206 524 L C 1.971 178.831 176.870 -0.017 0.000 1.074 524 L CA 3.162 57.922 54.840 -0.133 0.000 0.745 524 L CB -0.201 41.760 42.059 -0.164 0.000 0.898 524 L HN -0.013 8.182 8.230 -0.037 0.013 0.433 525 L N -1.440 119.798 121.223 0.026 0.000 2.046 525 L HA -0.508 nan 4.340 nan 0.000 0.208 525 L C 2.331 179.388 176.870 0.312 0.000 1.077 525 L CA 3.253 58.207 54.840 0.191 0.000 0.747 525 L CB -0.721 41.319 42.059 -0.033 0.000 0.896 525 L HN -0.210 7.975 8.230 -0.074 0.000 0.432 526 D N -0.895 119.612 120.400 0.179 0.000 2.097 526 D HA -0.261 nan 4.640 nan 0.000 0.197 526 D C 2.275 178.747 176.300 0.287 0.000 0.984 526 D CA 3.475 57.606 54.000 0.220 0.000 0.826 526 D CB -0.582 40.274 40.800 0.093 0.000 0.973 526 D HN 0.172 8.574 8.370 0.053 0.000 0.460 527 A N -0.292 122.676 122.820 0.247 0.000 1.902 527 A HA -0.263 nan 4.320 nan 0.000 0.217 527 A C 2.306 180.189 177.584 0.497 0.000 1.181 527 A CA 3.116 55.366 52.037 0.356 0.000 0.623 527 A CB -0.625 18.643 19.000 0.447 0.000 0.818 527 A HN -0.019 8.230 8.150 0.164 0.000 0.443 528 M N -2.486 117.389 119.600 0.457 0.000 2.132 528 M HA -0.362 nan 4.480 nan 0.000 0.263 528 M C 1.959 178.443 176.300 0.307 0.000 1.065 528 M CA 3.933 59.461 55.300 0.379 0.000 1.122 528 M CB 0.051 32.681 32.600 0.049 0.000 1.365 528 M HN -0.469 8.036 8.290 0.359 0.000 0.411 529 W N -0.092 121.368 121.300 0.268 0.000 2.354 529 W HA -0.439 nan 4.660 nan 0.000 0.315 529 W C 1.513 178.118 176.519 0.143 0.000 1.206 529 W CA 3.570 61.072 57.345 0.263 0.000 1.290 529 W CB 0.194 29.822 29.460 0.279 0.000 1.152 529 W HN -0.221 8.350 8.180 0.652 0.000 0.489 530 N N -1.666 117.186 118.700 0.254 0.000 2.216 530 N HA -0.212 nan 4.740 nan 0.000 0.183 530 N C 1.468 176.950 175.510 -0.048 0.000 1.017 530 N CA 2.624 55.721 53.050 0.079 0.000 0.861 530 N CB 0.040 38.627 38.487 0.165 0.000 0.986 530 N HN -0.066 8.568 8.380 0.423 0.000 0.428 531 N N -2.386 116.294 118.700 -0.033 0.000 2.197 531 N HA 0.102 nan 4.740 nan 0.000 0.201 531 N C -0.353 174.845 175.510 -0.520 0.000 1.148 531 N CA 0.903 53.782 53.050 -0.285 0.000 0.883 531 N CB 1.819 40.075 38.487 -0.386 0.000 1.012 531 N HN -0.109 8.345 8.380 0.123 0.000 0.507 532 Y N -2.874 117.370 120.300 -0.093 0.000 2.588 532 Y HA 0.083 nan 4.550 nan 0.000 0.247 532 Y C -1.328 174.463 175.900 -0.182 0.000 1.157 532 Y CA -0.843 57.178 58.100 -0.133 0.000 1.215 532 Y CB 0.954 39.334 38.460 -0.133 0.000 1.245 532 Y HN -0.597 7.731 8.280 0.080 0.000 0.534 533 S N 0.922 116.542 115.700 -0.133 0.000 2.576 533 S HA -0.008 nan 4.470 nan 0.000 0.276 533 S C -0.533 173.986 174.600 -0.135 0.000 1.339 533 S CA 1.782 59.857 58.200 -0.208 0.000 1.039 533 S CB 0.515 63.442 63.200 -0.455 0.000 0.902 533 S HN -0.410 7.795 8.310 -0.175 0.000 0.516 534 D N 2.610 122.961 120.400 -0.081 0.000 2.664 534 D HA 0.281 nan 4.640 nan 0.000 0.292 534 D C 0.030 176.312 176.300 -0.031 0.000 1.214 534 D CA -0.594 53.386 54.000 -0.034 0.000 0.932 534 D CB 0.756 41.582 40.800 0.043 0.000 1.420 534 D HN 0.132 8.459 8.370 -0.073 0.000 0.471 535 S N -2.374 113.309 115.700 -0.029 0.000 2.469 535 S HA -0.172 nan 4.470 nan 0.000 0.238 535 S C 0.623 175.205 174.600 -0.029 0.000 0.998 535 S CA 2.643 60.822 58.200 -0.035 0.000 0.957 535 S CB -0.041 63.134 63.200 -0.041 0.000 0.764 535 S HN 0.140 8.434 8.310 -0.026 0.000 0.514 536 K N -0.748 119.626 120.400 -0.043 0.000 2.358 536 K HA 0.189 nan 4.320 nan 0.000 0.200 536 K C -0.593 176.093 176.600 0.144 0.000 1.030 536 K CA -0.371 55.882 56.287 -0.055 0.000 1.097 536 K CB 0.933 33.147 32.500 -0.478 0.000 0.862 536 K HN -0.365 8.060 8.250 -0.025 -0.190 0.534 537 G N -1.794 107.086 108.800 0.134 0.000 1.930 537 G HA2 -0.133 nan 3.960 nan 