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 3mkh_1_B DATA FIRST_RESID 2 DATA SEQUENCE AIDFHLSASQ KGTYQAARSL ARNLLMPARQ TYLQHPPNSP LRFQSTQPTY DATA SEQUENCE AAAVSAGILK GQISPAHGGT GGTLIESAIL VEECYSVEPS AALTIFATGL DATA SEQUENCE GLTPINLAAG PQHAEFLAPF LSGEGSPLAS LVFSEPGGVA NALEKGAPGF DATA SEQUENCE QTTARLEGDE WVINGEKMWA TNCAGWDFKG CDLACVVCRD ATTPLEEGQD DATA SEQUENCE PENKVMIILV TRADLDRNGE GSFEVLRHVA TPGHTSVSGP HVRYTNVRVP DATA SEQUENCE TKNVLCPAGQ GAKVAFGAFD GSAVLVGAMG VGLMRAAFDA ALKFAKEDNR DATA SEQUENCE GGAVPLLERQ AFADLLSGVK IQTEAARALT WKAAHAMENG PGDYDARREL DATA SEQUENCE ALAAKVFCSE AAVKACTDVI NAVGISAYDL QRPFSDLLNT AVVLPIFDGG DATA SEQUENCE NVGIRRRHLQ QLMLKPTYDA WSSTYG 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.523 177.584 -0.102 0.000 1.274 2 A CA 0.000 52.003 52.037 -0.056 0.000 0.836 2 A CB 0.000 18.978 19.000 -0.037 0.000 0.831 3 I N 2.199 122.713 120.570 -0.093 0.000 2.664 3 I HA 0.230 4.400 4.170 -0.000 0.000 0.284 3 I C -0.226 175.816 176.117 -0.126 0.000 1.154 3 I CA 0.965 62.185 61.300 -0.133 0.000 1.402 3 I CB 0.129 38.109 38.000 -0.033 0.000 1.395 3 I HN 0.537 nan 8.210 nan 0.000 0.545 4 D N 6.065 126.303 120.400 -0.270 0.000 2.970 4 D HA 0.276 4.916 4.640 -0.000 0.000 0.230 4 D C -0.438 175.686 176.300 -0.293 0.000 1.276 4 D CA -0.454 53.432 54.000 -0.191 0.000 0.910 4 D CB 1.167 41.876 40.800 -0.151 0.000 1.590 4 D HN 0.230 nan 8.370 nan 0.000 0.551 5 F N 0.862 120.775 119.950 -0.062 0.000 2.653 5 F HA 0.249 4.776 4.527 -0.000 0.000 0.304 5 F C 0.962 176.901 175.800 0.231 0.000 1.092 5 F CA -0.295 57.767 58.000 0.103 0.000 1.279 5 F CB 0.164 39.215 39.000 0.086 0.000 1.044 5 F HN 0.269 nan 8.300 nan 0.000 0.564 6 H N 0.946 120.122 119.070 0.177 0.000 2.722 6 H HA 0.242 4.798 4.556 -0.000 0.000 0.328 6 H C -0.200 175.163 175.328 0.058 0.000 1.067 6 H CA -1.055 55.063 56.048 0.118 0.000 1.447 6 H CB 1.010 30.816 29.762 0.073 0.000 1.469 6 H HN -0.150 nan 8.280 nan 0.000 0.544 7 L N 3.104 124.424 121.223 0.163 0.000 2.453 7 L HA -0.041 4.298 4.340 -0.000 0.000 0.272 7 L C 0.812 177.703 176.870 0.036 0.000 1.182 7 L CA 0.302 55.165 54.840 0.038 0.000 0.858 7 L CB 0.577 42.647 42.059 0.018 0.000 1.120 7 L HN 0.669 nan 8.230 nan 0.000 0.474 8 S N 2.190 117.892 115.700 0.003 0.000 2.584 8 S HA 0.314 4.784 4.470 -0.000 0.000 0.270 8 S C 1.415 176.023 174.600 0.013 0.000 1.346 8 S CA -0.230 57.976 58.200 0.009 0.000 1.018 8 S CB 0.865 64.061 63.200 -0.007 0.000 0.899 8 S HN 0.744 nan 8.310 nan 0.000 0.542 9 A N 1.618 124.448 122.820 0.017 0.000 1.958 9 A HA -0.127 4.193 4.320 -0.000 0.000 0.221 9 A C 2.493 180.090 177.584 0.022 0.000 1.178 9 A CA 2.335 54.385 52.037 0.021 0.000 0.642 9 A CB -1.612 17.399 19.000 0.018 0.000 0.816 9 A HN 1.026 nan 8.150 nan 0.000 0.453 10 S N -1.065 114.643 115.700 0.012 0.000 2.368 10 S HA -0.198 4.272 4.470 -0.000 0.000 0.224 10 S C 2.118 176.725 174.600 0.012 0.000 1.029 10 S CA 1.577 59.782 58.200 0.010 0.000 0.988 10 S CB -0.343 62.856 63.200 -0.001 0.000 0.838 10 S HN 0.695 nan 8.310 nan 0.000 0.462 11 Q N 0.242 120.040 119.800 -0.004 0.000 2.167 11 Q HA -0.006 4.334 4.340 -0.000 0.000 0.202 11 Q C 2.213 178.242 176.000 0.047 0.000 0.970 11 Q CA 1.136 56.929 55.803 -0.016 0.000 0.855 11 Q CB -0.042 28.645 28.738 -0.085 0.000 0.911 11 Q HN 0.504 nan 8.270 nan 0.000 0.438 12 K N -0.153 120.286 120.400 0.065 0.000 2.097 12 K HA -0.073 4.247 4.320 -0.000 0.000 0.205 12 K C 2.125 178.812 176.600 0.145 0.000 1.050 12 K CA 1.075 57.440 56.287 0.130 0.000 0.938 12 K CB -0.226 32.332 32.500 0.096 0.000 0.718 12 K HN 0.259 nan 8.250 nan 0.000 0.442 13 G N 0.837 109.688 108.800 0.085 0.000 2.440 13 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.218 13 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.218 13 G C 1.489 176.433 174.900 0.073 0.000 1.154 13 G CA 1.315 46.455 45.100 0.066 0.000 0.767 13 G HN 0.207 nan 8.290 nan 0.000 0.552 14 T N -0.105 114.498 114.554 0.082 0.000 2.708 14 T HA -0.175 4.175 4.350 -0.000 0.000 0.266 14 T C 1.968 176.754 174.700 0.143 0.000 1.037 14 T CA 1.362 63.514 62.100 0.088 0.000 1.146 14 T CB -0.348 68.557 68.868 0.062 0.000 0.865 14 T HN 0.329 nan 8.240 nan 0.000 0.435 15 Y N 2.170 122.498 120.300 0.046 0.000 2.097 15 Y HA -0.195 4.355 4.550 -0.000 0.000 0.282 15 Y C 2.574 178.516 175.900 0.070 0.000 1.152 15 Y CA 1.398 59.542 58.100 0.073 0.000 1.136 15 Y CB -0.522 37.989 38.460 0.085 0.000 0.975 15 Y HN 0.084 nan 8.280 nan 0.000 0.498 16 Q N -0.028 119.746 119.800 -0.043 0.000 2.124 16 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 16 Q C 2.550 178.496 176.000 -0.091 0.000 0.977 16 Q CA 1.454 57.173 55.803 -0.139 0.000 0.850 16 Q CB -0.884 27.839 28.738 -0.025 0.000 0.901 16 Q HN 0.619 nan 8.270 nan 0.000 0.429 17 A N 0.926 123.734 122.820 -0.020 0.000 1.930 17 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 17 A C 2.325 179.913 177.584 0.005 0.000 1.175 17 A CA 1.730 53.769 52.037 0.002 0.000 0.627 17 A CB -0.592 18.425 19.000 0.028 0.000 0.815 17 A HN 0.352 nan 8.150 nan 0.000 0.443 18 A N -0.027 122.801 122.820 0.014 0.000 1.902 18 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 18 A C 2.237 179.820 177.584 -0.002 0.000 1.181 18 A CA 1.564 53.630 52.037 0.049 0.000 0.623 18 A CB -0.469 18.599 19.000 0.112 0.000 0.818 18 A HN 0.551 nan 8.150 nan 0.000 0.443 19 R N -0.769 119.660 120.500 -0.119 0.000 2.081 19 R HA -0.106 4.234 4.340 -0.000 0.000 0.235 19 R C 2.647 178.915 176.300 -0.054 0.000 1.131 19 R CA 1.522 57.545 56.100 -0.129 0.000 0.960 19 R CB -0.429 29.713 30.300 -0.262 0.000 0.856 19 R HN 0.546 nan 8.270 nan 0.000 0.436 20 S N 0.762 116.434 115.700 -0.047 0.000 2.368 20 S HA -0.057 4.413 4.470 -0.000 0.000 0.224 20 S C 1.855 176.455 174.600 0.001 0.000 1.029 20 S CA 0.709 58.896 58.200 -0.021 0.000 0.988 20 S CB -0.203 62.987 63.200 -0.018 0.000 0.838 20 S HN 0.265 nan 8.310 nan 0.000 0.462 21 L N 1.725 122.957 121.223 0.015 0.000 2.012 21 L HA -0.029 4.311 4.340 -0.000 0.000 0.210 21 L C 2.529 179.422 176.870 0.038 0.000 1.073 21 L CA 2.493 57.353 54.840 0.033 0.000 0.748 21 L CB -1.892 40.201 42.059 0.057 0.000 0.891 21 L HN 0.415 nan 8.230 nan 0.000 0.431 22 A N 0.250 123.098 122.820 0.048 0.000 1.902 22 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 22 A C 2.492 180.091 177.584 0.026 0.000 1.181 22 A CA 1.746 53.813 52.037 0.052 0.000 0.623 22 A CB -0.624 18.419 19.000 0.072 0.000 0.818 22 A HN 0.553 nan 8.150 nan 0.000 0.443 23 R N -0.672 119.836 120.500 0.013 0.000 2.073 23 R HA -0.090 4.250 4.340 -0.000 0.000 0.229 23 R C 1.422 177.721 176.300 -0.001 0.000 1.120 23 R CA 1.690 57.792 56.100 0.002 0.000 0.967 23 R CB -0.170 30.128 30.300 -0.005 0.000 0.862 23 R HN 0.496 nan 8.270 nan 0.000 0.436 24 N N -0.431 118.270 118.700 0.001 0.000 2.402 24 N HA -0.027 4.713 4.740 -0.000 0.000 0.174 24 N C 1.175 176.686 175.510 0.001 0.000 1.027 24 N CA 0.639 53.688 53.050 -0.001 0.000 0.891 24 N CB 0.258 38.744 38.487 -0.002 0.000 1.016 24 N HN 0.142 nan 8.380 nan 0.000 0.439 25 L N 0.322 121.551 121.223 0.009 0.000 2.347 25 L HA 0.276 4.616 4.340 -0.000 0.000 0.196 25 L C 2.051 178.934 176.870 0.022 0.000 1.072 25 L CA 0.676 55.524 54.840 0.014 0.000 0.817 25 L CB -0.688 41.382 42.059 0.019 0.000 1.029 25 L HN -0.018 nan 8.230 nan 0.000 0.478 26 L N -1.503 119.736 121.223 0.027 0.000 2.109 26 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 26 L C 2.452 179.329 176.870 0.011 0.000 1.086 26 L CA 1.076 55.937 54.840 0.036 0.000 0.760 26 L CB -0.426 41.659 42.059 0.043 0.000 0.910 26 L HN 0.270 nan 8.230 nan 0.000 0.437 27 M N -0.247 119.349 119.600 -0.007 0.000 2.086 27 M HA -0.121 4.359 4.480 -0.000 0.000 0.261 27 M C -0.259 176.007 176.300 -0.057 0.000 1.067 27 M CA 2.009 57.288 55.300 -0.035 0.000 1.116 27 M CB -1.278 31.305 32.600 -0.029 0.000 1.348 27 M HN 0.081 nan 8.290 nan 0.000 0.407 28 P HA -0.079 nan 4.420 nan 0.000 0.218 28 P C 1.042 178.312 177.300 -0.050 0.000 1.149 28 P CA 1.664 64.737 63.100 -0.045 0.000 0.817 28 P CB -0.178 31.506 31.700 -0.026 0.000 0.785 29 A N -0.012 122.799 122.820 -0.016 0.000 1.933 29 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 29 A C 2.401 179.933 177.584 -0.087 0.000 1.175 29 A CA 1.991 54.047 52.037 0.032 0.000 0.628 29 A CB -1.043 18.032 19.000 0.125 0.000 0.814 29 A HN 0.038 nan 8.150 nan 0.000 0.444 30 R N -0.406 119.954 120.500 -0.233 0.000 2.066 30 R HA -0.112 4.228 4.340 -0.000 0.000 0.232 30 R C 2.192 178.133 176.300 -0.599 0.000 1.131 30 R CA 1.891 57.594 56.100 -0.661 0.000 0.955 30 R CB -0.512 29.575 30.300 -0.356 0.000 0.851 30 R HN 0.469 nan 8.270 nan 0.000 0.432 31 Q N -0.203 119.420 119.800 -0.295 0.000 2.135 31 Q HA -0.135 4.205 4.340 -0.000 0.000 0.204 31 Q C 2.019 177.909 176.000 -0.183 0.000 0.981 31 Q CA 2.180 57.859 55.803 -0.207 0.000 0.856 31 Q CB -0.479 28.183 28.738 -0.126 0.000 0.902 31 Q HN 0.430 nan 8.270 nan 0.000 0.425 32 T N 0.965 115.429 114.554 -0.150 0.000 2.701 32 T HA -0.149 4.201 4.350 -0.000 0.000 0.263 32 T C 1.691 176.393 174.700 0.004 0.000 1.040 32 T CA 1.613 63.677 62.100 -0.061 0.000 1.147 32 T CB -0.391 68.477 68.868 -0.000 0.000 0.865 32 T HN 0.532 nan 8.240 nan 0.000 0.426 33 Y N 0.627 120.960 120.300 0.055 0.000 2.457 33 Y HA 0.259 4.809 4.550 -0.000 0.000 0.292 33 Y C 1.749 177.701 175.900 0.086 0.000 1.125 33 Y CA -0.095 58.085 58.100 0.132 0.000 1.254 33 Y CB -0.912 37.640 38.460 0.153 0.000 1.012 33 Y HN -0.008 nan 8.280 nan 0.000 0.555 34 L N 1.202 122.392 121.223 -0.054 0.000 2.447 34 L HA -0.161 4.179 4.340 -0.000 0.000 0.225 34 L C 1.905 178.761 176.870 -0.024 0.000 1.148 34 L CA 1.321 56.150 54.840 -0.017 0.000 0.808 34 L CB -1.289 40.687 42.059 -0.139 0.000 0.928 34 L HN 0.458 nan 8.230 nan 0.000 0.448 35 Q N -1.666 118.069 119.800 -0.108 0.000 2.472 35 Q HA -0.019 4.321 4.340 -0.000 0.000 0.208 35 Q C -0.133 175.667 176.000 -0.334 0.000 0.958 35 Q CA 0.452 56.112 55.803 -0.240 0.000 0.932 35 Q CB 0.161 28.703 28.738 -0.326 0.000 1.007 35 Q HN 0.520 nan 8.270 nan 0.000 0.508 36 H N -0.578 118.543 119.070 0.085 0.000 2.621 36 H HA 0.347 4.903 4.556 -0.000 0.000 0.360 36 H C -2.379 173.001 175.328 0.086 0.000 1.163 36 H CA -2.664 53.433 56.048 0.082 0.000 1.194 36 H CB 1.145 30.966 29.762 0.098 0.000 1.649 36 H HN -0.136 nan 8.280 nan 0.000 0.532 37 P HA 0.036 nan 4.420 nan 0.000 0.269 37 P C -1.912 175.463 177.300 0.124 0.000 1.215 37 P CA -1.179 61.994 63.100 0.122 0.000 0.780 37 P CB 0.297 32.050 31.700 0.088 0.000 0.898 38 P HA -0.130 nan 4.420 nan 0.000 0.222 38 P C 0.678 178.020 177.300 0.070 0.000 1.147 38 P CA 1.400 64.557 63.100 0.095 0.000 0.790 38 P CB -0.266 31.479 31.700 0.076 0.000 0.780 39 N N -1.618 117.115 118.700 0.055 0.000 2.235 39 N HA 0.015 4.755 4.740 -0.000 0.000 0.209 39 N C -0.164 175.354 175.510 0.014 0.000 1.122 39 N CA -0.024 53.047 53.050 0.034 0.000 0.845 39 N CB -0.376 38.127 38.487 0.026 0.000 1.004 39 N HN -0.135 nan 8.380 nan 0.000 0.499 40 S N 1.122 116.840 115.700 0.030 0.000 2.475 40 S HA 0.379 4.849 4.470 -0.000 0.000 0.281 40 S C -1.704 172.890 174.600 -0.011 0.000 1.198 40 S CA -1.337 56.862 58.200 -0.001 0.000 1.063 40 S CB 1.185 64.404 63.200 0.030 0.000 0.972 40 S HN -0.066 nan 8.310 nan 0.000 0.486 41 P HA -0.041 nan 4.420 nan 0.000 0.226 41 P C 1.068 178.472 177.300 0.174 0.000 1.146 41 P CA 0.804 63.907 63.100 0.006 0.000 0.773 41 P CB 0.013 31.485 31.700 -0.380 0.000 0.772 42 L N -1.280 119.936 121.223 -0.012 0.000 2.265 42 L HA -0.147 4.193 4.340 -0.000 0.000 0.215 42 L C 2.593 179.369 176.870 -0.157 0.000 1.117 42 L CA 1.194 55.908 54.840 -0.210 0.000 0.782 42 L CB -0.568 41.103 42.059 -0.646 0.000 0.914 42 L HN -0.018 nan 8.230 nan 0.000 0.441 43 R N -0.304 120.216 120.500 0.032 0.000 2.080 43 R HA -0.223 4.117 4.340 -0.000 0.000 0.236 43 R C 2.328 178.721 176.300 0.155 0.000 1.137 43 R CA 2.055 58.247 56.100 0.154 0.000 0.943 43 R CB -0.659 29.678 30.300 0.061 0.000 0.846 43 R HN 0.231 nan 8.270 nan 0.000 0.431 44 F N 2.239 122.223 119.950 0.057 0.000 2.065 44 F HA -0.257 4.270 4.527 -0.000 0.000 0.298 44 F C 2.221 178.179 175.800 0.263 0.000 1.112 44 F CA 1.718 59.808 58.000 0.149 0.000 1.212 44 F CB -0.372 38.740 39.000 0.186 0.000 0.975 44 F HN 0.002 nan 8.300 nan 0.000 0.476 45 Q N -0.116 119.674 119.800 -0.016 0.000 2.170 45 Q HA -0.183 4.157 4.340 -0.000 0.000 0.203 45 Q C 2.397 178.270 176.000 -0.212 0.000 0.976 45 Q CA 1.879 57.565 55.803 -0.196 0.000 0.858 45 Q CB -0.439 28.236 28.738 -0.103 0.000 0.907 45 Q HN 0.599 nan 8.270 nan 0.000 0.433 46 S N 0.011 115.675 115.700 -0.060 0.000 2.507 46 S HA -0.092 4.378 4.470 -0.000 0.000 0.235 46 S C 1.890 176.479 174.600 -0.018 0.000 0.988 46 S CA 1.223 59.430 58.200 0.012 0.000 0.944 46 S CB -0.399 62.938 63.200 0.228 0.000 0.762 46 S HN 0.466 nan 8.310 nan 0.000 0.526 47 T N -1.412 113.130 114.554 -0.020 0.000 3.129 47 T HA 0.124 4.474 4.350 -0.000 0.000 0.251 47 T C 1.643 176.252 174.700 -0.153 0.000 1.117 47 