0.000 0.054 537 G HA3 -0.133 nan 3.960 nan 0.000 0.054 537 G C -2.827 172.126 174.900 0.088 0.000 0.902 537 G CA 0.019 45.213 45.100 0.157 0.000 1.168 537 G HN -0.426 7.906 8.290 0.077 0.004 0.383 538 I N -0.929 119.680 120.570 0.065 0.000 2.865 538 I HA 0.882 nan 4.170 nan 0.000 0.302 538 I C -2.741 173.322 176.117 -0.089 0.000 1.140 538 I CA -1.820 59.438 61.300 -0.071 0.000 1.021 538 I CB 4.062 41.867 38.000 -0.326 0.000 1.233 538 I HN 0.148 8.769 8.210 0.126 -0.337 0.427 539 S N 1.590 117.231 115.700 -0.098 0.000 2.615 539 S HA 0.308 nan 4.470 nan 0.000 0.268 539 S C -1.959 172.611 174.600 -0.049 0.000 1.146 539 S CA -0.901 57.182 58.200 -0.196 0.000 0.818 539 S CB 2.799 65.768 63.200 -0.386 0.000 1.111 539 S HN 0.256 8.554 8.310 -0.020 0.000 0.465 540 T N -0.324 114.176 114.554 -0.089 0.000 2.792 540 T HA 0.115 nan 4.350 nan 0.000 0.303 540 T C -2.149 172.514 174.700 -0.062 0.000 1.310 540 T CA -0.487 61.613 62.100 0.001 0.000 1.007 540 T CB 2.764 71.648 68.868 0.026 0.000 1.335 540 T HN 0.177 8.314 8.240 -0.172 0.000 0.504 541 V N 2.215 122.105 119.914 -0.041 0.000 2.432 541 V HA 0.384 nan 4.120 nan 0.000 0.275 541 V C -1.010 175.049 176.094 -0.059 0.000 1.043 541 V CA -0.856 61.411 62.300 -0.055 0.000 0.925 541 V CB 0.160 31.955 31.823 -0.045 0.000 0.985 541 V HN 0.189 8.370 8.190 -0.015 0.000 0.466 542 E N 6.619 126.777 120.200 -0.070 0.000 2.343 542 E HA 0.447 nan 4.350 nan 0.000 0.270 542 E C -1.397 175.154 176.600 -0.083 0.000 0.895 542 E CA -2.185 54.174 56.400 -0.069 0.000 0.767 542 E CB 3.430 33.091 29.700 -0.066 0.000 1.248 542 E HN 0.693 9.008 8.360 -0.075 0.000 0.440 543 Q N 0.437 120.193 119.800 -0.075 0.000 2.288 543 Q HA 0.162 nan 4.340 nan 0.000 0.254 543 Q C 0.095 176.015 176.000 -0.134 0.000 0.932 543 Q CA 0.068 55.817 55.803 -0.090 0.000 0.902 543 Q CB 1.020 29.724 28.738 -0.057 0.000 1.203 543 Q HN 0.424 8.660 8.270 -0.057 0.000 0.415 544 R N 4.998 125.364 120.500 -0.224 0.000 2.937 544 R HA 0.285 nan 4.340 nan 0.000 0.264 544 R C 0.706 176.888 176.300 -0.196 0.000 1.334 544 R CA -2.457 53.405 56.100 -0.396 0.000 1.516 544 R CB -1.967 27.690 30.300 -1.072 0.000 1.187 544 R HN 0.712 8.860 8.270 -0.203 0.000 0.609 545 G N 1.862 110.626 108.800 -0.060 0.000 2.501 545 G HA2 -0.299 nan 3.960 nan 0.000 0.220 545 G HA3 -0.299 nan 3.960 nan 0.000 0.220 545 G C -0.538 174.428 174.900 0.109 0.000 1.114 545 G CA 1.529 46.649 45.100 0.033 0.000 0.757 545 G HN -0.142 8.113 8.290 -0.059 0.000 0.559 546 D N -0.223 120.220 120.400 0.072 0.000 2.349 546 D HA 0.076 nan 4.640 nan 0.000 0.214 546 D C 1.483 177.579 176.300 -0.339 0.000 1.063 546 D CA 0.802 54.730 54.000 -0.119 0.000 0.847 546 D CB -0.108 40.713 40.800 0.035 0.000 0.933 546 D HN -0.438 7.932 8.370 0.073 0.044 0.513 547 Y N -0.102 120.100 120.300 -0.165 0.000 2.465 547 Y HA -0.344 nan 4.550 nan 0.000 0.289 547 Y C 1.660 177.456 175.900 -0.175 0.000 1.150 547 Y CA 1.452 59.527 58.100 -0.042 0.000 1.293 547 Y CB -1.383 37.203 38.460 0.209 0.000 0.977 547 Y HN -0.489 7.899 8.280 0.263 0.049 0.556 548 H N -2.752 116.275 119.070 -0.072 0.000 2.489 548 H HA -0.248 nan 4.556 nan 0.000 0.293 548 H C 1.751 176.944 175.328 -0.225 0.000 1.066 548 H CA 2.924 58.905 56.048 -0.112 0.000 1.305 548 H CB -0.723 28.976 29.762 -0.104 0.000 1.386 548 H HN 0.048 8.278 8.280 -0.007 0.046 0.551 549 R N -1.027 118.833 120.500 -1.067 0.000 2.237 549 R HA -0.274 nan 4.340 nan 0.000 0.219 549 R C 2.440 178.364 176.300 -0.628 0.000 1.080 549 R CA 2.094 57.574 56.100 -1.035 0.000 0.995 549 R CB -0.734 28.472 30.300 -1.822 0.000 0.875 549 R HN -0.127 7.112 8.270 -1.470 0.149 0.462 550 F N 0.401 120.007 119.950 -0.573 0.000 2.126 550 F HA -0.354 nan 4.527 nan 0.000 0.299 550 F C 0.686 176.598 175.800 0.187 0.000 1.096 550 F CA 4.557 62.518 58.000 -0.064 0.000 1.255 550 F CB 0.167 39.173 39.000 0.009 0.000 0.997 550 F HN -0.203 7.684 8.300 -0.403 0.171 0.479 551 L N -5.400 115.989 121.223 0.277 0.000 2.408 551 L HA -0.175 nan 4.340 nan 0.000 0.215 551 L C 0.116 177.084 176.870 0.163 0.000 1.081 551 L CA 1.285 56.268 54.840 0.239 0.000 0.840 551 L CB 0.394 42.553 42.059 0.166 0.000 1.002 551 L HN -0.762 7.563 8.230 0.168 0.007 0.468 552 D N -6.308 114.150 120.400 0.098 0.000 2.398 552 D HA -0.003 nan 4.640 nan 0.000 0.210 552 D C -0.006 176.341 176.300 0.078 0.000 1.094 552 D CA -0.763 53.292 54.000 0.091 0.000 0.839 552 D CB 0.667 41.526 40.800 0.098 0.000 0.963 552 D HN -0.592 7.804 8.370 0.043 0.000 0.506 553 Q N 0.665 120.502 119.800 0.061 0.000 2.337 553 Q HA -0.021 nan 4.340 nan 0.000 0.255 553 Q C -0.974 175.131 176.000 0.175 0.000 0.997 553 Q CA -0.924 54.931 55.803 0.087 0.000 0.925 553 Q CB 0.548 29.313 28.738 0.045 0.000 1.212 553 Q HN -0.735 7.565 8.270 0.051 0.000 0.436 554 E N 5.135 125.426 120.200 0.153 0.000 2.338 554 E HA 0.198 nan 4.350 nan 0.000 0.272 554 E C -0.918 175.798 176.600 0.193 0.000 1.029 554 E CA -0.507 55.990 56.400 0.162 0.000 0.872 554 E CB 1.323 31.107 29.700 0.139 0.000 1.015 554 E HN 0.172 8.609 8.360 0.128 0.000 0.417 555 V N 6.750 126.775 119.914 0.185 0.000 2.398 555 V HA 0.159 nan 4.120 nan 0.000 0.286 555 V C -1.232 174.965 176.094 0.172 0.000 1.026 555 V CA -1.128 61.288 62.300 0.194 0.000 0.868 555 V CB 0.804 32.725 31.823 0.164 0.000 0.982 555 V HN 0.336 8.622 8.190 0.160 0.000 0.443 556 F N 8.858 128.855 119.950 0.079 0.000 2.495 556 F HA 0.084 nan 4.527 nan 0.000 0.365 556 F C -1.586 174.218 175.800 0.007 0.000 1.090 556 F CA 0.919 58.952 58.000 0.053 0.000 1.235 556 F CB 1.103 40.142 39.000 0.065 0.000 1.119 556 F HN 0.194 8.706 8.300 0.354 0.000 0.562 557 V N 8.824 128.207 119.914 -0.885 0.000 2.577 557 V HA 0.249 nan 4.120 nan 0.000 0.303 557 V C -2.170 173.317 176.094 -1.013 0.000 1.042 557 V CA -3.470 58.415 62.300 -0.692 0.000 0.872 557 V CB 2.539 34.188 31.823 -0.291 0.000 0.998 557 V HN 0.142 7.733 8.190 -0.998 0.000 0.423 558 P HA -0.002 nan 4.420 nan 0.000 0.266 558 P C -1.377 175.852 177.300 -0.119 0.000 1.193 558 P CA 0.069 62.989 63.100 -0.299 0.000 0.770 558 P CB 0.406 32.087 31.700 -0.031 0.000 0.836 559 A N 2.983 125.786 122.820 -0.028 0.000 2.545 559 A HA -0.281 nan 4.320 nan 0.000 0.253 559 A C 0.999 178.612 177.584 0.049 0.000 1.074 559 A CA 1.373 53.417 52.037 0.012 0.000 0.760 559 A CB -0.530 18.496 19.000 0.043 0.000 1.005 559 A HN 0.365 8.533 8.150 0.030 0.000 0.506 560 G N 3.646 112.469 108.800 0.038 0.000 2.217 560 G HA2 -0.390 nan 3.960 nan 0.000 0.246 560 G HA3 -0.390 nan 3.960 nan 0.000 0.246 560 G C -0.794 174.131 174.900 0.041 0.000 0.990 560 G CA -0.458 44.660 45.100 0.030 0.000 0.627 560 G HN 0.493 8.795 8.290 0.019 0.000 0.522 561 W N 3.808 125.050 121.300 -0.097 0.000 2.311 561 W HA -0.056 nan 4.660 nan 0.000 0.310 561 W C -1.981 174.463 176.519 -0.124 0.000 1.274 561 W CA 0.431 57.708 57.345 -0.114 0.000 1.215 561 W CB 0.832 30.213 29.460 -0.131 0.000 1.227 561 W HN -0.476 7.751 8.180 0.208 0.078 0.523 562 T N 2.434 116.739 114.554 -0.415 0.000 2.900 562 T HA 0.692 nan 4.350 nan 0.000 0.295 562 T C -1.967 172.290 174.700 -0.738 0.000 1.044 562 T CA -2.011 59.908 62.100 -0.302 0.000 0.995 562 T CB 3.415 72.162 68.868 -0.202 0.000 1.072 562 T HN -0.177 7.606 8.240 -0.762 0.000 0.473 563 G N 0.088 108.679 108.800 -0.349 0.000 2.619 563 G HA2 0.506 nan 3.960 nan 0.000 0.305 563 G HA3 0.506 nan 3.960 nan 0.000 0.305 563 G C -3.009 171.847 174.900 -0.074 0.000 1.330 