T CA 0.519 62.642 62.100 0.039 0.000 1.034 47 T CB -0.291 68.701 68.868 0.208 0.000 0.968 47 T HN 0.553 nan 8.240 nan 0.000 0.526 48 Q N 1.879 121.292 119.800 -0.644 0.000 2.096 48 Q HA -0.062 4.278 4.340 -0.000 0.000 0.204 48 Q C -0.732 174.957 176.000 -0.520 0.000 0.982 48 Q CA 1.605 56.641 55.803 -1.279 0.000 0.850 48 Q CB -0.849 26.708 28.738 -1.968 0.000 0.901 48 Q HN 0.439 nan 8.270 nan 0.000 0.422 49 P HA -0.051 nan 4.420 nan 0.000 0.219 49 P C 0.952 178.219 177.300 -0.055 0.000 1.150 49 P CA 1.395 64.399 63.100 -0.160 0.000 0.814 49 P CB -0.068 31.556 31.700 -0.127 0.000 0.787 50 T N -1.369 113.178 114.554 -0.011 0.000 2.708 50 T HA -0.202 4.148 4.350 -0.000 0.000 0.266 50 T C 1.602 176.360 174.700 0.097 0.000 1.037 50 T CA 1.193 63.321 62.100 0.047 0.000 1.146 50 T CB -1.120 67.798 68.868 0.083 0.000 0.865 50 T HN 0.059 nan 8.240 nan 0.000 0.435 51 Y N 2.069 122.386 120.300 0.029 0.000 2.128 51 Y HA -0.154 4.396 4.550 -0.000 0.000 0.284 51 Y C 2.549 178.491 175.900 0.069 0.000 1.154 51 Y CA 1.212 59.382 58.100 0.116 0.000 1.149 51 Y CB -0.720 37.925 38.460 0.309 0.000 0.976 51 Y HN 0.191 nan 8.280 nan 0.000 0.505 52 A N 0.321 123.263 122.820 0.203 0.000 1.908 52 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 52 A C 2.422 180.020 177.584 0.022 0.000 1.181 52 A CA 2.110 54.206 52.037 0.099 0.000 0.627 52 A CB -1.559 17.447 19.000 0.009 0.000 0.818 52 A HN 0.619 nan 8.150 nan 0.000 0.445 53 A N -0.262 122.561 122.820 0.006 0.000 1.933 53 A HA 0.147 4.467 4.320 -0.000 0.000 0.218 53 A C 2.493 180.065 177.584 -0.019 0.000 1.175 53 A CA 2.113 54.146 52.037 -0.007 0.000 0.628 53 A CB -0.965 18.032 19.000 -0.005 0.000 0.814 53 A HN 1.078 nan 8.150 nan 0.000 0.444 54 A N -0.521 122.272 122.820 -0.044 0.000 1.902 54 A HA 0.001 4.321 4.320 -0.000 0.000 0.217 54 A C 2.226 179.760 177.584 -0.083 0.000 1.181 54 A CA 1.755 53.746 52.037 -0.077 0.000 0.623 54 A CB -0.968 17.944 19.000 -0.148 0.000 0.818 54 A HN 0.392 nan 8.150 nan 0.000 0.443 55 V N 0.138 119.987 119.914 -0.109 0.000 2.287 55 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 55 V C 2.768 178.858 176.094 -0.007 0.000 1.053 55 V CA 2.425 64.695 62.300 -0.051 0.000 1.027 55 V CB -0.932 30.895 31.823 0.006 0.000 0.646 55 V HN 0.568 nan 8.190 nan 0.000 0.447 56 S N 0.308 116.005 115.700 -0.004 0.000 2.400 56 S HA -0.130 4.340 4.470 -0.000 0.000 0.232 56 S C 1.921 176.524 174.600 0.004 0.000 1.025 56 S CA 1.289 59.490 58.200 0.003 0.000 0.993 56 S CB -0.407 62.793 63.200 -0.000 0.000 0.808 56 S HN 0.666 nan 8.310 nan 0.000 0.478 57 A N 0.220 123.040 122.820 0.000 0.000 2.238 57 A HA 0.501 4.821 4.320 -0.000 0.000 0.208 57 A C 1.593 179.185 177.584 0.014 0.000 1.177 57 A CA 0.714 52.755 52.037 0.007 0.000 0.804 57 A CB -0.728 18.276 19.000 0.007 0.000 0.823 57 A HN 0.859 nan 8.150 nan 0.000 0.482 58 G N -0.670 108.139 108.800 0.015 0.000 2.141 58 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.231 58 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.231 58 G C 0.785 175.705 174.900 0.035 0.000 0.984 58 G CA 0.268 45.384 45.100 0.027 0.000 0.660 58 G HN 0.267 nan 8.290 nan 0.000 0.525 59 I N -0.173 120.411 120.570 0.024 0.000 2.208 59 I HA -0.123 4.047 4.170 -0.000 0.000 0.245 59 I C 2.748 178.899 176.117 0.057 0.000 1.097 59 I CA 1.439 62.761 61.300 0.038 0.000 1.363 59 I CB -0.813 37.195 38.000 0.013 0.000 1.051 59 I HN 0.255 nan 8.210 nan 0.000 0.413 60 L N 0.546 121.805 121.223 0.060 0.000 2.109 60 L HA -0.115 4.224 4.340 -0.000 0.000 0.207 60 L C 2.424 179.365 176.870 0.118 0.000 1.086 60 L CA 1.534 56.447 54.840 0.121 0.000 0.760 60 L CB -0.916 41.267 42.059 0.207 0.000 0.910 60 L HN 0.176 nan 8.230 nan 0.000 0.437 61 K N -0.656 119.803 120.400 0.098 0.000 2.103 61 K HA -0.124 4.196 4.320 -0.000 0.000 0.207 61 K C 1.920 178.558 176.600 0.064 0.000 1.048 61 K CA 1.312 57.650 56.287 0.085 0.000 0.930 61 K CB -0.589 31.951 32.500 0.067 0.000 0.716 61 K HN 0.441 nan 8.250 nan 0.000 0.444 62 G N 0.769 109.603 108.800 0.056 0.000 2.625 62 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.214 62 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.214 62 G C 1.045 175.968 174.900 0.040 0.000 1.132 62 G CA 0.179 45.305 45.100 0.044 0.000 0.782 62 G HN 0.353 nan 8.290 nan 0.000 0.538 63 Q N -0.708 119.120 119.800 0.047 0.000 2.319 63 Q HA 0.325 4.665 4.340 -0.000 0.000 0.202 63 Q C -0.001 176.003 176.000 0.007 0.000 0.896 63 Q CA -0.047 55.773 55.803 0.028 0.000 0.942 63 Q CB 0.708 29.470 28.738 0.039 0.000 1.083 63 Q HN 0.419 nan 8.270 nan 0.000 0.510 64 I N 0.959 121.545 120.570 0.027 0.000 2.474 64 I HA 0.155 4.325 4.170 -0.000 0.000 0.294 64 I C 0.215 176.365 176.117 0.055 0.000 1.005 64 I CA -0.852 60.470 61.300 0.038 0.000 1.113 64 I CB 1.951 39.985 38.000 0.056 0.000 1.289 64 I HN -0.029 nan 8.210 nan 0.000 0.436 65 S N 5.167 120.914 115.700 0.078 0.000 2.585 65 S HA 0.264 4.734 4.470 -0.000 0.000 0.273 65 S C -1.977 172.639 174.600 0.028 0.000 1.339 65 S CA -0.941 57.283 58.200 0.040 0.000 1.028 65 S CB 0.961 64.174 63.200 0.022 0.000 0.906 65 S HN 0.386 nan 8.310 nan 0.000 0.528 66 P HA -0.069 nan 4.420 nan 0.000 0.218 66 P C 1.568 178.842 177.300 -0.045 0.000 1.148 66 P CA 1.776 64.869 63.100 -0.012 0.000 0.822 66 P CB -0.262 31.426 31.700 -0.021 0.000 0.784 67 A N -0.849 121.903 122.820 -0.114 0.000 1.986 67 A HA -0.241 4.079 4.320 -0.000 0.000 0.220 67 A C 1.542 178.970 177.584 -0.261 0.000 1.171 67 A CA 1.762 53.663 52.037 -0.228 0.000 0.640 67 A CB -1.707 17.073 19.000 -0.367 0.000 0.811 67 A HN 0.353 nan 8.150 nan 0.000 0.451 68 H N -2.531 116.544 119.070 0.008 0.000 2.542 68 H HA 0.388 4.944 4.556 -0.000 0.000 0.283 68 H C 1.362 176.707 175.328 0.028 0.000 1.059 68 H CA 0.361 56.421 56.048 0.020 0.000 1.162 68 H CB 0.528 30.301 29.762 0.019 0.000 1.539 68 H HN 0.619 nan 8.280 nan 0.000 0.543 69 G N 0.165 109.023 108.800 0.097 0.000 2.176 69 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.232 69 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.232 69 G C 0.747 175.690 174.900 0.071 0.000 0.986 69 G CA -0.116 45.029 45.100 0.074 0.000 0.643 69 G HN 0.663 nan 8.290 nan 0.000 0.522 70 G N -0.827 108.019 108.800 0.078 0.000 2.563 70 G HA2 0.573 4.533 3.960 -0.000 0.000 0.283 70 G HA3 0.573 4.533 3.960 -0.000 0.000 0.283 70 G C 1.188 176.113 174.900 0.042 0.000 1.309 70 G CA 1.068 46.207 45.100 0.066 0.000 1.022 70 G HN 1.055 nan 8.290 nan 0.000 0.501 71 T N -3.118 111.459 114.554 0.038 0.000 3.037 71 T HA 0.326 4.676 4.350 -0.000 0.000 0.252 71 T C 1.490 176.200 174.700 0.017 0.000 1.073 71 T CA 0.798 62.913 62.100 0.025 0.000 1.091 71 T CB -0.378 68.507 68.868 0.027 0.000 0.935 71 T HN 1.732 nan 8.240 nan 0.000 0.488 72 G N 1.107 109.919 108.800 0.020 0.000 2.862 72 G HA2 0.220 4.180 3.960 -0.000 0.000 0.334 72 G HA3 0.220 4.180 3.960 -0.000 0.000 0.334 72 G C 0.386 175.285 174.900 -0.003 0.000 0.154 72 G CA -0.113 44.992 45.100 0.009 0.000 1.240 72 G HN 0.799 nan 8.290 nan 0.000 0.465 73 G N 1.230 110.026 108.800 -0.007 0.000 2.736 73 G HA2 0.915 4.875 3.960 -0.000 0.000 0.229 73 G HA3 0.915 4.875 3.960 -0.000 0.000 0.229 73 G C 0.453 175.334 174.900 -0.033 0.000 1.380 73 G CA 0.392 45.481 45.100 -0.018 0.000 1.040 73 G HN 1.528 nan 8.290 nan 0.000 0.568 74 T N -1.871 112.656 114.554 -0.045 0.000 2.944 74 T HA 0.427 4.777 4.350 -0.000 0.000 0.284 74 T C 1.416 176.075 174.700 -0.067 0.000 1.010 74 T CA -0.740 61.323 62.100 -0.062 0.000 1.025 74 T CB 1.568 70.390 68.868 -0.077 0.000 1.079 74 T HN 0.187 nan 8.240 nan 0.000 0.516 75 L N 0.699 121.881 121.223 -0.069 0.000 2.131 75 L HA -0.009 4.331 4.340 -0.000 0.000 0.210 75 L C 2.542 179.361 176.870 -0.085 0.000 1.092 75 L CA 1.149 55.950 54.840 -0.065 0.000 0.759 75 L CB -0.459 41.570 42.059 -0.049 0.000 0.903 75 L HN 0.733 nan 8.230 nan 0.000 0.435 76 I N -0.350 120.148 120.570 -0.121 0.000 2.226 76 I HA -0.321 3.849 4.170 -0.000 0.000 0.245 76 I C 2.367 178.352 176.117 -0.221 0.000 1.100 76 I CA 1.445 62.612 61.300 -0.222 0.000 1.374 76 I CB -0.203 37.631 38.000 -0.275 0.000 1.057 76 I HN 0.286 nan 8.210 nan 0.000 0.413 77 E N 0.205 120.318 120.200 -0.144 0.000 2.072 77 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 77 E C 2.333 178.902 176.600 -0.051 0.000 0.985 77 E CA 1.394 57.739 56.400 -0.092 0.000 0.801 77 E CB -0.055 29.611 29.700 -0.057 0.000 0.750 77 E HN 0.342 nan 8.360 nan 0.000 0.452 78 S N 0.790 116.454 115.700 -0.060 0.000 2.370 78 S HA -0.210 4.260 4.470 -0.000 0.000 0.226 78 S C 2.129 176.686 174.600 -0.072 0.000 1.033 78 S CA 1.069 59.226 58.200 -0.073 0.000 1.011 78 S CB -0.237 62.907 63.200 -0.093 0.000 0.852 78 S HN 0.398 nan 8.310 nan 0.000 0.457 79 A N 1.263 124.057 122.820 -0.043 0.000 1.908 79 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 79 A C 2.070 179.729 177.584 0.124 0.000 1.181 79 A CA 1.311 53.371 52.037 0.039 0.000 0.627 79 A CB -0.712 18.351 19.000 0.105 0.000 0.818 79 A HN 0.493 nan 8.150 nan 0.000 0.445 80 I N -0.830 119.798 120.570 0.098 0.000 2.226 80 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 80 I C 2.434 178.680 176.117 0.215 0.000 1.100 80 I CA 1.283 62.703 61.300 0.199 0.000 1.374 80 I CB -0.275 37.799 38.000 0.123 0.000 1.057 80 I HN 0.440 nan 8.210 nan 0.000 0.413 81 L N 0.434 121.740 121.223 0.138 0.000 2.017 81 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 81 L C 2.390 179.374 176.870 0.190 0.000 1.073 81 L CA 1.857 56.794 54.840 0.161 0.000 0.745 81 L CB -0.576 41.553 42.059 0.117 0.000 0.894 81 L HN -0.019 nan 8.230 nan 0.000 0.432 82 V N 0.139 120.076 119.914 0.038 0.000 2.343 82 V HA -0.299 3.821 4.120 -0.000 0.000 0.247 82 V C 2.637 178.861 176.094 0.216 0.000 1.051 82 V CA 2.004 64.300 62.300 -0.006 0.000 1.036 82 V CB -0.773 30.860 31.823 -0.317 0.000 0.654 82 V HN 0.653 nan 8.190 nan 0.000 0.451 83 E N 0.235 120.554 120.200 0.199 0.000 2.058 83 E HA -0.328 4.022 4.350 -0.000 0.000 0.194 83 E C 2.191 178.970 176.600 0.298 0.000 0.997 83 E CA 1.900 58.448 56.400 0.246 0.000 0.801 83 E CB -0.059 29.787 29.700 0.242 0.000 0.746 83 E HN 0.648 nan 8.360 nan 0.000 0.450 84 E N 0.303 120.684 120.200 0.301 0.000 2.047 84 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 84 E C 2.064 178.825 176.600 0.269 0.000 0.987 84 E CA 1.775 58.342 56.400 0.278 0.000 0.799 84 E CB -0.612 29.239 29.700 0.252 0.000 0.752 84 E HN 0.375 nan 8.360 nan 0.000 0.449 85 C N 0.081 119.584 119.300 0.338 0.000 2.413 85 C HA -0.118 4.342 4.460 -0.000 0.000 0.276 85 C C 2.433 177.631 174.990 0.346 0.000 1.248 85 C CA 0.861 60.091 59.018 0.354 0.000 1.742 85 C CB -1.329 26.721 27.740 0.516 0.000 2.017 85 C HN 0.482 nan 8.230 nan 0.000 0.481 86 Y N 1.888 122.342 120.300 0.257 0.000 2.352 86 Y HA -0.133 4.417 4.550 -0.000 0.000 0.292 86 Y C 2.811 178.801 175.900 0.149 0.000 1.136 86 Y CA 1.571 59.798 58.100 0.213 0.000 1.227 86 Y CB -0.516 38.084 38.460 0.234 0.000 0.991 86 Y HN 0.467 nan 8.280 nan 0.000 0.545 87 S N -1.982 113.870 115.700 0.254 0.000 2.515 87 S HA -0.052 4.418 4.470 -0.000 0.000 0.231 87 S C 1.537 176.194 174.600 0.096 0.000 0.987 87 S CA 1.166 59.466 58.200 0.167 0.000 0.936 87 S CB -0.569 62.738 63.200 0.178 0.000 0.766 87 S HN 0.129 nan 8.310 nan 0.000 0.528 88 V N 0.100 120.062 119.914 0.079 0.000 3.054 88 V HA 0.391 4.511 4.120 -0.000 0.000 0.227 88 V C 0.222 176.310 176.094 -0.009 0.000 1.252 88 V CA 0.635 62.957 62.300 0.035 0.000 1.279 88 V CB 0.490 32.345 31.823 0.052 0.000 1.118 88 V HN 0.511 nan 8.190 nan 0.000 0.504 89 E N 0.089 120.277 120.200 -0.020 0.000 2.759 89 E HA 0.312 4.662 4.350 -0.000 0.000 0.318 89 E C -2.395 174.124 176.600 -0.136 0.000 1.093 89 E CA -1.606 54.764 56.400 -0.050 0.000 0.762 89 E CB 1.660 31.363 29.700 0.005 0.000 1.543 89 E HN 0.108 nan 8.360 nan 0.000 0.381 90 P HA -0.177 nan 4.420 nan 0.000 0.215 90 P C 1.315 178.421 177.300 -0.323 0.000 1.157 90 P CA 1.329 63.935 63.100 -0.823 0.000 0.868 90 P CB 0.315 31.427 31.700 -0.981 0.000 0.788 91 S N -1.045 114.566 115.700 -0.148 0.000 2.355 91 S HA -0.133 4.337 4.470 -0.000 0.000 0.222 91 S C 1.996 176.676 174.600 0.133 0.000 1.031 91 S CA 1.407 59.637 58.200 0.049 0.000 0.993 91 S CB -1.066 62.128 63.200 -0.010 0.000 0.859 91 S HN 0.070 nan 8.310 nan 0.000 0.453 92 A N 1.201 124.114 122.820 0.156 0.000 1.930 92 A HA 0.257 4.577 4.320 -0.000 0.000 0.217 92 A C 2.409 180.038 177.584 0.075 0.000 1.175 92 A CA 1.723 53.867 52.037 0.179 0.000 0.627 92 A CB -1.239 17.899 19.000 0.230 0.000 0.815 92 A HN 0.722 nan 8.150 nan 0.000 0.443 93 A N -0.349 122.458 122.820 -0.023 0.000 1.902 93 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 93 A C 2.098 179.392 177.584 -0.483 0.000 1.181 93 A CA 1.746 53.595 52.037 -0.312 0.000 0.623 93 A CB -0.628 18.284 19.000 -0.147 0.000 0.818 93 A HN 0.636 nan 8.150 nan 0.000 0.443 94 L N -0.085 121.172 121.223 0.057 0.000 2.042 94 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 94 L C 2.463 179.454 