563 G CA 0.492 45.380 45.100 -0.353 0.000 0.789 563 G HN 0.132 8.385 8.290 -0.062 0.000 0.487 564 K N -1.433 118.944 120.400 -0.038 0.000 2.498 564 K HA 0.755 nan 4.320 nan 0.000 0.254 564 K C -1.217 175.468 176.600 0.142 0.000 0.933 564 K CA -1.182 55.130 56.287 0.041 0.000 0.806 564 K CB 4.300 36.808 32.500 0.013 0.000 1.301 564 K HN 0.085 8.163 8.250 -0.090 0.118 0.432 565 M N 1.304 120.984 119.600 0.134 0.000 2.202 565 M HA 0.319 nan 4.480 nan 0.000 0.316 565 M C -0.310 176.012 176.300 0.036 0.000 1.138 565 M CA -2.216 53.168 55.300 0.140 0.000 1.151 565 M CB -1.672 30.935 32.600 0.013 0.000 1.422 565 M HN 0.588 8.925 8.290 0.079 0.000 0.471 566 P HA -0.205 nan 4.420 nan 0.000 0.217 566 P C -0.466 176.760 177.300 -0.123 0.000 1.148 566 P CA 2.395 65.401 63.100 -0.157 0.000 0.828 566 P CB -0.041 31.278 31.700 -0.634 0.000 0.783 567 N N -4.236 114.339 118.700 -0.208 0.000 2.461 567 N HA -0.095 nan 4.740 nan 0.000 0.188 567 N C 1.147 176.586 175.510 -0.119 0.000 1.134 567 N CA -0.374 52.561 53.050 -0.191 0.000 0.878 567 N CB -1.094 37.218 38.487 -0.293 0.000 0.972 567 N HN 0.070 8.265 8.380 -0.268 0.025 0.456 568 G N 0.141 108.899 108.800 -0.069 0.000 2.213 568 G HA2 -0.362 nan 3.960 nan 0.000 0.226 568 G HA3 -0.362 nan 3.960 nan 0.000 0.226 568 G C -0.641 174.234 174.900 -0.042 0.000 0.992 568 G CA -0.236 44.838 45.100 -0.044 0.000 0.632 568 G HN -0.113 7.955 8.290 -0.052 0.190 0.511 569 D N 2.939 123.304 120.400 -0.059 0.000 2.531 569 D HA -0.118 nan 4.640 nan 0.000 0.239 569 D C 0.037 176.337 176.300 -0.000 0.000 1.144 569 D CA 1.521 55.496 54.000 -0.041 0.000 0.869 569 D CB 0.598 41.361 40.800 -0.061 0.000 1.160 569 D HN -0.377 8.180 8.370 -0.092 -0.242 0.484 570 V N 3.660 123.577 119.914 0.004 0.000 2.488 570 V HA 0.223 nan 4.120 nan 0.000 0.277 570 V C 0.313 176.439 176.094 0.053 0.000 1.046 570 V CA 0.059 62.370 62.300 0.018 0.000 0.986 570 V CB 0.241 32.065 31.823 0.002 0.000 0.989 570 V HN 0.330 8.516 8.190 -0.005 0.000 0.475 571 I N 9.590 130.218 120.570 0.097 0.000 2.312 571 I HA 0.278 nan 4.170 nan 0.000 0.290 571 I C -1.712 174.512 176.117 0.178 0.000 1.008 571 I CA -0.394 61.003 61.300 0.161 0.000 1.226 571 I CB 0.254 38.430 38.000 0.294 0.000 1.371 571 I HN 0.823 8.972 8.210 0.086 0.113 0.468 572 K N 3.783 124.247 120.400 0.107 0.000 2.607 572 K HA 0.307 nan 4.320 nan 0.000 0.287 572 K C -0.850 175.758 176.600 0.014 0.000 0.996 572 K CA -1.300 55.033 56.287 0.077 0.000 0.876 572 K CB 2.412 34.938 32.500 0.043 0.000 1.496 572 K HN -0.005 8.291 8.250 0.077 0.000 0.415 573 S N 1.337 117.021 115.700 -0.028 0.000 2.593 573 S HA -0.350 nan 4.470 nan 0.000 0.300 573 S C 1.122 175.716 174.600 -0.010 0.000 1.267 573 S CA 2.884 61.043 58.200 -0.068 0.000 1.065 573 S CB -0.539 62.614 63.200 -0.078 0.000 0.807 573 S HN 0.707 9.008 8.310 -0.014 0.000 0.499 574 G N 2.461 111.266 108.800 0.008 0.000 2.232 574 G HA2 -0.417 nan 3.960 nan 0.000 0.226 574 G HA3 -0.417 nan 3.960 nan 0.000 0.226 574 G C -1.267 173.668 174.900 0.059 0.000 0.996 574 G CA -0.022 45.102 45.100 0.040 0.000 0.626 574 G HN 0.526 8.814 8.290 -0.004 0.000 0.509 575 V N -2.883 117.065 119.914 0.057 0.000 2.963 575 V HA 0.209 nan 4.120 nan 0.000 0.306 575 V C -0.063 176.099 176.094 0.114 0.000 1.077 575 V CA -1.060 61.287 62.300 0.078 0.000 1.124 575 V CB -0.267 31.597 31.823 0.070 0.000 0.987 575 V HN -0.507 7.644 8.190 0.038 0.061 0.487 576 K N 1.444 121.930 120.400 0.143 0.000 2.245 576 K HA 0.539 nan 4.320 nan 0.000 0.234 576 K C 0.773 177.531 176.600 0.264 0.000 1.021 576 K CA -2.638 53.773 56.287 0.206 0.000 0.898 576 K CB 1.850 34.479 32.500 0.215 0.000 1.163 576 K HN -0.021 8.636 8.250 0.130 -0.330 0.459 577 F N 2.208 122.273 119.950 0.191 0.000 2.091 577 F HA -0.370 nan 4.527 nan 0.000 0.299 577 F C 2.057 178.013 175.800 0.259 0.000 1.103 577 F CA 3.957 62.096 58.000 0.232 0.000 1.228 577 F CB 0.427 39.602 39.000 0.292 0.000 0.984 577 F HN -0.169 8.406 8.300 0.459 0.000 0.477 578 I N -2.311 118.553 120.570 0.490 0.000 2.493 578 I HA -0.392 nan 4.170 nan 0.000 0.254 578 I C 1.423 177.624 176.117 0.140 0.000 1.160 578 I CA 1.724 63.246 61.300 0.370 0.000 1.445 578 I CB -0.333 37.958 38.000 0.485 0.000 1.086 578 I HN -0.437 8.125 8.210 0.587 0.000 0.433 579 D N -0.353 120.122 120.400 0.125 0.000 2.218 579 D HA -0.183 nan 4.640 nan 0.000 0.204 579 D C 1.298 177.604 176.300 0.010 0.000 0.976 579 D CA 3.165 57.203 54.000 0.062 0.000 0.853 579 D CB -0.141 40.705 40.800 0.077 0.000 0.939 579 D HN -0.298 8.047 8.370 0.176 0.130 0.481 580 I N -8.946 111.618 120.570 -0.011 0.000 3.904 580 I HA 0.163 nan 4.170 nan 0.000 0.333 580 I C -0.422 175.635 176.117 -0.099 0.000 1.361 580 I CA -0.879 60.400 61.300 -0.034 0.000 1.116 580 I CB 0.317 38.322 38.000 0.008 0.000 1.028 580 I HN -0.982 7.199 8.210 -0.007 0.025 0.398 581 R N -0.626 119.796 120.500 -0.129 0.000 2.647 581 R HA 0.293 nan 4.340 nan 0.000 0.295 581 R C 0.624 176.817 176.300 -0.178 0.000 1.267 581 R CA -0.929 55.044 56.100 -0.212 0.000 1.386 581 R CB 0.407 30.660 30.300 -0.079 0.000 1.309 581 R HN -0.510 7.523 8.270 -0.078 0.190 0.692 582 S N 1.478 117.048 115.700 -0.216 0.000 2.469 582 S HA -0.261 nan 4.470 nan 0.000 0.238 582 S C 1.381 175.823 174.600 -0.263 0.000 0.998 582 S CA 3.221 61.300 58.200 -0.203 0.000 0.957 582 S CB -0.136 62.967 63.200 -0.162 0.000 0.764 582 S HN 0.316 8.844 8.310 -0.221 -0.351 0.514 583 K N 2.712 122.883 120.400 -0.380 0.000 2.362 583 K HA -0.246 nan 4.320 nan 0.000 0.200 583 K C 2.472 179.029 176.600 -0.071 0.000 1.046 583 K CA 2.386 58.465 56.287 -0.346 0.000 0.952 583 K CB -0.569 31.496 32.500 -0.726 0.000 0.753 583 K HN -0.047 7.838 8.250 -0.523 0.051 0.466 584 Y N 0.026 120.284 120.300 -0.070 0.000 2.403 584 Y HA -0.305 nan 4.550 nan 0.000 0.291 584 Y C 1.758 177.322 175.900 -0.559 0.000 1.143 584 Y CA 1.685 59.753 58.100 -0.053 0.000 1.257 584 Y CB -0.471 38.012 38.460 0.038 0.000 0.984 584 Y HN -0.295 7.940 8.280 -0.005 0.042 0.550 585 K N -2.400 117.595 120.400 -0.674 0.000 2.442 585 K HA -0.287 nan 4.320 nan 0.000 0.198 585 K C 0.972 177.353 176.600 -0.365 0.000 1.042 585 K CA 1.928 57.578 56.287 -1.062 0.000 0.958 585 K CB -0.556 31.513 32.500 -0.718 0.000 0.766 585 K HN -0.678 7.151 8.250 -0.470 0.139 0.474 586 Q N -3.893 115.818 119.800 -0.148 0.000 2.360 586 Q HA 0.050 nan 4.340 nan 0.000 0.202 586 Q C -0.122 175.918 176.000 0.066 0.000 0.915 586 Q CA -0.245 55.547 55.803 -0.020 0.000 0.943 586 Q CB 0.337 29.060 28.738 -0.025 0.000 1.064 586 Q HN -0.587 7.423 8.270 -0.147 0.172 0.511 587 D N 0.720 121.200 120.400 0.134 0.000 2.414 587 D HA 0.071 nan 4.640 nan 0.000 0.242 587 D C -0.160 176.240 176.300 0.165 0.000 1.129 587 D CA -1.214 52.896 54.000 0.184 0.000 0.885 587 D CB 1.338 42.329 40.800 0.319 0.000 1.198 587 D HN -0.656 7.598 8.370 0.108 0.181 0.437 588 P HA -0.116 nan 4.420 nan 0.000 0.220 588 P C -0.038 177.314 177.300 0.086 0.000 1.148 588 P CA 1.698 64.842 63.100 0.074 0.000 0.803 588 P CB 0.372 32.091 31.700 0.032 0.000 0.782 589 E N -4.081 116.181 120.200 0.104 0.000 2.474 589 E HA 0.048 nan 4.350 nan 0.000 0.194 589 E C 1.147 177.790 176.600 0.071 0.000 1.041 589 E CA 0.125 56.569 56.400 0.073 0.000 0.874 589 E CB 0.338 30.076 29.700 0.063 0.000 0.914 589 E HN -0.185 8.540 8.360 0.118 -0.294 0.498 590 W N 2.123 123.392 121.300 -0.052 0.000 2.317 590 W HA -0.494 nan 4.660 nan 0.000 0.318 590 W