176.870 0.201 0.000 1.076 94 L CA 2.745 57.762 54.840 0.295 0.000 0.749 94 L CB -1.119 41.257 42.059 0.528 0.000 0.893 94 L HN 0.391 nan 8.230 nan 0.000 0.432 95 T N -0.121 114.552 114.554 0.199 0.000 2.720 95 T HA -0.199 4.151 4.350 -0.000 0.000 0.268 95 T C 1.940 176.819 174.700 0.298 0.000 1.037 95 T CA 2.117 64.371 62.100 0.257 0.000 1.144 95 T CB -0.327 68.745 68.868 0.340 0.000 0.864 95 T HN 0.346 nan 8.240 nan 0.000 0.444 96 I N 0.126 120.812 120.570 0.194 0.000 2.202 96 I HA -0.094 4.076 4.170 -0.000 0.000 0.242 96 I C 1.953 178.192 176.117 0.203 0.000 1.091 96 I CA 1.144 62.535 61.300 0.152 0.000 1.368 96 I CB -0.366 37.571 38.000 -0.105 0.000 1.058 96 I HN 0.153 nan 8.210 nan 0.000 0.410 97 F N 1.184 121.260 119.950 0.210 0.000 2.216 97 F HA -0.107 4.420 4.527 -0.000 0.000 0.300 97 F C 2.604 178.472 175.800 0.114 0.000 1.085 97 F CA 0.713 58.803 58.000 0.151 0.000 1.326 97 F CB -1.499 37.601 39.000 0.167 0.000 1.027 97 F HN 0.011 nan 8.300 nan 0.000 0.497 98 A N -0.493 122.504 122.820 0.296 0.000 1.969 98 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 98 A C 2.297 179.959 177.584 0.130 0.000 1.169 98 A CA 2.024 54.169 52.037 0.178 0.000 0.635 98 A CB -1.248 17.847 19.000 0.157 0.000 0.810 98 A HN 0.327 nan 8.150 nan 0.000 0.445 99 T N -0.238 114.429 114.554 0.188 0.000 2.788 99 T HA -0.052 4.298 4.350 -0.000 0.000 0.268 99 T C 1.941 176.676 174.700 0.057 0.000 1.044 99 T CA 1.446 63.641 62.100 0.158 0.000 1.139 99 T CB -0.508 68.558 68.868 0.331 0.000 0.867 99 T HN 0.594 nan 8.240 nan 0.000 0.454 100 G N 1.322 110.183 108.800 0.102 0.000 2.418 100 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.217 100 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.217 100 G C 1.509 176.388 174.900 -0.036 0.000 1.158 100 G CA 0.743 45.866 45.100 0.039 0.000 0.771 100 G HN 0.422 nan 8.290 nan 0.000 0.545 101 L N 1.585 122.792 121.223 -0.026 0.000 2.046 101 L HA 0.141 4.481 4.340 -0.000 0.000 0.208 101 L C 2.802 179.576 176.870 -0.161 0.000 1.077 101 L CA 2.296 57.070 54.840 -0.110 0.000 0.747 101 L CB -0.978 41.023 42.059 -0.096 0.000 0.896 101 L HN 0.163 nan 8.230 nan 0.000 0.432 102 G N -0.643 108.085 108.800 -0.120 0.000 2.432 102 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.219 102 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.219 102 G C 1.543 176.308 174.900 -0.225 0.000 1.135 102 G CA 1.027 46.033 45.100 -0.156 0.000 0.767 102 G HN 0.441 nan 8.290 nan 0.000 0.550 103 L N 0.445 121.526 121.223 -0.236 0.000 2.492 103 L HA 0.051 4.391 4.340 -0.000 0.000 0.223 103 L C 2.891 179.631 176.870 -0.216 0.000 1.132 103 L CA 0.493 55.165 54.840 -0.280 0.000 0.850 103 L CB -0.198 41.685 42.059 -0.294 0.000 0.966 103 L HN 0.129 nan 8.230 nan 0.000 0.454 104 T N 0.459 114.897 114.554 -0.193 0.000 2.708 104 T HA -0.090 4.260 4.350 -0.000 0.000 0.266 104 T C -0.520 174.066 174.700 -0.189 0.000 1.037 104 T CA 1.260 63.255 62.100 -0.173 0.000 1.146 104 T CB -0.894 67.864 68.868 -0.183 0.000 0.865 104 T HN 0.195 nan 8.240 nan 0.000 0.435 105 P HA 0.000 nan 4.420 nan 0.000 0.217 105 P C 1.390 178.552 177.300 -0.230 0.000 1.148 105 P CA 0.927 63.887 63.100 -0.233 0.000 0.828 105 P CB -0.183 31.358 31.700 -0.264 0.000 0.783 106 I N -0.834 119.581 120.570 -0.258 0.000 2.202 106 I HA -0.258 3.912 4.170 -0.000 0.000 0.242 106 I C 1.964 177.947 176.117 -0.224 0.000 1.091 106 I CA 1.555 62.675 61.300 -0.301 0.000 1.368 106 I CB -0.755 37.043 38.000 -0.336 0.000 1.058 106 I HN -0.023 nan 8.210 nan 0.000 0.410 107 N N 0.755 119.383 118.700 -0.121 0.000 2.137 107 N HA -0.189 4.551 4.740 -0.000 0.000 0.190 107 N C 1.819 177.372 175.510 0.071 0.000 1.017 107 N CA 1.138 54.221 53.050 0.055 0.000 0.859 107 N CB -0.081 38.414 38.487 0.013 0.000 1.002 107 N HN 0.295 nan 8.380 nan 0.000 0.428 108 L N -0.817 120.385 121.223 -0.036 0.000 2.270 108 L HA 0.111 4.451 4.340 -0.000 0.000 0.210 108 L C 1.710 178.555 176.870 -0.041 0.000 1.104 108 L CA 0.554 55.363 54.840 -0.051 0.000 0.804 108 L CB 0.029 42.029 42.059 -0.098 0.000 0.937 108 L HN 0.182 nan 8.230 nan 0.000 0.450 109 A N -0.781 122.005 122.820 -0.056 0.000 2.548 109 A HA 0.551 4.871 4.320 -0.000 0.000 0.236 109 A C 0.869 178.437 177.584 -0.027 0.000 1.246 109 A CA 0.149 52.152 52.037 -0.058 0.000 0.993 109 A CB 0.131 19.063 19.000 -0.112 0.000 1.209 109 A HN 0.125 nan 8.150 nan 0.000 0.570 110 A N 0.362 123.161 122.820 -0.036 0.000 2.407 110 A HA 0.582 4.902 4.320 -0.000 0.000 0.248 110 A C 0.786 178.542 177.584 0.287 0.000 1.082 110 A CA 0.481 52.526 52.037 0.013 0.000 0.785 110 A CB 0.010 18.843 19.000 -0.279 0.000 1.020 110 A HN 0.912 nan 8.150 nan 0.000 0.489 111 G N 0.316 109.372 108.800 0.428 0.000 2.887 111 G HA2 0.554 4.513 3.960 -0.000 0.000 0.277 111 G HA3 0.554 4.513 3.960 -0.000 0.000 0.277 111 G C -2.037 172.973 174.900 0.185 0.000 1.346 111 G CA -1.028 44.215 45.100 0.237 0.000 1.058 111 G HN 0.388 nan 8.290 nan 0.000 0.535 112 P HA -0.078 nan 4.420 nan 0.000 0.218 112 P C 1.739 179.050 177.300 0.018 0.000 1.149 112 P CA 0.994 64.137 63.100 0.071 0.000 0.817 112 P CB 0.195 31.916 31.700 0.035 0.000 0.785 113 Q N -1.098 118.653 119.800 -0.081 0.000 2.515 113 Q HA -0.166 4.174 4.340 -0.000 0.000 0.212 113 Q C 0.822 176.742 176.000 -0.134 0.000 0.970 113 Q CA 1.436 57.152 55.803 -0.144 0.000 0.941 113 Q CB -0.998 27.614 28.738 -0.209 0.000 0.998 113 Q HN 0.431 nan 8.270 nan 0.000 0.518 114 H N -0.059 119.091 119.070 0.134 0.000 2.551 114 H HA 0.357 4.913 4.556 -0.000 0.000 0.271 114 H C 1.739 177.179 175.328 0.187 0.000 0.984 114 H CA 0.517 56.714 56.048 0.249 0.000 1.164 114 H CB 0.396 30.223 29.762 0.109 0.000 1.437 114 H HN 0.412 nan 8.280 nan 0.000 0.550 115 A N 1.725 124.643 122.820 0.164 0.000 1.948 115 A HA -0.251 4.069 4.320 -0.000 0.000 0.220 115 A C 2.343 179.963 177.584 0.058 0.000 1.177 115 A CA 1.905 54.005 52.037 0.106 0.000 0.636 115 A CB -0.335 18.710 19.000 0.076 0.000 0.815 115 A HN 0.654 nan 8.150 nan 0.000 0.449 116 E N -1.108 119.061 120.200 -0.051 0.000 2.160 116 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 116 E C 1.581 178.078 176.600 -0.173 0.000 0.991 116 E CA 1.399 57.692 56.400 -0.177 0.000 0.810 116 E CB -0.625 28.867 29.700 -0.348 0.000 0.742 116 E HN 0.641 nan 8.360 nan 0.000 0.466 117 F N 0.480 120.479 119.950 0.081 0.000 2.293 117 F HA -0.007 4.520 4.527 -0.000 0.000 0.300 117 F C 1.712 177.605 175.800 0.156 0.000 1.086 117 F CA 0.353 58.413 58.000 0.100 0.000 1.375 117 F CB 0.037 39.078 39.000 0.069 0.000 1.045 117 F HN 0.023 nan 8.300 nan 0.000 0.516 118 L N -0.472 120.912 121.223 0.268 0.000 2.446 118 L HA 0.126 4.466 4.340 -0.000 0.000 0.219 118 L C 2.422 179.459 176.870 0.278 0.000 1.116 118 L CA 0.775 55.772 54.840 0.261 0.000 0.844 118 L CB -1.299 40.836 42.059 0.127 0.000 0.970 118 L HN 0.064 nan 8.230 nan 0.000 0.457 119 A N 0.889 123.810 122.820 0.168 0.000 1.873 119 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 119 A C 0.024 177.655 177.584 0.079 0.000 1.193 119 A CA 1.970 54.066 52.037 0.099 0.000 0.629 119 A CB -1.917 17.104 19.000 0.036 0.000 0.826 119 A HN 0.316 nan 8.150 nan 0.000 0.447 120 P HA -0.115 nan 4.420 nan 0.000 0.219 120 P C 0.769 177.950 177.300 -0.199 0.000 1.146 120 P CA 0.992 64.007 63.100 -0.140 0.000 0.808 120 P CB -0.177 31.343 31.700 -0.300 0.000 0.779 121 F N -1.878 118.113 119.950 0.068 0.000 2.743 121 F HA 0.120 4.647 4.527 -0.000 0.000 0.297 121 F C 1.914 177.749 175.800 0.058 0.000 1.131 121 F CA 0.606 58.650 58.000 0.073 0.000 1.426 121 F CB -0.526 38.517 39.000 0.071 0.000 1.116 121 F HN -0.190 nan 8.300 nan 0.000 0.583 122 L N -0.746 120.593 121.223 0.194 0.000 2.585 122 L HA 0.020 4.360 4.340 -0.000 0.000 0.226 122 L C 2.407 179.323 176.870 0.077 0.000 1.113 122 L CA 0.466 55.383 54.840 0.127 0.000 0.876 122 L CB -0.402 41.725 42.059 0.114 0.000 1.072 122 L HN 0.139 nan 8.230 nan 0.000 0.468 123 S N 0.113 115.845 115.700 0.054 0.000 2.419 123 S HA -0.118 4.352 4.470 -0.000 0.000 0.233 123 S C 1.787 176.404 174.600 0.027 0.000 1.016 123 S CA 0.952 59.168 58.200 0.027 0.000 0.974 123 S CB -0.437 62.764 63.200 0.002 0.000 0.786 123 S HN 0.533 nan 8.310 nan 0.000 0.492 124 G N 1.368 110.191 108.800 0.038 0.000 2.155 124 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.257 124 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.257 124 G C -0.157 174.755 174.900 0.021 0.000 0.983 124 G CA 0.631 45.751 45.100 0.032 0.000 0.676 124 G HN 0.987 nan 8.290 nan 0.000 0.528 125 E N -1.605 118.604 120.200 0.016 0.000 2.450 125 E HA 0.690 5.040 4.350 -0.000 0.000 0.272 125 E C 0.796 177.405 176.600 0.014 0.000 0.967 125 E CA -0.596 55.810 56.400 0.011 0.000 0.818 125 E CB 1.316 31.017 29.700 0.002 0.000 1.401 125 E HN 1.723 nan 8.360 nan 0.000 0.450 126 G N 0.677 109.485 108.800 0.014 0.000 2.598 126 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.244 126 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.244 126 G C -0.020 174.937 174.900 0.096 0.000 1.302 126 G CA 0.129 45.243 45.100 0.024 0.000 0.903 126 G HN 1.455 nan 8.290 nan 0.000 0.575 127 S N -0.426 115.367 115.700 0.154 0.000 2.593 127 S HA 0.542 5.012 4.470 -0.000 0.000 0.178 127 S C -2.255 172.591 174.600 0.410 0.000 1.114 127 S CA 0.223 58.663 58.200 0.400 0.000 1.199 127 S CB 2.026 65.405 63.200 0.299 0.000 1.564 127 S HN 0.845 nan 8.310 nan 0.000 0.407 128 P HA 0.366 nan 4.420 nan 0.000 0.271 128 P C -0.657 176.751 177.300 0.181 0.000 1.216 128 P CA -0.353 62.724 63.100 -0.038 0.000 0.776 128 P CB 0.977 32.297 31.700 -0.634 0.000 0.881 129 L N 1.946 123.232 121.223 0.104 0.000 2.346 129 L HA 0.709 5.049 4.340 -0.000 0.000 0.276 129 L C 0.387 177.447 176.870 0.317 0.000 1.006 129 L CA -0.791 54.125 54.840 0.126 0.000 0.817 129 L CB 1.897 43.790 42.059 -0.278 0.000 1.272 129 L HN 0.421 nan 8.230 nan 0.000 0.421 130 A N 2.034 125.030 122.820 0.293 0.000 2.350 130 A HA 0.869 5.189 4.320 -0.000 0.000 0.318 130 A C -0.791 176.809 177.584 0.027 0.000 1.132 130 A CA -0.511 51.594 52.037 0.114 0.000 0.811 130 A CB 2.035 20.936 19.000 -0.165 0.000 1.313 130 A HN 0.517 nan 8.150 nan 0.000 0.454 131 S N -0.265 115.426 115.700 -0.015 0.000 2.536 131 S HA 0.512 4.982 4.470 -0.000 0.000 0.271 131 S C -1.749 172.826 174.600 -0.042 0.000 1.134 131 S CA -0.472 57.722 58.200 -0.009 0.000 0.897 131 S CB 1.176 64.389 63.200 0.022 0.000 1.094 131 S HN 1.393 nan 8.310 nan 0.000 0.473 132 L N 6.030 127.228 121.223 -0.043 0.000 2.268 132 L HA 0.602 4.942 4.340 -0.000 0.000 0.289 132 L C -1.012 175.885 176.870 0.046 0.000 1.064 132 L CA -0.092 54.708 54.840 -0.067 0.000 0.824 132 L CB 0.713 42.666 42.059 -0.176 0.000 1.202 132 L HN 0.442 nan 8.230 nan 0.000 0.433 133 V N 7.318 127.257 119.914 0.042 0.000 2.284 133 V HA 0.174 4.294 4.120 -0.000 0.000 0.260 133 V C 0.363 176.529 176.094 0.121 0.000 1.084 133 V CA 0.116 62.477 62.300 0.102 0.000 0.894 133 V CB -0.333 31.535 31.823 0.076 0.000 1.119 133 V HN 0.887 nan 8.190 nan 0.000 0.484 134 F N 2.401 122.384 119.950 0.055 0.000 2.522 134 F HA 0.289 4.816 4.527 -0.000 0.000 0.275 134 F C 1.581 177.477 175.800 0.160 0.000 0.890 134 F CA 0.265 58.309 58.000 0.074 0.000 1.157 134 F CB 0.588 39.718 39.000 0.217 0.000 1.117 134 F HN 0.338 nan 8.300 nan 0.000 0.787 135 S N 1.452 117.380 115.700 0.380 0.000 2.584 135 S HA 0.224 4.694 4.470 -0.000 0.000 0.270 135 S C -0.626 174.084 174.600 0.182 0.000 1.346 135 S CA -0.307 58.062 58.200 0.282 0.000 1.018 135 S CB 0.777 64.213 63.200 0.394 0.000 0.899 135 S HN 0.311 nan 8.310 nan 0.000 0.542 136 E N 0.698 120.986 120.200 0.148 0.000 2.369 136 E HA 0.273 4.623 4.350 -0.000 0.000 0.270 136 E C -2.041 174.592 176.600 0.055 0.000 0.909 136 E CA -2.162 54.287 56.400 0.083 0.000 0.775 136 E CB 1.209 30.951 29.700 0.069 0.000 1.270 136 E HN 0.192 nan 8.360 nan 0.000 0.445 137 P HA -0.156 nan 4.420 nan 0.000 0.215 137 P C 1.116 178.393 177.300 -0.038 0.000 1.157 137 P CA 1.325 64.320 63.100 -0.175 0.000 0.874 137 P CB 0.062 31.529 31.700 -0.388 0.000 0.790 138 G N -1.737 107.049 108.800 -0.023 0.000 2.848 138 G HA2 0.344 4.304 3.960 -0.000 0.000 0.208 138 G HA3 0.344 4.304 3.960 -0.000 0.000 0.208 138 G C 0.570 175.473 174.900 0.005 0.000 1.152 138 G CA 0.399 45.496 45.100 -0.006 0.000 0.789 138 G HN 0.617 nan 8.290 nan 0.000 0.531 139 G N -1.660 107.157 108.800 0.028 0.000 2.692 139 G HA2 0.137 4.097 3.960 -0.000 0.000 0.686 139 G HA3 0.137 4.097 3.960 -0.000 0.000 0.686 139 G C 0.190 175.081 174.900 -0.015 0.000 1.243 139 G CA 0.042 45.155 45.100 0.022 0.000 0.782 139 G HN 1.352 nan 8.290 nan 0.000 0.625 140 V N -2.401 117.506 119.914 -0.011 0.000 3.276 140 V HA 0.709 4.829 4.120 -0.000 0.000 0.319 140 V C 2.019 178.090 176.094 -0.039 0.000 1.476 140 V CA 1.231 63.479 62.300 -0.086 0.000 1.097 140 V CB -0.032 31.732 31.823 -0.098 0.000 0.988 140 V HN 2.464 nan 8.190 nan 0.000 0.473 141 A N 1.711 124.524 122.820 -0.012 0.000 2.024 141 A HA -0.091 4.229 4.320 -0.000 