C 1.176 177.645 176.519 -0.085 0.000 1.227 590 W CA 4.076 61.361 57.345 -0.099 0.000 1.269 590 W CB 0.183 29.614 29.460 -0.048 0.000 1.155 590 W HN -0.330 7.866 8.180 0.316 0.173 0.484 591 Q N -3.940 115.855 119.800 -0.009 0.000 2.124 591 Q HA -0.331 nan 4.340 nan 0.000 0.202 591 Q C 2.639 178.540 176.000 -0.165 0.000 0.977 591 Q CA 2.929 58.673 55.803 -0.098 0.000 0.850 591 Q CB -1.173 27.579 28.738 0.023 0.000 0.901 591 Q HN 0.415 8.789 8.270 0.174 0.000 0.429 592 T N 3.019 117.503 114.554 -0.116 0.000 2.746 592 T HA -0.279 nan 4.350 nan 0.000 0.267 592 T C 2.236 176.838 174.700 -0.164 0.000 1.039 592 T CA 4.434 66.471 62.100 -0.106 0.000 1.142 592 T CB -0.572 68.261 68.868 -0.057 0.000 0.866 592 T HN -0.115 8.075 8.240 -0.066 0.011 0.444 593 M N 1.687 121.140 119.600 -0.244 0.000 2.077 593 M HA -0.310 nan 4.480 nan 0.000 0.261 593 M C 1.711 177.783 176.300 -0.381 0.000 1.070 593 M CA 3.505 58.628 55.300 -0.294 0.000 1.125 593 M CB -0.107 32.246 32.600 -0.412 0.000 1.339 593 M HN -0.214 7.928 8.290 -0.247 0.000 0.409 594 V N -1.322 118.238 119.914 -0.590 0.000 2.407 594 V HA -0.461 nan 4.120 nan 0.000 0.248 594 V C 1.599 177.540 176.094 -0.255 0.000 1.055 594 V CA 4.323 66.326 62.300 -0.496 0.000 1.049 594 V CB -1.323 30.133 31.823 -0.613 0.000 0.662 594 V HN 0.058 7.791 8.190 -0.761 0.000 0.455 595 A N -1.490 121.206 122.820 -0.206 0.000 1.908 595 A HA -0.364 nan 4.320 nan 0.000 0.218 595 A C 1.714 179.238 177.584 -0.101 0.000 1.181 595 A CA 3.360 55.324 52.037 -0.122 0.000 0.627 595 A CB -0.918 18.024 19.000 -0.096 0.000 0.818 595 A HN 0.029 8.034 8.150 -0.241 0.000 0.445 596 A N -1.428 121.326 122.820 -0.110 0.000 1.877 596 A HA -0.282 nan 4.320 nan 0.000 0.216 596 A C 2.027 179.568 177.584 -0.072 0.000 1.186 596 A CA 2.910 54.900 52.037 -0.079 0.000 0.620 596 A CB -0.816 18.141 19.000 -0.072 0.000 0.822 596 A HN -0.576 7.493 8.150 -0.136 0.000 0.443 597 L N -2.799 118.370 121.223 -0.090 0.000 2.083 597 L HA -0.428 nan 4.340 nan 0.000 0.209 597 L C 3.289 180.125 176.870 -0.058 0.000 1.083 597 L CA 2.822 57.622 54.840 -0.066 0.000 0.752 597 L CB -0.538 41.474 42.059 -0.080 0.000 0.899 597 L HN -0.289 7.864 8.230 -0.127 0.000 0.433 598 Q N -0.939 118.819 119.800 -0.069 0.000 2.124 598 Q HA -0.256 nan 4.340 nan 0.000 0.202 598 Q C 1.523 177.498 176.000 -0.041 0.000 0.977 598 Q CA 2.507 58.280 55.803 -0.050 0.000 0.850 598 Q CB -0.524 28.182 28.738 -0.053 0.000 0.901 598 Q HN 0.066 8.183 8.270 -0.092 0.099 0.429 599 A N -3.704 119.089 122.820 -0.045 0.000 2.259 599 A HA 0.087 nan 4.320 nan 0.000 0.208 599 A C -0.161 177.401 177.584 -0.036 0.000 1.201 599 A CA -0.290 51.724 52.037 -0.038 0.000 0.824 599 A CB -0.107 18.870 19.000 -0.039 0.000 0.838 599 A HN -0.395 7.611 8.150 -0.054 0.112 0.485 600 G N -1.500 107.277 108.800 -0.039 0.000 2.176 600 G HA2 -0.448 nan 3.960 nan 0.000 0.252 600 G HA3 -0.448 nan 3.960 nan 0.000 0.252 600 G C -0.558 174.318 174.900 -0.039 0.000 1.024 600 G CA 0.256 45.332 45.100 -0.040 0.000 0.755 600 G HN -0.368 7.690 8.290 -0.041 0.208 0.507 601 Q N -1.439 118.338 119.800 -0.039 0.000 2.215 601 Q HA 0.169 nan 4.340 nan 0.000 0.256 601 Q C -0.725 175.255 176.000 -0.032 0.000 0.972 601 Q CA -1.398 54.383 55.803 -0.037 0.000 0.889 601 Q CB 2.734 31.449 28.738 -0.038 0.000 1.281 601 Q HN -0.154 8.059 8.270 -0.041 0.032 0.456 602 V N 3.385 123.281 119.914 -0.030 0.000 2.461 602 V HA 0.252 nan 4.120 nan 0.000 0.275 602 V C -1.716 174.357 176.094 -0.036 0.000 1.047 602 V CA -2.178 60.108 62.300 -0.024 0.000 0.955 602 V CB -0.009 31.798 31.823 -0.026 0.000 0.988 602 V HN 0.360 8.530 8.190 -0.033 0.000 0.471 603 P HA 0.066 nan 4.420 nan 0.000 0.269 603 P C -1.877 175.374 