0.000 0.220 141 A C 1.504 179.064 177.584 -0.039 0.000 1.164 141 A CA 2.263 54.294 52.037 -0.010 0.000 0.643 141 A CB -0.715 18.263 19.000 -0.036 0.000 0.806 141 A HN 0.751 nan 8.150 nan 0.000 0.451 142 N N -0.963 117.689 118.700 -0.079 0.000 2.338 142 N HA 0.425 5.165 4.740 -0.000 0.000 0.251 142 N C 1.003 176.416 175.510 -0.162 0.000 1.199 142 N CA 0.423 53.417 53.050 -0.093 0.000 0.879 142 N CB 0.611 39.052 38.487 -0.077 0.000 1.159 142 N HN 0.354 nan 8.380 nan 0.000 0.514 143 A N 0.316 122.969 122.820 -0.278 0.000 2.019 143 A HA -0.025 4.295 4.320 -0.000 0.000 0.219 143 A C 1.474 178.838 177.584 -0.367 0.000 1.164 143 A CA 0.961 52.653 52.037 -0.575 0.000 0.644 143 A CB -0.221 17.959 19.000 -1.366 0.000 0.805 143 A HN 0.322 nan 8.150 nan 0.000 0.449 144 L N -0.647 120.489 121.223 -0.145 0.000 2.700 144 L HA 0.202 4.542 4.340 -0.000 0.000 0.234 144 L C 0.624 177.487 176.870 -0.011 0.000 1.156 144 L CA -0.205 54.622 54.840 -0.021 0.000 0.946 144 L CB -0.035 42.095 42.059 0.118 0.000 1.216 144 L HN 0.423 nan 8.230 nan 0.000 0.493 145 E N 2.081 122.254 120.200 -0.045 0.000 2.289 145 E HA 0.146 4.496 4.350 -0.000 0.000 0.278 145 E C -0.315 176.270 176.600 -0.025 0.000 1.032 145 E CA -0.507 55.875 56.400 -0.030 0.000 0.854 145 E CB 0.835 30.510 29.700 -0.042 0.000 1.046 145 E HN 0.086 nan 8.360 nan 0.000 0.409 146 K N 2.394 122.787 120.400 -0.012 0.000 2.412 146 K HA 0.135 4.455 4.320 -0.000 0.000 0.281 146 K C 0.729 177.321 176.600 -0.013 0.000 1.027 146 K CA 0.835 57.117 56.287 -0.008 0.000 0.989 146 K CB 0.676 33.175 32.500 -0.002 0.000 0.935 146 K HN 0.891 nan 8.250 nan 0.000 0.475 147 G N 1.035 109.828 108.800 -0.011 0.000 2.195 147 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.246 147 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.246 147 G C 0.223 175.112 174.900 -0.018 0.000 0.984 147 G CA 0.098 45.191 45.100 -0.012 0.000 0.633 147 G HN 0.830 nan 8.290 nan 0.000 0.525 148 A N 0.291 123.095 122.820 -0.026 0.000 2.252 148 A HA 0.813 5.133 4.320 -0.000 0.000 0.305 148 A C -0.174 177.389 177.584 -0.035 0.000 1.097 148 A CA -0.228 51.787 52.037 -0.037 0.000 0.849 148 A CB 0.417 19.383 19.000 -0.055 0.000 1.142 148 A HN 0.074 nan 8.150 nan 0.000 0.499 149 P HA 0.185 nan 4.420 nan 0.000 0.221 149 P C 0.800 178.080 177.300 -0.034 0.000 1.150 149 P CA 1.553 64.636 63.100 -0.028 0.000 0.800 149 P CB -0.142 31.543 31.700 -0.025 0.000 0.787 150 G N -1.009 107.742 108.800 -0.081 0.000 2.796 150 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.571 150 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.571 150 G C -0.555 174.269 174.900 -0.128 0.000 1.370 150 G CA -0.971 44.055 45.100 -0.124 0.000 0.856 150 G HN 0.032 nan 8.290 nan 0.000 0.538 151 F N 0.868 120.784 119.950 -0.058 0.000 2.642 151 F HA 0.150 4.677 4.527 -0.000 0.000 0.371 151 F C 2.023 177.791 175.800 -0.052 0.000 1.120 151 F CA 1.233 59.182 58.000 -0.086 0.000 1.331 151 F CB 0.787 39.715 39.000 -0.119 0.000 1.044 151 F HN 0.576 nan 8.300 nan 0.000 0.594 152 Q N 1.217 121.113 119.800 0.159 0.000 2.331 152 Q HA -0.048 4.292 4.340 -0.000 0.000 0.203 152 Q C 0.142 176.193 176.000 0.087 0.000 0.944 152 Q CA 0.752 56.611 55.803 0.092 0.000 0.892 152 Q CB 0.130 28.907 28.738 0.065 0.000 0.983 152 Q HN 0.665 nan 8.270 nan 0.000 0.482 153 T N 2.220 116.825 114.554 0.085 0.000 2.780 153 T HA 0.262 4.612 4.350 -0.000 0.000 0.294 153 T C -0.043 174.659 174.700 0.004 0.000 0.949 153 T CA -0.068 62.047 62.100 0.024 0.000 1.074 153 T CB 1.078 69.919 68.868 -0.044 0.000 0.910 153 T HN 0.292 nan 8.240 nan 0.000 0.501 154 T N 0.060 114.626 114.554 0.019 0.000 2.924 154 T HA 0.843 5.193 4.350 -0.000 0.000 0.291 154 T C -0.681 174.043 174.700 0.040 0.000 1.045 154 T CA -1.090 61.031 62.100 0.034 0.000 1.015 154 T CB 1.961 70.866 68.868 0.062 0.000 1.103 154 T HN 0.638 nan 8.240 nan 0.000 0.496 155 A N 1.625 124.496 122.820 0.086 0.000 2.386 155 A HA 0.862 5.182 4.320 -0.000 0.000 0.311 155 A C -0.495 177.306 177.584 0.361 0.000 1.068 155 A CA -1.079 51.080 52.037 0.202 0.000 0.743 155 A CB 1.327 20.400 19.000 0.121 0.000 1.258 155 A HN 0.843 nan 8.150 nan 0.000 0.429 156 R N 1.587 122.292 120.500 0.342 0.000 2.538 156 R HA 0.349 4.689 4.340 -0.000 0.000 0.292 156 R C -1.200 174.987 176.300 -0.189 0.000 1.008 156 R CA -0.749 55.422 56.100 0.119 0.000 0.896 156 R CB 1.952 32.275 30.300 0.038 0.000 1.187 156 R HN 0.637 nan 8.270 nan 0.000 0.440 157 L N 3.787 124.555 121.223 -0.758 0.000 2.369 157 L HA 0.243 4.583 4.340 -0.000 0.000 0.279 157 L C -0.719 175.865 176.870 -0.476 0.000 1.108 157 L CA 0.805 54.994 54.840 -1.085 0.000 0.852 157 L CB 0.556 41.764 42.059 -1.419 0.000 1.169 157 L HN 0.740 nan 8.230 nan 0.000 0.452 158 E N 4.354 124.351 120.200 -0.338 0.000 2.235 158 E HA 0.465 4.815 4.350 -0.000 0.000 0.252 158 E C 0.585 177.090 176.600 -0.157 0.000 0.886 158 E CA 0.037 56.326 56.400 -0.186 0.000 0.767 158 E CB 1.373 31.008 29.700 -0.108 0.000 1.205 158 E HN 0.929 nan 8.360 nan 0.000 0.421 159 G N 4.343 113.058 108.800 -0.141 0.000 2.565 159 G HA2 -0.368 3.591 3.960 -0.000 0.000 0.295 159 G HA3 -0.368 3.591 3.960 -0.000 0.000 0.295 159 G C 0.379 175.203 174.900 -0.128 0.000 1.165 159 G CA 0.519 45.555 45.100 -0.107 0.000 0.977 159 G HN 0.712 nan 8.290 nan 0.000 0.546 160 D N 1.809 122.155 120.400 -0.089 0.000 2.463 160 D HA 0.305 4.945 4.640 -0.000 0.000 0.224 160 D C 0.393 176.658 176.300 -0.057 0.000 1.174 160 D CA 0.441 54.399 54.000 -0.070 0.000 0.829 160 D CB 0.254 41.039 40.800 -0.025 0.000 0.993 160 D HN 0.689 nan 8.370 nan 0.000 0.497 161 E N -0.213 119.924 120.200 -0.105 0.000 2.272 161 E HA 0.312 4.662 4.350 -0.000 0.000 0.269 161 E C -1.222 175.315 176.600 -0.105 0.000 0.877 161 E CA -0.844 55.534 56.400 -0.035 0.000 0.755 161 E CB 1.458 31.159 29.700 0.003 0.000 1.192 161 E HN 0.068 nan 8.360 nan 0.000 0.422 162 W N 2.141 123.443 121.300 0.004 0.000 2.316 162 W HA 0.333 4.994 4.660 0.000 0.000 0.311 162 W C -0.481 176.033 176.519 -0.007 0.000 1.217 162 W CA -0.375 56.966 57.345 -0.007 0.000 1.199 162 W CB 1.038 30.487 29.460 -0.019 0.000 1.202 162 W HN 0.177 nan 8.180 nan 0.000 0.528 163 V N 6.578 126.625 119.914 0.222 0.000 2.334 163 V HA 0.353 4.473 4.120 -0.000 0.000 0.281 163 V C -0.003 176.173 176.094 0.136 0.000 1.016 163 V CA -0.948 61.432 62.300 0.134 0.000 0.832 163 V CB 0.627 32.491 31.823 0.068 0.000 0.999 163 V HN 0.331 nan 8.190 nan 0.000 0.439 164 I N 5.208 125.836 120.570 0.098 0.000 2.353 164 I HA 0.475 4.645 4.170 -0.000 0.000 0.293 164 I C -0.065 176.094 176.117 0.071 0.000 0.992 164 I CA -0.190 61.139 61.300 0.049 0.000 1.268 164 I CB 1.178 39.150 38.000 -0.046 0.000 1.387 164 I HN 0.559 nan 8.210 nan 0.000 0.478 165 N N 4.551 123.290 118.700 0.065 0.000 2.371 165 N HA 0.728 5.468 4.740 -0.000 0.000 0.291 165 N C -0.645 174.916 175.510 0.085 0.000 1.053 165 N CA -0.409 52.694 53.050 0.089 0.000 0.870 165 N CB 2.667 41.195 38.487 0.069 0.000 1.503 165 N HN 0.889 nan 8.380 nan 0.000 0.485 166 G N 0.834 109.712 108.800 0.130 0.000 2.325 166 G HA2 0.163 4.123 3.960 -0.000 0.000 0.297 166 G HA3 0.163 4.123 3.960 -0.000 0.000 0.297 166 G C -1.830 173.167 174.900 0.162 0.000 1.448 166 G CA -0.698 44.473 45.100 0.118 0.000 0.838 166 G HN 0.369 nan 8.290 nan 0.000 0.579 167 E N 0.362 120.638 120.200 0.126 0.000 2.179 167 E HA 0.583 4.933 4.350 -0.000 0.000 0.275 167 E C -0.551 176.133 176.600 0.140 0.000 0.945 167 E CA -0.860 55.623 56.400 0.137 0.000 0.792 167 E CB 1.975 31.779 29.700 0.173 0.000 1.125 167 E HN 0.198 nan 8.360 nan 0.000 0.397 168 K N 1.985 122.479 120.400 0.156 0.000 2.395 168 K HA 0.607 4.927 4.320 -0.000 0.000 0.247 168 K C -0.723 175.919 176.600 0.071 0.000 0.973 168 K CA -0.803 55.566 56.287 0.136 0.000 0.828 168 K CB 2.502 35.139 32.500 0.229 0.000 1.272 168 K HN 0.551 nan 8.250 nan 0.000 0.439 169 M N 0.143 119.773 119.600 0.050 0.000 2.534 169 M HA 0.218 4.698 4.480 -0.000 0.000 0.280 169 M C -1.123 175.233 176.300 0.093 0.000 1.217 169 M CA -0.002 55.240 55.300 -0.097 0.000 0.893 169 M CB 1.398 33.798 32.600 -0.333 0.000 1.730 169 M HN 0.718 nan 8.290 nan 0.000 0.483 170 W N 0.765 122.087 121.300 0.037 0.000 1.828 170 W HA -0.217 4.442 4.660 -0.000 0.000 0.253 170 W C 0.162 176.726 176.519 0.076 0.000 1.019 170 W CA 0.575 57.955 57.345 0.058 0.000 0.447 170 W CB -1.870 27.636 29.460 0.078 0.000 2.033 170 W HN 0.825 nan 8.180 nan 0.000 1.268 171 A N 1.561 124.519 122.820 0.230 0.000 2.539 171 A HA 0.514 4.834 4.320 -0.000 0.000 0.306 171 A C 0.679 178.332 177.584 0.116 0.000 1.392 171 A CA 0.625 52.775 52.037 0.189 0.000 1.060 171 A CB -0.084 19.023 19.000 0.179 0.000 1.134 171 A HN 0.116 nan 8.150 nan 0.000 0.542 172 T N 3.098 117.722 114.554 0.117 0.000 2.871 172 T HA 0.094 4.444 4.350 -0.000 0.000 0.296 172 T C 1.058 175.762 174.700 0.007 0.000 0.998 172 T CA 1.233 63.369 62.100 0.061 0.000 1.162 172 T CB -0.341 68.589 68.868 0.103 0.000 0.947 172 T HN 0.892 nan 8.240 nan 0.000 0.536 173 N N -0.827 117.820 118.700 -0.090 0.000 2.980 173 N HA -0.256 4.484 4.740 -0.000 0.000 0.219 173 N C 1.477 176.933 175.510 -0.091 0.000 0.883 173 N CA 0.787 53.757 53.050 -0.134 0.000 1.018 173 N CB -1.950 36.493 38.487 -0.074 0.000 1.041 173 N HN 0.873 nan 8.380 nan 0.000 0.592 174 C N -0.172 119.118 119.300 -0.016 0.000 2.419 174 C HA 0.362 4.822 4.460 -0.000 0.000 0.283 174 C C 2.473 177.477 174.990 0.024 0.000 1.373 174 C CA 0.788 59.835 59.018 0.049 0.000 1.781 174 C CB -1.162 26.673 27.740 0.158 0.000 1.886 174 C HN 0.543 nan 8.230 nan 0.000 0.520 175 A N 0.339 123.203 122.820 0.074 0.000 2.238 175 A HA 0.534 4.854 4.320 -0.000 0.000 0.210 175 A C 1.472 179.096 177.584 0.068 0.000 1.179 175 A CA 1.241 53.387 52.037 0.182 0.000 0.827 175 A CB -1.073 18.162 19.000 0.392 0.000 0.856 175 A HN 1.996 nan 8.150 nan 0.000 0.488 176 G N -2.070 106.707 108.800 -0.038 0.000 2.855 176 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.352 176 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.352 176 G C 0.304 175.203 174.900 -0.001 0.000 1.415 176 G CA -0.027 45.005 45.100 -0.113 0.000 0.871 176 G HN 0.484 nan 8.290 nan 0.000 0.543 177 W N -0.188 121.113 121.300 0.001 0.000 2.402 177 W HA 0.089 4.749 4.660 -0.000 0.000 0.286 177 W C 2.342 178.631 176.519 -0.385 0.000 1.221 177 W CA 1.165 58.403 57.345 -0.179 0.000 1.257 177 W CB 0.031 29.328 29.460 -0.273 0.000 1.120 177 W HN 0.720 nan 8.180 nan 0.000 0.551 178 D N -1.549 118.808 120.400 -0.072 0.000 2.368 178 D HA -0.057 4.583 4.640 -0.000 0.000 0.218 178 D C 0.415 176.671 176.300 -0.073 0.000 1.112 178 D CA -0.331 53.567 54.000 -0.171 0.000 0.834 178 D CB -1.046 39.743 40.800 -0.019 0.000 0.953 178 D HN 0.089 nan 8.370 nan 0.000 0.505 179 F N -0.104 119.975 119.950 0.216 0.000 3.006 179 F HA -0.241 4.286 4.527 -0.000 0.000 0.289 179 F C 0.920 176.865 175.800 0.241 0.000 0.772 179 F CA 0.381 58.514 58.000 0.222 0.000 1.162 179 F CB -2.355 36.794 39.000 0.247 0.000 1.382 179 F HN 0.178 nan 8.300 nan 0.000 0.406 180 K N 0.186 120.737 120.400 0.252 0.000 2.373 180 K HA 0.549 4.869 4.320 -0.000 0.000 0.202 180 K C 0.869 177.367 176.600 -0.171 0.000 1.025 180 K CA 0.480 56.878 56.287 0.186 0.000 1.115 180 K CB 0.838 33.412 32.500 0.124 0.000 0.858 180 K HN 0.432 nan 8.250 nan 0.000 0.525 181 G N 1.349 109.908 108.800 -0.402 0.000 2.764 181 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.678 181 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.678 181 G C -0.083 174.627 174.900 -0.317 0.000 1.341 181 G CA -0.941 43.693 45.100 -0.778 0.000 0.836 181 G HN 0.223 nan 8.290 nan 0.000 0.632 182 C N 0.964 120.113 119.300 -0.252 0.000 2.563 182 C HA 0.702 5.162 4.460 -0.000 0.000 0.358 182 C C 1.662 176.621 174.990 -0.051 0.000 1.336 182 C CA 0.399 59.344 59.018 -0.122 0.000 2.454 182 C CB 0.485 28.174 27.740 -0.084 0.000 2.448 182 C HN 0.802 nan 8.230 nan 0.000 0.670 183 D N -0.196 120.212 120.400 0.013 0.000 2.123 183 D HA 0.013 4.652 4.640 -0.000 0.000 0.196 183 D C 0.292 176.684 176.300 0.154 0.000 0.992 183 D CA 1.345 55.385 54.000 0.067 0.000 0.833 183 D CB -0.016 40.799 40.800 0.025 0.000 0.954 183 D HN 0.512 nan 8.370 nan 0.000 0.455 184 L N 0.094 121.441 121.223 0.206 0.000 2.541 184 L HA 0.565 4.905 4.340 -0.000 0.000 0.266 184 L C -1.711 175.178 176.870 0.032 0.000 0.966 184 L CA -0.637 54.297 54.840 0.155 0.000 0.871 184 L CB 1.606 43.822 42.059 0.263 0.000 1.232 184 L HN -0.088 nan 8.230 nan 0.000 0.408 185 A N 3.510 126.315 122.820 -0.025 0.000 2.288 185 A HA 0.549 4.869 4.320 -0.000 0.000 0.320 185 A C -0.517 176.983 177.584 -0.141 0.000 1.217 185 A CA -0.354 51.650 52.037 -0.055 0.000 0.840 185 A CB 0.922 19.921 19.000 -0.002 0.000 1.179 185 A HN 0.746 nan 8.150 nan 0.000 0.504 186 C N 3.430 122.635 119.300 -0.159 0.000 2.192 186 C HA 0.415 4.875 4.460 -0.000 0.000 0.337 186 C C 0.477 175.350 174.990 -0.196 0.000 1.103 186 C CA -0.541 58.348 59.018 -0.215 0.000 1.581 186 C CB -1.172 26.431 27.740 -0.229 0.000 2.070 186 C HN 0.561 nan 8.230 nan 0.000 0.485 187 V N 5.432 125.199 119.914 -0.246 0.000 2.385 187 V HA 0.192 4.312 4.120 -0.000 0.000 0.269 187 V C 0.305 176.217 176.094 -0.304 0.000 1.043 187 V CA -0.121 62.015 62.300 -0.274 0.000 0.906 187 V CB 1.074 32.666 31.823 -0.386 0.000 0.995 187 V HN 0.633 nan 8.190 nan 0.000 0.467 188 V N 5.846 125.575 119.914 -0.309 0.000 2.432 188 V HA 0.445 4.565 4.120 -0.000 0.000 0.271 188 V C 0.351 176.031 176.094 -0.690 0.000 1.046 188 V CA -0.163 61.867 62.300 -0.449 0.000 0.945 188 V CB 0.533 32.129 31.823 -0.378 0.000 0.992 188 V HN 1.165 nan 8.190 nan 0.000 0.471 189 C N 3.608 122.547 119.300 -0.601 0.000 3.336 189 C HA 0.847 5.307 4.460 -0.000 0.000 0.339 189 C C -0.509 174.316 174.990 -0.274 0.000 1.468 189 C CA -1.315 57.413 59.018 -0.484 0.000 1.287 189 C CB 1.978 29.543 27.740 -0.291 0.000 1.682 189 C HN 0.897 nan 8.230 nan 0.000 0.451 190 R N 0.837 121.290 120.500 -0.078 0.000 2.343 190 R HA 0.484 4.824 4.340 -0.000 0.000 0.320 190 R C -1.021 175.305 176.300 0.043 0.000 0.956 190 R CA 0.000 56.131 56.100 0.051 0.000 0.836 190 R CB 0.877 31.272 30.300 0.158 0.000 1.151 190 R HN 0.884 nan 8.270 nan 0.000 0.450 191 D N 3.475 123.904 120.400 0.048 0.000 2.401 191 D HA 0.094 4.734 4.640 -0.000 0.000 0.254 191 D C -0.253 176.128 176.300 0.135 0.000 1.192 191 D CA 0.306 54.384 54.000 0.130 0.000 0.885 191 D CB 1.456 42.344 40.800 0.145 0.000 1.147 191 D HN 0.626 nan 8.370 nan 0.000 0.478 192 A N 3.085 125.996 122.820 0.153 0.000 2.606 192 A HA 0.158 4.478 4.320 -0.000 0.000 0.290 192 A C 1.670 179.306 177.584 0.087 0.000 1.174 192 A CA -0.272 51.826 52.037 0.102 0.000 0.958 192 A CB 0.017 19.066 19.000 0.081 0.000 1.194 192 A HN 0.574 nan 8.150 nan 0.000 0.526 193 T N 0.954 115.573 114.554 0.109 0.000 2.720 193 T HA -0.056 4.294 4.350 -0.000 0.000 0.268 193 T C 1.200 175.915 174.700 0.025 0.000 1.037 193 T CA 1.973 64.092 62.100 0.033 0.000 1.144 193 T CB -0.315 68.546 68.868 -0.012 0.000 0.864 193 T HN 0.751 nan 8.240 nan 0.000 0.444 194 T N -0.074 114.508 114.554 0.048 0.000 2.887 194 T HA 0.585 4.935 4.350 -0.000 0.000 0.288 194 T C -3.243 171.483 174.700 0.043 0.000 1.021 194 T CA -2.374 59.748 62.100 0.036 0.000 1.000 194 T CB 2.092 70.981 68.868 0.035 0.000 1.034 194 T HN -0.198 nan 8.240 nan 0.000 0.467 195 P HA 0.254 nan 4.420 nan 0.000 0.271 195 P C -0.296 177.024 177.300 0.033 0.000 1.218 195 P CA -0.796 62.324 63.100 0.032 0.000 0.780 195 P CB 0.281 31.995 31.700 0.023 0.000 0.901 196 L N 2.644 123.887 121.223 0.034 0.000 2.559 196 L HA 0.015 4.355 4.340 -0.000 0.000 0.274 196 L C 0.359 177.244 176.870 0.025 0.000 1.205 196 L CA 0.664 55.523 54.840 0.032 0.000 0.907 196 L CB -0.474 41.603 42.059 0.031 0.000 1.153 196 L HN 0.351 nan 8.230 nan 0.000 0.490 197 E N 2.640 122.855 120.200 0.024 0.000 2.373 197 E HA 0.101 4.451 4.350 -0.000 0.000 0.263 197 E C -0.417 176.193 176.600 0.017 0.000 1.073 197 E CA -0.549 55.863 56.400 0.019 0.000 0.894 197 E CB 0.617 30.329 29.700 0.020 0.000 1.008 197 E HN 0.526 nan 8.360 nan 0.000 0.420 198 E N 0.697 120.905 120.200 0.013 0.000 2.585 198 E HA -0.016 4.334 4.350 -0.000 0.000 0.252 198 E C 0.731 177.337 176.600 0.011 0.000 0.981 198 E CA 1.435 57.841 56.400 0.011 0.000 0.943 198 E CB -0.189 29.516 29.700 0.009 0.000 0.923 198 E HN 0.673 nan 8.360 nan 0.000 0.486 199 G N 3.446 112.252 108.800 0.010 0.000 2.184 199 G HA2 -0.396 3.563 3.960 -0.000 0.000 0.264 199 G HA3 -0.396 3.563 3.960 -0.000 0.000 0.264 199 G C 0.307 175.215 174.900 0.013 0.000 0.975 199 G CA 0.475 45.581 45.100 0.010 0.000 0.642 199 G HN 0.665 nan 8.290 nan 0.000 0.536 200 Q N 0.762 120.571 119.800 0.016 0.000 2.352 200 Q HA 0.326 4.666 4.340 -0.000 0.000 0.260 200 Q C -0.216 175.798 176.000 0.024 0.000 0.976 200 Q CA -0.394 55.422 55.803 0.021 0.000 0.881 200 Q CB 0.446 29.199 28.738 0.025 0.000 1.235 200 Q HN 0.235 nan 8.270 nan 0.000 0.419 201 D N 4.359 124.776 120.400 0.028 0.000 2.401 201 D HA 0.035 4.675 4.640 -0.000 0.000 0.254 201 D C -1.844 174.481 176.300 0.041 0.000 1.192 201 D CA -1.738 52.282 54.000 0.034 0.000 0.885 201 D CB 1.358 42.182 40.800 0.039 0.000 1.147 201 D HN 0.399 nan 8.370 nan 0.000 0.478 202 P HA -0.127 nan 4.420 nan 0.000 0.219 202 P C 1.019 178.361 177.300 0.070 0.000 1.146 202 P CA 0.775 63.901 63.100 0.043 0.000 0.808 202 P CB 0.217 31.929 31.700 0.020 0.000 0.779 203 E N -0.292 119.957 120.200 0.082 0.000 2.265 203 E HA -0.201 4.149 4.350 -0.000 0.000 0.196 203 E C 1.333 177.984 176.600 0.086 0.000 0.996 203 E CA 0.687 57.152 56.400 0.110 0.000 0.832 203 E CB -0.362 29.415 29.700 0.127 0.000 0.756 203 E HN 0.119 nan 8.360 nan 0.000 0.491 204 N N 0.609 119.349 118.700 0.067 0.000 2.443 204 N HA -0.117 4.623 4.740 -0.000 0.000 0.184 204 N C 0.879 176.420 175.510 0.052 0.000 1.037 204 N CA 0.887 53.969 53.050 0.054 0.000 0.896 204 N CB 0.127 38.642 38.487 0.047 0.000 0.959 204 N HN 0.175 nan 8.380 nan 0.000 0.442 205 K N -0.162 120.276 120.400 0.062 0.000 2.355 205 K HA 0.214 4.534 4.320 -0.000 0.000 0.198 205 K C 0.044 176.672 176.600 0.046 0.000 1.039 205 K CA -0.048 56.275 56.287 0.060 0.000 1.075 205 K CB 0.716 33.260 32.500 0.073 0.000 0.870 205 K HN -0.069 nan 8.250 nan 0.000 0.540 206 V N 3.388 123.338 119.914 0.060 0.000 2.508 206 V HA 0.161 4.281 4.120 -0.000 0.000 0.281 206 V C 0.394 176.449 176.094 -0.066 0.000 1.041 206 V CA 0.233 62.556 62.300 0.037 0.000 1.016 206 V CB 0.402 32.307 31.823 0.136 0.000 0.984 206 V HN 0.132 nan 8.190 nan 0.000 0.478 207 M N 5.511 125.015 119.600 -0.160 0.000 2.761 207 M HA 0.663 5.143 4.480 -0.000 0.000 0.305 207 M C -0.924 175.210 176.300 -0.277 0.000 1.235 207 M CA -0.612 54.545 55.300 -0.239 0.000 0.850 207 M CB 2.534 34.919 32.600 -0.357 0.000 1.744 207 M HN 0.317 nan 8.290 nan 0.000 0.480 208 I N 2.148 122.545 120.570 -0.288 0.000 2.447 208 I HA 0.511 4.681 4.170 -0.000 0.000 0.287 208 I C -1.250 174.664 176.117 -0.339 0.000 1.023 208 I CA -0.485 60.635 61.300 -0.299 0.000 1.083 208 I CB 1.683 39.525 38.000 -0.263 0.000 1.245 208 I HN 0.571 nan 8.210 nan 0.000 0.434 209 I N 6.385 126.746 120.570 -0.347 0.000 2.498 209 I HA 0.398 4.568 4.170 -0.000 0.000 0.290 209 I C -0.276 175.645 176.117 -0.327 0.000 1.032 209 I CA -0.727 60.363 61.300 -0.350 0.000 1.073 209 I CB 2.190 39.977 38.000 -0.356 0.000 1.251 209 I HN 0.309 nan 8.210 nan 0.000 0.426 210 L N 6.019 127.022 121.223 -0.366 0.000 2.417 210 L HA 0.457 4.797 4.340 -0.000 0.000 0.268 210 L C -0.516 176.198 176.870 -0.261 0.000 1.158 210 L CA -0.582 54.022 54.840 -0.393 0.000 0.819 210 L CB 0.983 42.621 42.059 -0.702 0.000 1.112 210 L HN 0.296 nan 8.230 nan 0.000 0.458 211 V N 1.022 120.828 119.914 -0.179 0.000 2.524 211 V HA 0.312 4.432 4.120 -0.000 0.000 0.297 211 V C 0.170 176.263 176.094 -0.002 0.000 1.035 211 V CA -0.649 61.609 62.300 -0.069 0.000 0.867 211 V CB 1.898 33.675 31.823 -0.077 0.000 1.004 211 V HN 0.929 nan 8.190 nan 0.000 0.426 212 T N 1.509 116.106 114.554 0.072 0.000 2.912 212 T HA 0.466 4.816 4.350 -0.000 0.000 0.280 212 T C 0.981 175.715 174.700 0.057 0.000 0.989 212 T CA -0.498 61.666 62.100 0.105 0.000 0.995 212 T CB 1.846 70.835 68.868 0.202 0.000 1.077 212 T HN 0.450 nan 8.240 nan 0.000 0.531 213 R N 0.930 121.450 120.500 0.033 0.000 2.096 213 R HA 0.061 4.401 4.340 -0.000 0.000 0.235 213 R C 2.415 178.728 176.300 0.023 0.000 1.127 213 R CA 2.038 58.135 56.100 -0.006 0.000 0.968 213 R CB -1.483 28.807 30.300 -0.017 0.000 0.861 213 R HN 0.827 nan 8.270 nan 0.000 0.440 214 A N 0.784 123.631 122.820 0.046 0.000 1.908 214 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 214 A C 1.767 179.387 177.584 0.060 0.000 1.181 214 A CA 1.944 54.010 52.037 0.048 0.000 0.627 214 A CB -0.695 18.335 19.000 0.049 0.000 0.818 214 A HN 0.442 nan 8.150 nan 0.000 0.445 215 D N 0.126 120.575 120.400 0.081 0.000 2.104 215 D HA -0.147 4.493 4.640 -0.000 0.000 0.194 215 D C 1.989 178.338 176.300 0.080 0.000 0.994 215 D CA 1.305 55.358 54.000 0.087 0.000 0.830 215 D CB -0.367 40.493 40.800 0.100 0.000 0.959 215 D HN 0.479 nan 8.370 nan 0.000 0.452 216 L N 0.864 122.130 121.223 0.072 0.000 2.046 216 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 216 L C 2.098 179.010 176.870 0.070 0.000 1.077 216 L CA 0.991 55.881 54.840 0.082 0.000 0.747 216 L CB -0.354 41.730 42.059 0.043 0.000 0.896 216 L HN -0.103 nan 8.230 nan 0.000 0.432 217 D N -0.123 120.306 120.400 0.049 0.000 2.104 217 D HA -0.208 4.432 4.640 -0.000 0.000 0.194 217 D C 2.212 178.540 176.300 0.047 0.000 0.994 217 D CA 1.120 55.147 54.000 0.044 0.000 0.830 217 D CB -0.175 40.644 40.800 0.033 0.000 0.959 217 D HN 0.179 nan 8.370 nan 0.000 0.452 218 R N 0.636 121.165 120.500 0.049 0.000 2.096 218 R HA -0.048 4.291 4.340 -0.000 0.000 0.235 218 R C 1.620 177.951 176.300 0.051 0.000 1.127 218 R CA 1.076 57.204 56.100 0.046 0.000 0.968 218 R CB -0.002 30.327 30.300 0.049 0.000 0.861 218 R HN 0.129 nan 8.270 nan 0.000 0.440 219 N N 0.046 118.784 118.700 0.063 0.000 2.494 219 N HA -0.014 4.726 4.740 -0.000 0.000 0.182 219 N C 0.675 176.222 175.510 0.061 0.000 1.076 219 N CA 0.945 54.035 53.050 0.067 0.000 0.908 219 N CB 0.478 39.016 38.487 0.086 0.000 0.967 219 N HN 0.425 nan 8.380 nan 0.000 0.449 220 G N 1.654 110.489 108.800 0.059 0.000 2.741 220 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.222 220 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.222 220 G C -0.493 174.440 174.900 0.056 0.000 1.364 220 G CA -0.411 44.719 45.100 0.051 0.000 0.866 220 G HN 0.365 nan 8.290 nan 0.000 0.555 221 E N 0.752 120.979 120.200 0.045 0.000 2.465 221 E HA 0.376 4.726 4.350 -0.000 0.000 0.260 221 E C 1.505 178.128 176.600 0.038 0.000 0.980 221 E CA 1.235 57.660 56.400 0.042 0.000 0.927 221 E CB -0.311 29.407 29.700 0.030 0.000 0.934 221 E HN 2.403 nan 8.360 nan 0.000 0.459 222 G N 2.860 111.682 108.800 0.036 0.000 2.176 222 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.253 222 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.253 222 G C 0.882 175.800 174.900 0.030 0.000 0.979 222 G CA 0.801 45.910 45.100 0.016 0.000 0.641 222 G HN 0.753 nan 8.290 nan 0.000 0.530 223 S N -1.269 114.476 115.700 0.075 0.000 2.414 223 S HA 0.438 4.908 4.470 -0.000 0.000 0.227 223 S C 0.662 175.356 174.600 0.157 0.000 1.022 223 S CA 1.037 59.307 58.200 0.116 0.000 0.958 223 S CB 0.146 63.428 63.200 0.137 0.000 0.797 223 S HN 1.223 nan 8.310 nan 0.000 0.493 224 F N 1.135 121.058 119.950 -0.045 0.000 2.556 224 F HA 0.697 5.224 4.527 -0.000 0.000 0.314 224 F C -0.801 174.912 175.800 -0.144 0.000 1.106 224 F CA -0.784 57.123 58.000 -0.154 0.000 0.911 224 F CB 1.885 40.803 39.000 -0.136 0.000 1.190 224 F HN 0.181 nan 8.300 nan 0.000 0.448 225 E N 4.569 124.223 120.200 -0.910 0.000 2.335 225 E HA 0.438 4.788 4.350 -0.000 0.000 0.280 225 E C -1.951 174.160 176.600 -0.815 0.000 0.918 225 E CA -0.813 55.223 56.400 -0.607 0.000 0.765 225 E CB 2.317 31.806 29.700 -0.351 0.000 1.218 225 E HN 0.475 nan 8.360 nan 0.000 0.425 226 V N 6.336 125.919 119.914 -0.553 0.000 2.427 226 V HA 0.090 4.210 4.120 -0.000 0.000 0.268 226 V C 1.282 177.087 176.094 -0.481 0.000 1.046 226 V CA 0.117 62.087 62.300 -0.549 0.000 0.970 226 V CB 0.769 32.271 31.823 -0.536 0.000 1.001 226 V HN 0.778 nan 8.190 nan 0.000 0.476 227 L N 3.871 124.770 121.223 -0.539 0.000 2.162 227 L HA 0.249 4.588 4.340 -0.000 0.000 0.205 227 L C 1.205 177.832 176.870 -0.406 0.000 1.086 227 L CA 0.856 55.388 54.840 -0.513 0.000 0.778 227 L CB 0.000 41.572 42.059 -0.812 0.000 0.928 227 L HN 0.582 nan 8.230 nan 0.000 0.446 228 R N -0.569 119.685 120.500 -0.409 0.000 2.522 228 R HA 0.252 4.592 4.340 -0.000 0.000 0.273 228 R C -1.087 175.003 176.300 -0.351 0.000 1.133 228 R CA -0.588 55.344 56.100 -0.279 0.000 0.969 228 R CB 1.101 31.311 30.300 -0.149 0.000 1.235 228 R HN 0.039 nan 8.270 nan 0.000 0.433 229 H N 2.726 121.651 119.070 -0.241 0.000 2.683 229 H HA 0.198 4.754 4.556 -0.000 0.000 0.339 229 H C -0.307 174.902 175.328 -0.198 0.000 1.081 229 H CA 0.014 55.908 56.048 -0.256 0.000 1.432 229 H CB 1.595 31.188 29.762 -0.282 0.000 1.462 229 H HN 0.156 nan 8.280 nan 0.000 0.557 230 V N 2.884 122.731 119.914 -0.110 0.000 2.370 230 V HA 0.330 4.450 4.120 -0.000 0.000 0.283 230 V C 0.452 176.522 176.094 -0.039 0.000 1.023 230 V CA -0.833 61.384 62.300 -0.139 0.000 0.857 230 V CB 1.116 32.720 31.823 -0.366 0.000 0.985 230 V HN 0.856 nan 8.190 nan 0.000 0.443 231 A N 4.271 127.093 122.820 0.003 0.000 2.331 231 A HA 0.797 5.117 4.320 -0.000 0.000 0.283 231 A C 0.428 178.063 177.584 0.085 0.000 1.142 231 A CA -0.209 51.853 52.037 0.042 0.000 0.812 231 A CB 0.590 19.611 19.000 0.035 0.000 1.074 231 A HN 0.939 nan 8.150 nan 0.000 0.497 232 T N -0.122 114.499 114.554 0.112 0.000 2.916 232 T HA 0.700 5.050 4.350 -0.000 0.000 0.292 232 T C -2.077 172.694 174.700 0.119 0.000 1.055 232 T CA -1.361 60.831 62.100 0.155 0.000 1.009 232 T CB 1.779 70.781 