177.300 -0.082 0.000 1.209 603 P CA 0.090 63.165 63.100 -0.041 0.000 0.776 603 P CB 0.885 32.596 31.700 0.018 0.000 0.876 604 T N -3.754 110.759 114.554 -0.070 0.000 2.916 604 T HA 0.656 nan 4.350 nan 0.000 0.292 604 T C -1.537 173.124 174.700 -0.065 0.000 1.055 604 T CA -2.381 59.672 62.100 -0.080 0.000 1.009 604 T CB 2.356 71.188 68.868 -0.060 0.000 1.118 604 T HN -0.048 8.161 8.240 -0.052 0.000 0.497 605 Q N -0.922 118.836 119.800 -0.071 0.000 2.456 605 Q HA 0.320 nan 4.340 nan 0.000 0.284 605 Q C -2.203 173.763 176.000 -0.057 0.000 1.061 605 Q CA -0.981 54.797 55.803 -0.043 0.000 0.799 605 Q CB 5.070 33.794 28.738 -0.022 0.000 1.445 605 Q HN 0.561 8.779 8.270 -0.087 0.000 0.411 606 R N 2.894 123.364 120.500 -0.051 0.000 2.310 606 R HA 0.593 nan 4.340 nan 0.000 0.316 606 R C -1.447 174.770 176.300 -0.138 0.000 1.004 606 R CA -0.598 55.444 56.100 -0.096 0.000 0.900 606 R CB 0.711 30.977 30.300 -0.057 0.000 1.152 606 R HN 0.510 8.765 8.270 -0.025 0.000 0.513 607 L N 5.372 126.473 121.223 -0.204 0.000 2.334 607 L HA 0.310 nan 4.340 nan 0.000 0.275 607 L C -0.519 176.108 176.870 -0.404 0.000 1.036 607 L CA -1.084 53.640 54.840 -0.193 0.000 0.807 607 L CB 1.977 43.990 42.059 -0.077 0.000 1.231 607 L HN 0.205 8.319 8.230 -0.194 0.000 0.438 608 H N 2.899 121.947 119.070 -0.037 0.000 2.530 608 H HA 0.282 nan 4.556 nan 0.000 0.246 608 H C -1.530 173.813 175.328 0.025 0.000 1.346 608 H CA -1.501 54.546 56.048 -0.002 0.000 1.424 608 H CB -0.201 29.556 29.762 -0.008 0.000 1.445 608 H HN 0.599 9.256 8.280 0.052 -0.346 0.511 609 R N 3.150 123.611 120.500 -0.066 0.000 2.347 609 R HA -0.090 nan 4.340 nan 0.000 0.304 609 R C 0.592 176.799 176.300 -0.155 0.000 1.072 609 R CA -0.312 55.664 56.100 -0.207 0.000 0.980 609 R CB 0.197 30.186 30.300 -0.518 0.000 0.986 609 R HN 0.290 8.457 8.270 -0.172 0.000 0.448 610 F N 7.452 127.330 119.950 -0.119 0.000 2.091 610 F HA -0.411 nan 4.527 nan 0.000 0.299 610 F C 0.867 176.598 175.800 -0.115 0.000 1.103 610 F CA 4.384 62.321 58.000 -0.106 0.000 1.228 610 F CB 0.610 39.553 39.000 -0.094 0.000 0.984 610 F HN 0.428 8.711 8.300 0.152 0.108 0.477 611 W N -3.167 118.029 121.300 -0.173 0.000 2.363 611 W HA -0.433 nan 4.660 nan 0.000 0.296 611 W C 0.606 176.869 176.519 -0.428 0.000 1.212 611 W CA 2.117 59.157 57.345 -0.507 0.000 1.260 611 W CB -1.339 27.817 29.460 -0.508 0.000 1.131 611 W HN 0.085 8.396 8.180 0.218 0.000 0.530 612 A N 1.252 123.549 122.820 -0.872 0.000 1.898 612 A HA -0.370 nan 4.320 nan 0.000 0.216 612 A C 2.611 180.030 177.584 -0.276 0.000 1.181 612 A CA 2.915 54.493 52.037 -0.766 0.000 0.620 612 A CB -0.875 17.555 19.000 -0.949 0.000 0.819 612 A HN -0.637 6.723 8.150 -1.158 0.095 0.442 613 Q N -1.397 118.231 119.800 -0.287 0.000 2.079 613 Q HA -0.309 nan 4.340 nan 0.000 0.200 613 Q C 2.809 178.729 176.000 -0.133 0.000 0.974 613 Q CA 2.537 58.240 55.803 -0.167 0.000 0.840 613 Q CB -0.557 28.008 28.738 -0.288 0.000 0.898 613 Q HN -0.101 7.943 8.270 -0.376 0.000 0.430 614 S N 0.908 116.430 115.700 -0.297 0.000 2.368 614 S HA -0.328 nan 4.470 nan 0.000 0.225 614 S C 2.051 176.705 174.600 0.090 0.000 1.030 614 S CA 4.117 62.247 58.200 -0.116 0.000 0.999 614 S CB -0.452 62.681 63.200 -0.112 0.000 0.844 614 S HN 0.072 8.083 8.310 -0.498 0.000 0.459 615 E N 2.572 122.859 120.200 0.145 0.000 2.085 615 E HA -0.307 nan 4.350 nan 0.000 0.194 615 E C 1.951 178.677 176.600 0.210 0.000 0.994 615 E CA 3.115 59.673 56.400 0.265 0.000 0.801 615 E CB -0.271 29.686 29.700 0.427 0.000 0.743 615 E HN -0.202 8.074 8.360 0.034 0.104 0.453 616 F N -0.141 119.848 119.950 0.064 0.000 2.146 616 F HA -0.297 nan 4.527 nan 0.000 0.298 616 F C 1.140 177.010 175.800 0.117 0.000 1.096 