68.868 0.223 0.000 1.118 232 T HN 0.369 nan 8.240 nan 0.000 0.497 233 P HA 0.234 nan 4.420 nan 0.000 0.227 233 P C 0.691 178.034 177.300 0.072 0.000 1.161 233 P CA 0.374 63.522 63.100 0.079 0.000 0.788 233 P CB 0.011 31.752 31.700 0.067 0.000 0.822 234 G N -1.896 106.965 108.800 0.102 0.000 3.015 234 G HA2 0.416 4.376 3.960 -0.000 0.000 0.281 234 G HA3 0.416 4.376 3.960 -0.000 0.000 0.281 234 G C -1.203 173.783 174.900 0.142 0.000 1.386 234 G CA -0.696 44.439 45.100 0.059 0.000 0.959 234 G HN 0.097 nan 8.290 nan 0.000 0.522 235 H N -1.198 117.900 119.070 0.047 0.000 2.692 235 H HA -0.231 4.325 4.556 -0.000 0.000 0.316 235 H C 1.844 177.185 175.328 0.021 0.000 1.176 235 H CA 1.154 57.234 56.048 0.054 0.000 1.142 235 H CB -1.410 28.421 29.762 0.114 0.000 1.475 235 H HN 0.689 nan 8.280 nan 0.000 0.423 236 T N -4.313 110.255 114.554 0.023 0.000 3.072 236 T HA -0.086 4.264 4.350 -0.000 0.000 0.266 236 T C 1.904 176.529 174.700 -0.126 0.000 1.127 236 T CA 0.826 62.916 62.100 -0.017 0.000 1.107 236 T CB 0.087 68.959 68.868 0.007 0.000 0.910 236 T HN 0.524 nan 8.240 nan 0.000 0.513 237 S N 0.038 115.572 115.700 -0.278 0.000 2.557 237 S HA 0.370 4.840 4.470 -0.000 0.000 0.223 237 S C 0.302 174.986 174.600 0.140 0.000 0.969 237 S CA -0.665 57.404 58.200 -0.218 0.000 0.927 237 S CB -0.195 62.618 63.200 -0.646 0.000 0.806 237 S HN 0.292 nan 8.310 nan 0.000 0.489 238 V N 2.238 122.229 119.914 0.129 0.000 2.509 238 V HA 0.561 4.681 4.120 -0.000 0.000 0.284 238 V C 0.180 176.270 176.094 -0.006 0.000 1.047 238 V CA -0.438 61.950 62.300 0.147 0.000 0.952 238 V CB 1.475 33.419 31.823 0.201 0.000 0.988 238 V HN 0.443 nan 8.190 nan 0.000 0.469 239 S N 3.364 118.896 115.700 -0.280 0.000 2.566 239 S HA 0.683 5.153 4.470 -0.000 0.000 0.324 239 S C 0.141 174.583 174.600 -0.264 0.000 1.081 239 S CA -0.068 57.872 58.200 -0.433 0.000 1.105 239 S CB 0.712 63.226 63.200 -1.144 0.000 0.981 239 S HN 1.071 nan 8.310 nan 0.000 0.464 240 G N 5.664 114.388 108.800 -0.125 0.000 4.566 240 G HA2 0.460 4.420 3.960 -0.000 0.000 0.307 240 G HA3 0.460 4.420 3.960 -0.000 0.000 0.307 240 G C -3.147 171.647 174.900 -0.178 0.000 1.383 240 G CA -1.152 43.909 45.100 -0.066 0.000 0.910 240 G HN 0.550 nan 8.290 nan 0.000 0.538 241 P HA 0.083 nan 4.420 nan 0.000 0.274 241 P C -0.208 176.938 177.300 -0.256 0.000 1.246 241 P CA -0.315 62.597 63.100 -0.313 0.000 0.795 241 P CB 0.597 32.035 31.700 -0.437 0.000 1.006 242 H N 0.313 119.140 119.070 -0.405 0.000 2.899 242 H HA 0.348 4.904 4.556 -0.000 0.000 0.303 242 H C -0.165 174.956 175.328 -0.345 0.000 1.042 242 H CA -0.736 55.112 56.048 -0.333 0.000 1.479 242 H CB 0.224 29.804 29.762 -0.304 0.000 1.493 242 H HN 0.187 nan 8.280 nan 0.000 0.534 243 V N 2.800 122.647 119.914 -0.112 0.000 3.126 243 V HA 0.632 4.752 4.120 -0.000 0.000 0.314 243 V C -0.730 175.138 176.094 -0.376 0.000 1.138 243 V CA -1.276 60.761 62.300 -0.437 0.000 1.034 243 V CB 2.154 33.647 31.823 -0.549 0.000 1.075 243 V HN 0.831 nan 8.190 nan 0.000 0.442 244 R N 0.830 120.972 120.500 -0.596 0.000 2.574 244 R HA 0.550 4.890 4.340 -0.000 0.000 0.288 244 R C -2.176 173.868 176.300 -0.427 0.000 1.004 244 R CA -0.578 55.309 56.100 -0.356 0.000 0.895 244 R CB 2.012 32.160 30.300 -0.253 0.000 1.191 244 R HN 0.868 nan 8.270 nan 0.000 0.444 245 Y N 1.628 121.900 120.300 -0.047 0.000 2.328 245 Y HA 0.328 4.878 4.550 -0.000 0.000 0.337 245 Y C 0.082 175.994 175.900 0.020 0.000 1.008 245 Y CA -0.327 57.797 58.100 0.041 0.000 1.129 245 Y CB 2.446 40.959 38.460 0.088 0.000 1.185 245 Y HN 0.382 nan 8.280 nan 0.000 0.476 246 T N 4.300 118.946 114.554 0.154 0.000 2.815 246 T HA 0.195 4.545 4.350 -0.000 0.000 0.289 246 T C -0.078 174.684 174.700 0.103 0.000 1.000 246 T CA -0.973 61.183 62.100 0.094 0.000 0.958 246 T CB 0.268 69.158 68.868 0.036 0.000 0.944 246 T HN 0.739 nan 8.240 nan 0.000 0.442 247 N N 1.807 120.561 118.700 0.091 0.000 2.699 247 N HA -0.141 4.599 4.740 -0.000 0.000 0.256 247 N C -0.478 175.089 175.510 0.095 0.000 0.993 247 N CA 0.111 53.209 53.050 0.079 0.000 0.759 247 N CB -0.305 38.215 38.487 0.056 0.000 0.906 247 N HN 0.337 nan 8.380 nan 0.000 0.541 248 V N 2.022 122.008 119.914 0.120 0.000 2.372 248 V HA 0.153 4.273 4.120 -0.000 0.000 0.261 248 V C 0.836 176.991 176.094 0.101 0.000 1.055 248 V CA 0.013 62.390 62.300 0.128 0.000 0.930 248 V CB 0.805 32.735 31.823 0.179 0.000 1.031 248 V HN 0.161 nan 8.190 nan 0.000 0.479 249 R N 4.088 124.644 120.500 0.092 0.000 2.265 249 R HA 0.696 5.036 4.340 -0.000 0.000 0.319 249 R C -0.588 175.772 176.300 0.099 0.000 1.006 249 R CA -0.477 55.677 56.100 0.090 0.000 0.880 249 R CB 1.753 32.092 30.300 0.066 0.000 1.077 249 R HN 0.620 nan 8.270 nan 0.000 0.454 250 V N 0.266 120.254 119.914 0.124 0.000 2.962 250 V HA 0.648 4.768 4.120 -0.000 0.000 0.313 250 V C -2.681 173.509 176.094 0.160 0.000 1.099 250 V CA -3.158 59.221 62.300 0.131 0.000 0.971 250 V CB 2.081 33.972 31.823 0.112 0.000 1.028 250 V HN 0.527 nan 8.190 nan 0.000 0.430 251 P HA 0.242 nan 4.420 nan 0.000 0.272 251 P C 1.130 178.556 177.300 0.211 0.000 1.240 251 P CA 0.387 63.578 63.100 0.153 0.000 0.791 251 P CB 0.450 32.230 31.700 0.135 0.000 0.978 252 T N -1.371 113.308 114.554 0.208 0.000 2.881 252 T HA -0.195 4.155 4.350 -0.000 0.000 0.270 252 T C 1.345 176.161 174.700 0.195 0.000 1.068 252 T CA 1.207 63.472 62.100 0.275 0.000 1.131 252 T CB -0.816 68.181 68.868 0.214 0.000 0.871 252 T HN 0.524 nan 8.240 nan 0.000 0.479 253 K N 1.539 122.037 120.400 0.162 0.000 2.360 253 K HA -0.052 4.268 4.320 -0.000 0.000 0.201 253 K C 1.976 178.718 176.600 0.237 0.000 1.046 253 K CA 1.324 57.707 56.287 0.160 0.000 0.945 253 K CB -0.536 32.059 32.500 0.158 0.000 0.750 253 K HN 0.389 nan 8.250 nan 0.000 0.464 254 N N 1.107 119.923 118.700 0.193 0.000 2.396 254 N HA -0.043 4.697 4.740 -0.000 0.000 0.180 254 N C -0.282 175.165 175.510 -0.104 0.000 1.028 254 N CA 0.371 53.432 53.050 0.019 0.000 0.893 254 N CB 0.119 38.615 38.487 0.014 0.000 0.967 254 N HN -0.002 nan 8.380 nan 0.000 0.440 255 V N 2.496 122.374 119.914 -0.061 0.000 2.493 255 V HA -0.088 4.032 4.120 -0.000 0.000 0.292 255 V C 1.224 177.273 176.094 -0.075 0.000 1.016 255 V CA 0.268 62.455 62.300 -0.188 0.000 1.097 255 V CB 1.186 32.858 31.823 -0.251 0.000 0.947 255 V HN 0.185 nan 8.190 nan 0.000 0.479 256 L N 5.882 126.963 121.223 -0.236 0.000 2.189 256 L HA 0.291 4.631 4.340 -0.000 0.000 0.199 256 L C 0.870 177.629 176.870 -0.184 0.000 1.074 256 L CA 1.498 56.152 54.840 -0.309 0.000 0.783 256 L CB 0.394 42.180 42.059 -0.455 0.000 0.955 256 L HN 0.652 nan 8.230 nan 0.000 0.460 257 C N 1.542 120.717 119.300 -0.208 0.000 2.301 257 C HA 0.549 5.009 4.460 -0.000 0.000 0.323 257 C C -2.277 172.606 174.990 -0.179 0.000 1.265 257 C CA -1.487 57.435 59.018 -0.159 0.000 1.503 257 C CB 0.786 28.432 27.740 -0.156 0.000 2.195 257 C HN 0.258 nan 8.230 nan 0.000 0.477 258 P HA 0.178 nan 4.420 nan 0.000 0.271 258 P C -0.276 176.958 177.300 -0.109 0.000 1.233 258 P CA 0.074 63.100 63.100 -0.122 0.000 0.789 258 P CB 0.483 32.161 31.700 -0.037 0.000 0.951 259 A N 1.489 124.254 122.820 -0.092 0.000 2.566 259 A HA 0.374 4.694 4.320 -0.000 0.000 0.245 259 A C 1.502 179.081 177.584 -0.009 0.000 1.056 259 A CA 0.993 53.003 52.037 -0.045 0.000 0.757 259 A CB -1.675 17.335 19.000 0.016 0.000 0.979 259 A HN 0.874 nan 8.150 nan 0.000 0.508 260 G N 1.470 110.270 108.800 -0.000 0.000 2.194 260 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.236 260 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.236 260 G C 0.617 175.525 174.900 0.012 0.000 0.987 260 G CA 0.692 45.804 45.100 0.020 0.000 0.635 260 G HN 0.780 nan 8.290 nan 0.000 0.520 261 Q N -0.348 119.443 119.800 -0.014 0.000 2.280 261 Q HA 0.314 4.654 4.340 -0.000 0.000 0.228 261 Q C 2.503 178.478 176.000 -0.041 0.000 0.857 261 Q CA 0.533 56.322 55.803 -0.023 0.000 0.939 261 Q CB 0.605 29.321 28.738 -0.037 0.000 1.114 261 Q HN 0.456 nan 8.270 nan 0.000 0.514 262 G N 1.088 109.854 108.800 -0.056 0.000 2.402 262 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.216 262 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.216 262 G C 1.434 176.294 174.900 -0.065 0.000 1.162 262 G CA 0.903 45.950 45.100 -0.088 0.000 0.777 262 G HN 0.370 nan 8.290 nan 0.000 0.539 263 A N 0.952 123.772 122.820 -0.000 0.000 1.877 263 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 263 A C 2.212 179.791 177.584 -0.009 0.000 1.186 263 A CA 2.370 54.396 52.037 -0.019 0.000 0.620 263 A CB -0.437 18.667 19.000 0.174 0.000 0.822 263 A HN 0.356 nan 8.150 nan 0.000 0.443 264 K N -0.129 120.330 120.400 0.098 0.000 2.063 264 K HA -0.101 4.219 4.320 -0.000 0.000 0.208 264 K C 1.634 178.257 176.600 0.038 0.000 1.048 264 K CA 2.000 58.361 56.287 0.123 0.000 0.928 264 K CB -0.660 31.877 32.500 0.062 0.000 0.713 264 K HN 0.191 nan 8.250 nan 0.000 0.442 265 V N 0.619 120.506 119.914 -0.045 0.000 2.427 265 V HA -0.164 3.956 4.120 -0.000 0.000 0.248 265 V C 2.316 178.324 176.094 -0.143 0.000 1.051 265 V CA 1.785 64.026 62.300 -0.098 0.000 1.048 265 V CB -0.713 31.034 31.823 -0.126 0.000 0.666 265 V HN 0.499 nan 8.190 nan 0.000 0.456 266 A N -0.244 122.463 122.820 -0.189 0.000 1.877 266 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 266 A C 1.980 179.443 177.584 -0.202 0.000 1.186 266 A CA 1.724 53.581 52.037 -0.300 0.000 0.620 266 A CB -0.669 18.171 19.000 -0.267 0.000 0.822 266 A HN 0.458 nan 8.150 nan 0.000 0.443 267 F N 0.487 120.482 119.950 0.076 0.000 2.234 267 F HA 0.045 4.572 4.527 -0.000 0.000 0.299 267 F C 2.585 178.421 175.800 0.059 0.000 1.087 267 F CA 0.417 58.490 58.000 0.122 0.000 1.340 267 F CB -1.123 37.906 39.000 0.047 0.000 1.031 267 F HN 0.259 nan 8.300 nan 0.000 0.500 268 G N -0.305 108.590 108.800 0.158 0.000 2.418 268 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.217 268 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.217 268 G C 1.938 176.847 174.900 0.015 0.000 1.158 268 G CA 0.894 46.047 45.100 0.088 0.000 0.771 268 G HN 0.437 nan 8.290 nan 0.000 0.545 269 A N 0.397 123.142 122.820 -0.126 0.000 1.898 269 A HA 0.159 4.479 4.320 -0.000 0.000 0.216 269 A C 2.107 179.548 177.584 -0.240 0.000 1.181 269 A CA 1.263 53.145 52.037 -0.257 0.000 0.620 269 A CB -0.505 18.218 19.000 -0.462 0.000 0.819 269 A HN 0.271 nan 8.150 nan 0.000 0.442 270 F N 0.787 120.701 119.950 -0.061 0.000 2.365 270 F HA -0.085 4.442 4.527 -0.000 0.000 0.300 270 F C 1.898 177.693 175.800 -0.007 0.000 1.090 270 F CA 0.994 58.962 58.000 -0.053 0.000 1.408 270 F CB -0.349 38.627 39.000 -0.039 0.000 1.060 270 F HN 0.216 nan 8.300 nan 0.000 0.534 271 D N -0.168 120.341 120.400 0.183 0.000 2.097 271 D HA -0.119 4.521 4.640 -0.000 0.000 0.197 271 D C 2.580 178.920 176.300 0.068 0.000 0.984 271 D CA 1.534 55.603 54.000 0.116 0.000 0.826 271 D CB -0.947 39.935 40.800 0.136 0.000 0.973 271 D HN 0.308 nan 8.370 nan 0.000 0.460 272 G N 0.686 109.515 108.800 0.048 0.000 2.421 272 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.216 272 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.216 272 G C 1.731 176.628 174.900 -0.004 0.000 1.171 272 G CA 1.701 46.808 45.100 0.010 0.000 0.775 272 G HN 0.419 nan 8.290 nan 0.000 0.543 273 S N 1.117 116.814 115.700 -0.005 0.000 2.423 273 S HA 0.198 4.668 4.470 -0.000 0.000 0.231 273 S C 2.557 177.167 174.600 0.017 0.000 1.014 273 S CA 1.354 59.547 58.200 -0.012 0.000 0.965 273 S CB -0.335 62.855 63.200 -0.016 0.000 0.785 273 S HN 0.605 nan 8.310 nan 0.000 0.495 274 A N 1.807 124.658 122.820 0.052 0.000 1.908 274 A HA 0.004 4.324 4.320 -0.000 0.000 0.218 274 A C 2.406 180.017 177.584 0.046 0.000 1.181 274 A CA 1.811 53.881 52.037 0.055 0.000 0.627 274 A CB -1.262 17.775 19.000 0.060 0.000 0.818 274 A HN 0.473 nan 8.150 nan 0.000 0.445 275 V N 0.144 120.078 119.914 0.033 0.000 2.332 275 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 275 V C 2.511 178.621 176.094 0.027 0.000 1.055 275 V CA 2.083 64.404 62.300 0.036 0.000 1.038 275 V CB -0.741 31.097 31.823 0.024 0.000 0.651 275 V HN 0.584 nan 8.190 nan 0.000 0.450 276 L N -0.787 120.428 121.223 -0.013 0.000 2.240 276 L HA -0.061 4.279 4.340 -0.000 0.000 0.211 276 L C 2.410 179.249 176.870 -0.051 0.000 1.106 276 L CA 0.547 55.350 54.840 -0.062 0.000 0.793 276 L CB -0.551 41.425 42.059 -0.139 0.000 0.927 276 L HN 0.193 nan 8.230 nan 0.000 0.446 277 V N 0.597 120.515 119.914 0.007 0.000 2.407 277 V HA -0.211 3.909 4.120 -0.000 0.000 0.248 277 V C 2.670 178.802 176.094 0.064 0.000 1.055 277 V CA 2.009 64.353 62.300 0.073 0.000 1.049 277 V CB -1.164 30.753 31.823 0.157 0.000 0.662 277 V HN 0.566 nan 8.190 nan 0.000 0.455 278 G N -0.205 108.637 108.800 0.071 0.000 2.446 278 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.217 278 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.217 278 G C 1.773 176.722 174.900 0.081 0.000 1.168 278 G CA 1.146 46.301 45.100 0.093 0.000 0.771 278 G HN 0.619 nan 8.290 nan 0.000 0.551 279 A N 0.418 123.274 122.820 0.060 0.000 1.933 279 A HA 0.042 4.362 4.320 -0.000 0.000 0.218 279 A C 2.477 180.079 177.584 0.030 0.000 1.175 279 A CA 1.812 53.890 52.037 0.069 0.000 0.628 279 A CB -0.360 18.676 19.000 0.060 0.000 0.814 279 A HN 0.401 nan 8.150 nan 0.000 0.444 280 M N -0.588 118.960 119.600 -0.087 0.000 2.108 280 M HA -0.144 4.336 4.480 -0.000 0.000 0.261 280 M C 2.312 178.645 176.300 0.055 0.000 1.066 280 M CA 1.583 56.746 55.300 -0.228 0.000 1.107 280 M CB -0.656 31.644 32.600 -0.500 0.000 1.356 280 M HN 0.513 nan 8.290 nan 0.000 0.406 281 G N -0.351 108.490 108.800 0.069 0.000 2.418 281 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.217 281 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.217 281 G C 1.465 176.432 174.900 0.112 0.000 1.158 281 G CA 0.863 46.023 45.100 0.100 0.000 0.771 281 G HN 0.324 nan 8.290 nan 0.000 0.545 282 V N 1.623 121.599 119.914 0.104 0.000 2.332 282 V HA -0.105 4.015 4.120 -0.000 0.000 0.248 282 V C 3.135 179.304 176.094 0.126 0.000 1.055 282 V CA 2.063 64.419 62.300 0.094 0.000 1.038 282 V CB -1.096 30.770 31.823 0.070 0.000 0.651 282 V HN 0.442 nan 8.190 nan 0.000 0.450 283 G N -0.312 108.593 108.800 0.175 0.000 2.418 283 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.217 283 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.217 283 G C 1.571 176.604 174.900 0.222 0.000 1.158 283 G CA 0.883 46.121 45.100 0.230 0.000 0.771 283 G HN 0.468 nan 8.290 nan 0.000 0.545 284 L N -0.334 121.030 121.223 0.234 0.000 2.056 284 L HA -0.013 4.326 4.340 -0.000 0.000 0.207 284 L C 3.070 180.029 176.870 0.147 0.000 1.078 284 L CA 0.922 55.875 54.840 0.188 0.000 0.749 284 L CB -0.372 41.803 42.059 0.194 0.000 0.901 284 L HN 0.235 nan 8.230 nan 0.000 0.433 285 M N -0.618 119.062 119.600 0.133 0.000 2.117 285 M HA -0.211 4.269 4.480 -0.000 0.000 0.262 285 M C 2.448 178.840 176.300 0.153 0.000 1.065 285 M CA 1.636 57.009 55.300 0.121 0.000 1.114 285 M CB -0.405 32.242 32.600 0.080 0.000 1.361 285 M HN 0.141 nan 8.290 nan 0.000 0.408 286 R N 0.907 121.492 120.500 0.141 0.000 2.073 286 R HA -0.134 4.206 4.340 -0.000 0.000 0.234 286 R C 2.160 178.584 176.300 0.206 0.000 1.134 286 R CA 1.877 58.077 56.100 0.165 0.000 0.952 286 R CB -0.426 29.958 30.300 0.140 0.000 0.850 286 R HN 0.315 nan 8.270 nan 0.000 0.433 287 A N 0.658 123.576 122.820 0.163 0.000 1.908 287 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 287 A C 2.416 180.073 177.584 0.122 0.000 1.181 287 A CA 1.828 53.938 52.037 0.122 0.000 0.627 287 A CB -0.971 18.078 19.000 0.081 0.000 0.818 287 A HN 0.598 nan 8.150 nan 0.000 0.445 288 A N -1.196 121.719 122.820 0.159 0.000 1.873 288 A HA -0.010 4.310 4.320 -0.000 0.000 0.215 288 A C 2.073 179.807 177.584 0.250 0.000 1.186 288 A CA 1.569 53.728 52.037 0.205 0.000 0.616 288 A CB -0.774 18.345 19.000 0.198 0.000 0.823 288 A HN 0.681 nan 8.150 nan 0.000 0.442 289 F N 1.367 121.382 119.950 0.109 0.000 2.069 289 F HA -0.228 4.299 4.527 -0.000 0.000 0.298 289 F C 1.835 177.711 175.800 0.127 0.000 1.113 289 F CA 2.290 60.349 58.000 0.097 0.000 1.214 289 F CB -0.255 38.783 39.000 0.064 0.000 0.978 289 F HN 0.245 nan 8.300 nan 0.000 0.474 290 D N 0.485 121.021 120.400 0.227 0.000 2.123 290 D HA -0.192 4.448 4.640 -0.000 0.000 0.196 290 D C 2.353 178.686 176.300 0.055 0.000 0.992 290 D CA 1.636 55.708 54.000 0.120 0.000 0.833 290 D CB -0.753 40.146 40.800 0.165 0.000 0.954 290 D HN 0.406 nan 8.370 nan 0.000 0.455 291 A N 0.784 123.657 122.820 0.089 0.000 1.930 291 A HA 0.042 4.362 4.320 -0.000 0.000 0.217 291 A C 2.290 180.078 177.584 0.340 0.000 1.175 291 A CA 1.994 54.095 52.037 0.107 0.000 0.627 291 A CB -0.628 18.270 19.000 -0.170 0.000 0.815 291 A HN 0.229 nan 8.150 nan 0.000 0.443 292 A N -0.488 122.537 122.820 0.342 0.000 1.902 292 A HA -0.021 4.299 4.320 -0.000 0.000 0.217 292 A C 2.138 179.840 177.584 0.197 0.000 1.181 292 A CA 1.663 53.855 52.037 0.259 0.000 0.623 292 A CB -0.605 18.423 19.000 0.046 0.000 0.818 292 A HN 0.600 nan 8.150 nan 0.000 0.443 293 L N -0.112 121.061 121.223 -0.083 0.000 2.046 293 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 293 L C 2.359 179.259 176.870 0.050 0.000 1.077 293 L CA 2.512 57.285 54.840 -0.112 0.000 0.747 293 L CB -0.401 41.420 42.059 -0.396 0.000 0.896 293 L HN 0.449 nan 8.230 nan 0.000 0.432 294 K N -1.241 119.208 120.400 0.081 0.000 2.057 294 K HA -0.259 4.061 4.320 -0.000 0.000 0.207 294 K C 2.238 178.926 176.600 0.146 0.000 1.049 294 K CA 1.856 58.203 56.287 0.100 0.000 0.931 294 K CB -0.425 32.135 32.500 0.100 0.000 0.714 294 K HN 0.329 nan 8.250 nan 0.000 0.440 295 F N 1.235 121.243 119.950 0.098 0.000 2.069 295 F HA -0.267 4.260 4.527 -0.000 0.000 0.298 295 F C 2.079 177.890 175.800 0.020 0.000 1.113 295 F CA 1.887 59.945 58.000 0.097 0.000 1.214 295 F CB -0.397 38.709 39.000 0.178 0.000 0.978 295 F HN 0.111 nan 8.300 nan 0.000 0.474 296 A N 0.126 123.019 122.820 0.121 0.000 1.908 296 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 296 A C 2.167 179.653 177.584 -0.163 0.000 1.181 296 A CA 1.958 53.923 52.037 -0.120 0.000 0.627 296 A CB -0.729 18.299 19.000 0.046 0.000 0.818 296 A HN 0.490 nan 8.150 nan 0.000 0.445 297 K N -0.397 119.965 120.400 -0.065 0.000 2.365 297 K HA -0.106 4.214 4.320 -0.000 0.000 0.199 297 K C 1.507 178.050 176.600 -0.095 0.000 1.045 297 K CA 1.342 57.592 56.287 -0.061 0.000 0.962 297 K CB 0.017 32.509 32.500 -0.012 0.000 0.759 297 K HN 0.883 nan 8.250 nan 0.000 0.469 298 E N -0.360 119.755 120.200 -0.141 0.000 2.562 298 E HA 0.031 4.381 4.350 -0.000 0.000 0.214 298 E C -0.346 176.116 176.600 -0.231 0.000 0.979 298 E CA -0.063 56.250 56.400 -0.145 0.000 1.002 298 E CB 0.565 30.210 29.700 -0.092 0.000 1.048 298 E HN -0.099 nan 8.360 nan 0.000 0.488 299 D N 1.373 121.547 120.400 -0.377 0.000 2.479 299 D HA 0.048 4.688 4.640 -0.000 0.000 0.246 299 D C -0.500 175.534 176.300 -0.443 0.000 1.336 299 D CA -0.502 53.211 54.000 -0.477 0.000 0.967 299 D CB 0.912 41.191 40.800 -0.868 0.000 1.275 299 D HN 0.300 nan 8.370 nan 0.000 0.577 300 N N 2.365 120.898 118.700 -0.278 0.000 2.314 300 N HA -0.010 4.730 4.740 -0.000 0.000 0.200 300 N C -0.067 175.333 175.510 -0.183 0.000 1.135 300 N CA -0.523 52.390 53.050 -0.228 0.000 0.835 300 N CB 0.267 38.661 38.487 -0.156 0.000 0.989 300 N HN 0.165 nan 8.380 nan 0.000 0.478 301 R N 0.098 120.489 120.500 -0.182 0.000 3.516 301 R HA -0.164 4.176 4.340 -0.000 0.000 0.271 301 R C 0.915 177.177 176.300 -0.065 0.000 1.098 301 R CA 0.874 56.917 56.100 -0.094 0.000 0.732 301 R CB -2.417 27.848 30.300 -0.059 0.000 1.152 301 R HN 0.737 nan 8.270 nan 0.000 0.455 302 G N -1.741 107.017 108.800 -0.071 0.000 2.153 302 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.252 302 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.252 302 G C 0.549 175.421 174.900 -0.047 0.000 0.994 302 G CA 0.615 45.686 45.100 -0.049 0.000 0.698 302 G HN 0.830 nan 8.290 nan 0.000 0.521 303 G N -1.657 107.106 108.800 -0.061 0.000 2.528 303 G HA2 0.706 4.666 3.960 -0.000 0.000 0.289 303 G HA3 0.706 4.666 3.960 -0.000 0.000 0.289 303 G C 1.090 175.962 174.900 -0.047 0.000 1.192 303 G CA 0.272 45.341 45.100 -0.052 0.000 0.921 303 G HN 1.236 nan 8.290 nan 0.000 0.512 304 A N -0.971 121.827 122.820 -0.037 0.000 2.167 304 A HA 0.428 4.748 4.320 -0.000 0.000 0.214 304 A C 1.000 178.563 177.584 -0.035 0.000 1.151 304 A CA 1.400 53.418 52.037 -0.031 0.000 0.735 304 A CB -0.566 18.420 19.000 -0.023 0.000 0.802 304 A HN 1.580 nan 8.150 nan 0.000 0.467 305 V N -5.470 114.418 119.914 -0.043 0.000 3.130 305 V HA 0.649 4.769 4.120 -0.000 0.000 0.310 305 V C -3.347 172.706 176.094 -0.068 0.000 1.158 305 V CA -2.934 59.339 62.300 -0.045 0.000 1.029 305 V CB 1.280 33.083 31.823 -0.032 0.000 1.057 305 V HN -0.024 nan 8.190 nan 0.000 0.436 306 P HA 0.197 nan 4.420 nan 0.000 0.269 306 P C 0.658 177.878 177.300 -0.134 0.000 1.209 306 P CA -0.175 62.865 63.100 -0.099 0.000 0.776 306 P CB 0.578 32.236 31.700 -0.069 0.000 0.876 307 L N 3.303 124.388 121.223 -0.230 0.000 2.081 307 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 307 L C 1.863 178.548 176.870 -0.308 0.000 1.080 307 L CA 1.763 56.370 54.840 -0.387 0.000 0.754 307 L CB -1.113 40.537 42.059 -0.682 0.000 0.893 307 L HN 0.392 nan 8.230 nan 0.000 0.433 308 L N -0.971 120.168 121.223 -0.140 0.000 2.456 308 L HA -0.147 4.193 4.340 -0.000 0.000 0.224 308 L C 2.085 179.001 176.870 0.076 0.000 1.148 308 L CA 0.624 55.511 54.840 0.078 0.000 0.825 308 L CB -0.419 41.703 42.059 0.105 0.000 0.937 308 L HN 0.356 nan 8.230 nan 0.000 0.450 309 E N 0.032 120.240 120.200 0.013 0.000 2.482 309 E HA -0.020 4.330 4.350 -0.000 0.000 0.196 309 E C 0.171 176.793 176.600 0.037 0.000 1.047 309 E CA 0.063 56.477 56.400 0.023 0.000 0.869 309 E CB 0.267 29.967 29.700 -0.001 0.000 0.836 309 E HN 0.332 nan 8.360 nan 0.000 0.520 310 R N 1.451 121.981 120.500 0.051 0.000 2.216 310 R HA 0.121 4.461 4.340 -0.000 0.000 0.332 310 R C 0.981 177.353 176.300 0.121 0.000 1.056 310 R CA 0.047 56.191 56.100 0.073 0.000 0.901 310 R CB 0.533 30.876 30.300 0.073 0.000 1.039 310 R HN 0.240 nan 8.270 nan 0.000 0.456 311 Q N 1.766 121.615 119.800 0.083 0.000 2.096 311 Q HA -0.190 4.150 4.340 -0.000 0.000 0.204 311 Q C 1.781 177.832 176.000 0.084 0.000 0.982 311 Q CA 2.189 58.038 55.803 0.076 0.000 0.850 311 Q CB -0.075 28.692 28.738 0.048 0.000 0.901 311 Q HN 0.732 nan 8.270 nan 0.000 0.422 312 A N 0.426 123.299 122.820 0.088 0.000 1.930 312 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 312 A C 1.830 179.470 177.584 0.092 0.000 1.175 312 A CA 1.017 53.097 52.037 0.073 0.000 0.627 312 A CB -0.625 18.414 19.000 0.064 0.000 0.815 312 A HN 0.436 nan 8.150 nan 0.000 0.443 313 F N 0.817 120.774 119.950 0.011 0.000 2.098 313 F HA 0.061 4.588 4.527 -0.000 0.000 0.294 313 F C 2.537 178.350 175.800 0.023 0.000 1.107 313 F CA 1.195 59.203 58.000 0.014 0.000 1.234 313 F CB -0.482 38.529 39.000 0.019 0.000 1.002 313 F HN 0.238 nan 8.300 nan 0.000 0.472 314 A N 0.226 123.189 122.820 0.239 0.000 1.917 314 A HA -0.249 4.071 4.320 -0.000 0.000 0.219 314 A C 1.894 179.483 177.584 0.009 0.000 1.182 314 A CA 2.253 54.370 52.037 0.133 0.000 0.633 314 A CB -1.134 17.960 19.000 0.156 0.000 0.819 314 A HN 0.488 nan 8.150 nan 0.000 0.448 315 D N -0.557 119.848 120.400 0.008 0.000 2.178 315 D HA -0.077 4.563 4.640 -0.000 0.000 0.202 315 D C 1.725 177.998 176.300 -0.045 0.000 0.974 315 D CA 0.529 54.526 54.000 -0.006 0.000 0.841 315 D CB -0.217 40.586 40.800 0.005 0.000 0.953 315 D HN 0.239 nan 8.370 nan 0.000 0.478 316 L N 0.584 121.740 121.223 -0.112 0.000 2.056 316 L HA -0.074 4.266 4.340 -0.000 0.000 0.207 316 L C 2.308 179.097 176.870 -0.135 0.000 1.078 316 L CA 1.151 55.903 54.840 -0.146 0.000 0.749 316 L CB -0.963 40.957 42.059 -0.233 0.000 0.901 316 L HN 0.121 nan 8.230 nan 0.000 0.433 317 L N -0.829 120.268 121.223 -0.210 0.000 2.027 317 L HA -0.178 4.162 4.340 -0.000 0.000 0.206 317 L C 2.627 179.606 176.870 0.181 0.000 1.074 317 L CA 1.755 56.566 54.840 -0.048 0.000 0.745 317 L CB -1.016 40.951 42.059 -0.153 0.000 0.898 317 L HN 0.439 nan 8.230 nan 0.000 0.433 318 S N -0.144 115.619 115.700 0.106 0.000 2.402 318 S HA -0.105 4.365 4.470 -0.000 0.000 0.229 318 S C 2.081 176.705 174.600 0.040 0.000 1.021 318 S CA 0.955 59.214 58.200 0.099 0.000 0.974 318 S CB -0.914 62.325 63.200 0.065 0.000 0.800 318 S HN 0.415 nan 8.310 nan 0.000 0.484 319 G N 1.663 110.476 108.800 0.021 0.000 2.446 319 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.217 319 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.217 319 G C 1.448 176.353 174.900 0.008 0.000 1.168 319 G CA 1.118 46.221 45.100 0.005 0.000 0.771 319 G HN 0.480 nan 8.290 nan 0.000 0.551 320 V N 0.930 120.866 119.914 0.037 0.000 2.295 320 V HA -0.155 3.965 4.120 -0.000 0.000 0.246 320 V C 2.713 178.796 176.094 -0.018 0.000 1.049 320 V CA 2.294 64.627 62.300 0.054 0.000 1.024 320 V CB -0.386 31.528 31.823 0.152 0.000 0.648 320 V HN 0.352 nan 8.190 nan 0.000 0.447 321 K N 0.623 120.967 120.400 -0.094 0.000 2.032 321 K HA -0.146 4.174 4.320 -0.000 0.000 0.209 321 K C 1.804 178.279 176.600 -0.208 0.000 1.048 321 K CA 1.784 57.836 56.287 -0.392 0.000 0.927 321 K CB -0.666 31.506 32.500 -0.546 0.000 0.712 321 K HN 0.452 nan 8.250 nan 0.000 0.441 322 I N 0.792 121.299 120.570 -0.106 0.000 2.163 322 I HA -0.342 3.828 4.170 -0.000 0.000 0.243 322 I C 2.382 178.485 176.117 -0.023 0.000 1.085 322 I CA 1.332 62.594 61.300 -0.063 0.000 1.347 322 I CB -0.345 37.639 38.000 -0.028 0.000 1.044 322 I HN 0.270 nan 8.210 nan 0.000 0.408 323 Q N 0.108 119.912 119.800 0.006 0.000 2.124 323 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 323 Q C 2.310 178.359 176.000 0.081 0.000 0.977 323 Q CA 1.990 57.838 55.803 0.075 0.000 0.850 323 Q CB -0.701 28.048 28.738 0.018 0.000 0.901 323 Q HN 0.529 nan 8.270 nan 0.000 0.429 324 T N 1.700 116.249 114.554 -0.008 0.000 2.777 324 T HA -0.111 4.239 