616 F CA 2.761 60.813 58.000 0.087 0.000 1.275 616 F CB -0.073 38.970 39.000 0.071 0.000 1.008 616 F HN -0.389 8.072 8.300 0.277 0.005 0.480 617 A N 0.098 122.920 122.820 0.005 0.000 1.858 617 A HA -0.346 nan 4.320 nan 0.000 0.216 617 A C 2.107 179.813 177.584 0.202 0.000 1.190 617 A CA 3.326 55.366 52.037 0.006 0.000 0.617 617 A CB -0.838 18.176 19.000 0.024 0.000 0.827 617 A HN -0.124 8.033 8.150 0.133 0.073 0.443 618 V N -0.879 119.102 119.914 0.111 0.000 2.332 618 V HA -0.490 nan 4.120 nan 0.000 0.248 618 V C 1.916 177.933 176.094 -0.129 0.000 1.055 618 V CA 4.247 66.495 62.300 -0.086 0.000 1.038 618 V CB -1.289 30.212 31.823 -0.537 0.000 0.651 618 V HN 0.437 8.567 8.190 0.080 0.108 0.450 619 A N -1.533 121.229 122.820 -0.096 0.000 1.940 619 A HA -0.417 nan 4.320 nan 0.000 0.219 619 A C 2.017 179.557 177.584 -0.074 0.000 1.176 619 A CA 3.411 55.414 52.037 -0.055 0.000 0.631 619 A CB -0.813 18.204 19.000 0.028 0.000 0.814 619 A HN 0.185 8.285 8.150 -0.066 0.010 0.446 620 N N -1.684 116.940 118.700 -0.127 0.000 2.142 620 N HA -0.268 nan 4.740 nan 0.000 0.186 620 N C 2.418 177.952 175.510 0.039 0.000 1.023 620 N CA 3.442 56.452 53.050 -0.067 0.000 0.852 620 N CB 0.032 38.429 38.487 -0.150 0.000 0.998 620 N HN -0.456 7.714 8.380 -0.191 0.095 0.424 621 G N 0.794 109.625 108.800 0.051 0.000 2.421 621 G HA2 -0.299 nan 3.960 nan 0.000 0.216 621 G HA3 -0.299 nan 3.960 nan 0.000 0.216 621 G C 1.481 176.344 174.900 -0.062 0.000 1.171 621 G CA 2.184 47.304 45.100 0.033 0.000 0.775 621 G HN -0.158 8.101 8.290 0.082 0.080 0.543 622 V N 3.074 122.900 119.914 -0.146 0.000 2.343 622 V HA -0.380 nan 4.120 nan 0.000 0.247 622 V C 1.284 177.240 176.094 -0.231 0.000 1.051 622 V CA 3.915 66.059 62.300 -0.261 0.000 1.036 622 V CB -0.783 30.866 31.823 -0.291 0.000 0.654 622 V HN 0.125 8.238 8.190 -0.127 0.000 0.451 623 Y N 0.564 120.730 120.300 -0.223 0.000 2.200 623 Y HA -0.524 nan 4.550 nan 0.000 0.290 623 Y C 1.225 177.044 175.900 -0.136 0.000 1.137 623 Y CA 4.100 62.077 58.100 -0.205 0.000 1.163 623 Y CB -0.098 38.115 38.460 -0.412 0.000 0.988 623 Y HN -0.417 7.867 8.280 0.007 0.000 0.518 624 A N -0.868 121.974 122.820 0.037 0.000 1.972 624 A HA -0.344 nan 4.320 nan 0.000 0.219 624 A C 2.171 179.726 177.584 -0.049 0.000 1.169 624 A CA 3.099 55.166 52.037 0.050 0.000 0.635 624 A CB -0.992 18.037 19.000 0.048 0.000 0.810 624 A HN -0.046 8.151 8.150 0.078 0.000 0.446 625 I N -2.415 118.088 120.570 -0.111 0.000 2.480 625 I HA -0.343 nan 4.170 nan 0.000 0.251 625 I C 1.149 177.110 176.117 -0.259 0.000 1.124 625 I CA 3.430 64.628 61.300 -0.169 0.000 1.444 625 I CB 0.239 38.095 38.000 -0.240 0.000 1.098 625 I HN -0.612 7.410 8.210 -0.120 0.116 0.428 626 L N -3.824 117.161 121.223 -0.396 0.000 2.341 626 L HA -0.100 nan 4.340 nan 0.000 0.214 626 L C 0.638 176.927 176.870 -0.967 0.000 1.115 626 L CA 1.829 56.298 54.840 -0.618 0.000 0.820 626 L CB 0.824 42.453 42.059 -0.716 0.000 0.944 626 L HN -0.563 7.441 8.230 -0.376 0.000 0.452 627 F N -2.246 117.421 119.950 -0.472 0.000 2.584 627 F HA 0.345 nan 4.527 nan 0.000 0.328 627 F C -2.493 173.146 175.800 -0.269 0.000 1.407 627 F CA -2.406 55.326 58.000 -0.447 0.000 1.145 627 F CB 0.102 38.608 39.000 -0.822 0.000 1.440 627 F HN -0.614 7.448 8.300 -0.396 0.000 0.580 628 P HA -0.199 nan 4.420 nan 0.000 0.216 628 P C -1.379 175.927 177.300 0.009 0.000 1.150 628 P CA 1.010 64.085 63.100 -0.041 0.000 0.843 628 P CB 0.059 31.722 31.700 -0.062 0.000 0.787 629 D N 0.000 120.412 120.400 0.020 0.000 6.856 629 D HA 0.000 nan 4.640 nan 0.000 0.175 629 D CA 0.000 54.025 54.000 0.041 0.000 0.868 629 D CB 0.000 40.818 40.800 0.030 0.000 0.688 629 D HN 0.000 8.347 8.370 0.002 0.024 0.683