4.350 -0.000 0.000 0.266 324 T C 1.620 176.280 174.700 -0.066 0.000 1.040 324 T CA 1.085 63.168 62.100 -0.028 0.000 1.141 324 T CB -0.025 68.789 68.868 -0.090 0.000 0.868 324 T HN 0.239 nan 8.240 nan 0.000 0.444 325 E N 1.482 121.613 120.200 -0.115 0.000 2.077 325 E HA -0.052 4.298 4.350 -0.000 0.000 0.193 325 E C 2.574 179.091 176.600 -0.139 0.000 0.989 325 E CA 1.186 57.491 56.400 -0.159 0.000 0.800 325 E CB -0.540 29.057 29.700 -0.171 0.000 0.746 325 E HN 0.528 nan 8.360 nan 0.000 0.452 326 A N 1.509 124.289 122.820 -0.066 0.000 1.930 326 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 326 A C 2.425 179.948 177.584 -0.102 0.000 1.175 326 A CA 1.921 53.904 52.037 -0.090 0.000 0.627 326 A CB -0.503 18.485 19.000 -0.020 0.000 0.815 326 A HN 0.265 nan 8.150 nan 0.000 0.443 327 A N -0.430 122.453 122.820 0.105 0.000 1.898 327 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 327 A C 2.270 179.848 177.584 -0.009 0.000 1.181 327 A CA 1.645 53.790 52.037 0.180 0.000 0.620 327 A CB -0.467 18.703 19.000 0.284 0.000 0.819 327 A HN 0.528 nan 8.150 nan 0.000 0.442 328 R N -0.518 119.908 120.500 -0.124 0.000 2.075 328 R HA -0.054 4.286 4.340 -0.000 0.000 0.232 328 R C 2.351 178.413 176.300 -0.397 0.000 1.126 328 R CA 1.268 57.178 56.100 -0.317 0.000 0.963 328 R CB -0.374 29.636 30.300 -0.483 0.000 0.858 328 R HN 0.444 nan 8.270 nan 0.000 0.435 329 A N 1.229 123.883 122.820 -0.277 0.000 1.883 329 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 329 A C 2.027 179.611 177.584 0.000 0.000 1.186 329 A CA 1.362 53.335 52.037 -0.107 0.000 0.624 329 A CB -0.635 18.310 19.000 -0.092 0.000 0.822 329 A HN 0.382 nan 8.150 nan 0.000 0.444 330 L N -0.407 120.770 121.223 -0.077 0.000 2.056 330 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 330 L C 2.422 179.313 176.870 0.035 0.000 1.078 330 L CA 2.807 57.609 54.840 -0.062 0.000 0.749 330 L CB -1.104 40.827 42.059 -0.213 0.000 0.901 330 L HN 0.353 nan 8.230 nan 0.000 0.433 331 T N -1.219 113.371 114.554 0.060 0.000 2.746 331 T HA -0.198 4.152 4.350 -0.000 0.000 0.267 331 T C 1.429 176.306 174.700 0.296 0.000 1.039 331 T CA 1.790 63.982 62.100 0.154 0.000 1.142 331 T CB -0.430 68.537 68.868 0.165 0.000 0.866 331 T HN 0.435 nan 8.240 nan 0.000 0.444 332 W N 1.885 123.201 121.300 0.028 0.000 2.381 332 W HA 0.081 4.741 4.660 -0.000 0.000 0.301 332 W C 2.419 178.945 176.519 0.012 0.000 1.205 332 W CA 0.314 57.672 57.345 0.022 0.000 1.285 332 W CB -1.042 28.435 29.460 0.030 0.000 1.133 332 W HN 0.181 nan 8.180 nan 0.000 0.521 333 K N 0.978 121.517 120.400 0.231 0.000 2.032 333 K HA -0.165 4.155 4.320 -0.000 0.000 0.209 333 K C 2.068 178.732 176.600 0.107 0.000 1.048 333 K CA 2.382 58.738 56.287 0.115 0.000 0.927 333 K CB -0.906 31.633 32.500 0.066 0.000 0.712 333 K HN -0.060 nan 8.250 nan 0.000 0.441 334 A N 0.425 123.301 122.820 0.094 0.000 1.898 334 A HA 0.019 4.339 4.320 -0.000 0.000 0.216 334 A C 2.402 180.018 177.584 0.053 0.000 1.181 334 A CA 2.007 54.078 52.037 0.057 0.000 0.620 334 A CB -1.089 17.939 19.000 0.047 0.000 0.819 334 A HN 0.460 nan 8.150 nan 0.000 0.442 335 A N -1.235 121.633 122.820 0.081 0.000 1.902 335 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 335 A C 2.160 179.750 177.584 0.010 0.000 1.181 335 A CA 1.753 53.811 52.037 0.034 0.000 0.623 335 A CB -0.953 18.061 19.000 0.023 0.000 0.818 335 A HN 0.752 nan 8.150 nan 0.000 0.443 336 H N -0.020 119.023 119.070 -0.045 0.000 2.293 336 H HA -0.065 4.491 4.556 -0.000 0.000 0.300 336 H C 2.314 177.610 175.328 -0.052 0.000 1.082 336 H CA 1.800 57.807 56.048 -0.069 0.000 1.308 336 H CB -0.197 29.514 29.762 -0.085 0.000 1.375 336 H HN 0.401 nan 8.280 nan 0.000 0.495 337 A N 1.429 124.265 122.820 0.028 0.000 1.933 337 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 337 A C 2.547 180.086 177.584 -0.075 0.000 1.175 337 A CA 1.449 53.471 52.037 -0.025 0.000 0.628 337 A CB -0.523 18.486 19.000 0.015 0.000 0.814 337 A HN 0.365 nan 8.150 nan 0.000 0.444 338 M N -0.395 119.170 119.600 -0.057 0.000 2.195 338 M HA -0.154 4.326 4.480 -0.000 0.000 0.260 338 M C 1.458 177.738 176.300 -0.033 0.000 1.066 338 M CA 1.568 56.849 55.300 -0.033 0.000 1.089 338 M CB -1.074 31.519 32.600 -0.012 0.000 1.377 338 M HN 0.545 nan 8.290 nan 0.000 0.411 339 E N -1.397 118.739 120.200 -0.106 0.000 2.489 339 E HA 0.082 4.432 4.350 -0.000 0.000 0.204 339 E C 0.891 177.389 176.600 -0.171 0.000 1.006 339 E CA -0.012 56.316 56.400 -0.119 0.000 0.936 339 E CB 0.496 30.122 29.700 -0.123 0.000 1.002 339 E HN 0.523 nan 8.360 nan 0.000 0.488 340 N N -0.097 118.453 118.700 -0.249 0.000 2.113 340 N HA 0.090 4.830 4.740 -0.000 0.000 0.223 340 N C 0.632 176.058 175.510 -0.139 0.000 1.310 340 N CA 0.689 53.581 53.050 -0.263 0.000 0.896 340 N CB 2.093 40.230 38.487 -0.582 0.000 1.097 340 N HN 0.120 nan 8.380 nan 0.000 0.507 341 G N 2.549 111.292 108.800 -0.095 0.000 2.645 341 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.246 341 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.246 341 G C -2.673 172.231 174.900 0.007 0.000 1.322 341 G CA -0.546 44.534 45.100 -0.034 0.000 0.898 341 G HN 0.107 nan 8.290 nan 0.000 0.573 342 P HA 0.526 nan 4.420 nan 0.000 0.286 342 P C 0.584 177.875 177.300 -0.015 0.000 1.293 342 P CA 1.425 64.525 63.100 -0.001 0.000 0.770 342 P CB 0.391 32.095 31.700 0.007 0.000 1.206 343 G N -0.081 108.709 108.800 -0.016 0.000 2.675 343 G HA2 0.009 3.969 3.960 -0.000 0.000 0.686 343 G HA3 0.009 3.969 3.960 -0.000 0.000 0.686 343 G C -0.699 174.190 174.900 -0.019 0.000 1.215 343 G CA -0.225 44.856 45.100 -0.032 0.000 0.777 343 G HN 0.830 nan 8.290 nan 0.000 0.638 344 D N -0.192 120.199 120.400 -0.015 0.000 2.380 344 D HA 0.313 4.952 4.640 -0.000 0.000 0.254 344 D C 1.448 177.771 176.300 0.038 0.000 1.288 344 D CA -0.105 53.910 54.000 0.024 0.000 1.008 344 D CB 0.189 41.007 40.800 0.030 0.000 1.099 344 D HN 0.515 nan 8.370 nan 0.000 0.537 345 Y N -0.031 120.253 120.300 -0.027 0.000 2.207 345 Y HA -0.197 4.353 4.550 -0.000 0.000 0.287 345 Y C 1.626 177.512 175.900 -0.024 0.000 1.156 345 Y CA 2.079 60.163 58.100 -0.026 0.000 1.182 345 Y CB -0.286 38.160 38.460 -0.024 0.000 0.979 345 Y HN 0.283 nan 8.280 nan 0.000 0.521 346 D N -0.178 120.193 120.400 -0.047 0.000 2.123 346 D HA -0.191 4.449 4.640 -0.000 0.000 0.196 346 D C 2.253 178.466 176.300 -0.146 0.000 0.992 346 D CA 1.516 55.457 54.000 -0.098 0.000 0.833 346 D CB -0.538 40.267 40.800 0.007 0.000 0.954 346 D HN 0.472 nan 8.370 nan 0.000 0.455 347 A N 0.822 123.565 122.820 -0.129 0.000 1.929 347 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 347 A C 2.175 179.666 177.584 -0.156 0.000 1.176 347 A CA 0.956 52.910 52.037 -0.139 0.000 0.628 347 A CB -0.290 18.630 19.000 -0.134 0.000 0.816 347 A HN 0.117 nan 8.150 nan 0.000 0.444 348 R N -0.642 119.738 120.500 -0.201 0.000 2.075 348 R HA -0.102 4.238 4.340 -0.000 0.000 0.232 348 R C 2.486 178.629 176.300 -0.261 0.000 1.126 348 R CA 1.504 57.482 56.100 -0.204 0.000 0.963 348 R CB -0.353 29.830 30.300 -0.196 0.000 0.858 348 R HN 0.631 nan 8.270 nan 0.000 0.435 349 R N 1.514 121.749 120.500 -0.441 0.000 2.096 349 R HA -0.161 4.179 4.340 -0.000 0.000 0.235 349 R C 2.038 178.231 176.300 -0.178 0.000 1.127 349 R CA 1.748 57.619 56.100 -0.382 0.000 0.968 349 R CB -0.152 29.803 30.300 -0.575 0.000 0.861 349 R HN 0.275 nan 8.270 nan 0.000 0.440 350 E N 0.684 120.802 120.200 -0.136 0.000 2.118 350 E HA -0.208 4.142 4.350 -0.000 0.000 0.195 350 E C 1.968 178.542 176.600 -0.042 0.000 0.992 350 E CA 1.369 57.734 56.400 -0.058 0.000 0.804 350 E CB -0.051 29.641 29.700 -0.013 0.000 0.741 350 E HN 0.479 nan 8.360 nan 0.000 0.458 351 L N 0.159 121.349 121.223 -0.056 0.000 2.093 351 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 351 L C 2.689 179.553 176.870 -0.011 0.000 1.085 351 L CA 0.872 55.696 54.840 -0.027 0.000 0.755 351 L CB -0.450 41.593 42.059 -0.026 0.000 0.904 351 L HN 0.194 nan 8.230 nan 0.000 0.435 352 A N 0.369 123.171 122.820 -0.030 0.000 1.902 352 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 352 A C 2.233 179.827 177.584 0.017 0.000 1.181 352 A CA 1.421 53.455 52.037 -0.005 0.000 0.623 352 A CB -0.677 18.309 19.000 -0.024 0.000 0.818 352 A HN 0.353 nan 8.150 nan 0.000 0.443 353 L N -0.827 120.399 121.223 0.004 0.000 2.083 353 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 353 L C 3.089 179.985 176.870 0.043 0.000 1.083 353 L CA 0.984 55.839 54.840 0.025 0.000 0.752 353 L CB -0.612 41.455 42.059 0.014 0.000 0.899 353 L HN 0.431 nan 8.230 nan 0.000 0.433 354 A N 0.216 123.058 122.820 0.037 0.000 1.908 354 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 354 A C 2.549 180.194 177.584 0.103 0.000 1.181 354 A CA 1.862 53.936 52.037 0.062 0.000 0.627 354 A CB -0.683 18.337 19.000 0.033 0.000 0.818 354 A HN 0.406 nan 8.150 nan 0.000 0.445 355 A N -0.421 122.447 122.820 0.080 0.000 1.873 355 A HA -0.143 4.177 4.320 -0.000 0.000 0.215 355 A C 2.184 179.852 177.584 0.141 0.000 1.186 355 A CA 1.913 54.016 52.037 0.109 0.000 0.616 355 A CB -0.469 18.581 19.000 0.082 0.000 0.823 355 A HN 0.374 nan 8.150 nan 0.000 0.442 356 K N 0.080 120.542 120.400 0.103 0.000 2.001 356 K HA -0.149 4.171 4.320 -0.000 0.000 0.214 356 K C 1.996 178.657 176.600 0.103 0.000 1.050 356 K CA 2.119 58.465 56.287 0.098 0.000 0.934 356 K CB -0.781 31.765 32.500 0.076 0.000 0.718 356 K HN 0.262 nan 8.250 nan 0.000 0.443 357 V N 1.022 120.995 119.914 0.098 0.000 2.295 357 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 357 V C 2.286 178.440 176.094 0.099 0.000 1.049 357 V CA 1.998 64.347 62.300 0.081 0.000 1.024 357 V CB -0.623 31.242 31.823 0.070 0.000 0.648 357 V HN 0.281 nan 8.190 nan 0.000 0.447 358 F N 0.583 120.544 119.950 0.017 0.000 2.069 358 F HA -0.245 4.282 4.527 -0.000 0.000 0.298 358 F C 2.394 178.204 175.800 0.017 0.000 1.113 358 F CA 2.241 60.250 58.000 0.016 0.000 1.214 358 F CB -0.461 38.548 39.000 0.016 0.000 0.978 358 F HN 0.163 nan 8.300 nan 0.000 0.474 359 C N 0.035 119.462 119.300 0.211 0.000 2.475 359 C HA -0.077 4.383 4.460 -0.000 0.000 0.279 359 C C 3.150 178.145 174.990 0.008 0.000 1.322 359 C CA 1.022 60.111 59.018 0.119 0.000 1.734 359 C CB -1.417 26.433 27.740 0.184 0.000 2.005 359 C HN 0.688 nan 8.230 nan 0.000 0.495 360 S N 1.819 117.535 115.700 0.026 0.000 2.356 360 S HA -0.205 4.265 4.470 -0.000 0.000 0.223 360 S C 1.533 176.110 174.600 -0.038 0.000 1.032 360 S CA 1.598 59.806 58.200 0.014 0.000 1.005 360 S CB -0.601 62.622 63.200 0.039 0.000 0.867 360 S HN 0.726 nan 8.310 nan 0.000 0.449 361 E N 1.738 121.890 120.200 -0.081 0.000 2.107 361 E HA 0.076 4.426 4.350 -0.000 0.000 0.191 361 E C 2.412 178.914 176.600 -0.163 0.000 0.982 361 E CA 0.814 57.146 56.400 -0.113 0.000 0.809 361 E CB -0.384 29.244 29.700 -0.120 0.000 0.756 361 E HN 0.698 nan 8.360 nan 0.000 0.459 362 A N 1.471 124.130 122.820 -0.268 0.000 1.972 362 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 362 A C 2.359 179.873 177.584 -0.117 0.000 1.169 362 A CA 1.526 53.397 52.037 -0.278 0.000 0.635 362 A CB -0.493 18.233 19.000 -0.455 0.000 0.810 362 A HN 0.284 nan 8.150 nan 0.000 0.446 363 A N -0.524 122.258 122.820 -0.063 0.000 1.898 363 A HA 0.024 4.344 4.320 -0.000 0.000 0.216 363 A C 2.216 179.802 177.584 0.003 0.000 1.181 363 A CA 1.709 53.747 52.037 0.002 0.000 0.620 363 A CB -0.868 18.155 19.000 0.039 0.000 0.819 363 A HN 0.361 nan 8.150 nan 0.000 0.442 364 V N 0.332 120.236 119.914 -0.017 0.000 2.295 364 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 364 V C 2.581 178.665 176.094 -0.016 0.000 1.049 364 V CA 2.458 64.751 62.300 -0.011 0.000 1.024 364 V CB -0.635 31.174 31.823 -0.023 0.000 0.648 364 V HN 0.649 nan 8.190 nan 0.000 0.447 365 K N 1.103 121.479 120.400 -0.041 0.000 2.097 365 K HA -0.106 4.214 4.320 -0.000 0.000 0.206 365 K C 2.021 178.607 176.600 -0.024 0.000 1.049 365 K CA 1.778 58.040 56.287 -0.042 0.000 0.933 365 K CB -0.671 31.787 32.500 -0.070 0.000 0.717 365 K HN 0.389 nan 8.250 nan 0.000 0.442 366 A N 0.041 122.852 122.820 -0.015 0.000 1.898 366 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 366 A C 2.496 180.101 177.584 0.035 0.000 1.181 366 A CA 1.664 53.709 52.037 0.014 0.000 0.620 366 A CB -1.126 17.895 19.000 0.036 0.000 0.819 366 A HN 0.521 nan 8.150 nan 0.000 0.442 367 C N -0.287 119.040 119.300 0.045 0.000 2.429 367 C HA -0.103 4.357 4.460 -0.000 0.000 0.277 367 C C 3.262 178.276 174.990 0.040 0.000 1.262 367 C CA 1.696 60.755 59.018 0.068 0.000 1.733 367 C CB -1.472 26.310 27.740 0.071 0.000 2.010 367 C HN 0.806 nan 8.230 nan 0.000 0.483 368 T N -1.061 113.502 114.554 0.014 0.000 2.821 368 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 368 T C 1.240 175.923 174.700 -0.029 0.000 1.046 368 T CA 1.812 63.911 62.100 -0.002 0.000 1.139 368 T CB -0.426 68.438 68.868 -0.007 0.000 0.871 368 T HN 0.368 nan 8.240 nan 0.000 0.454 369 D N 1.106 121.486 120.400 -0.033 0.000 2.097 369 D HA -0.038 4.602 4.640 -0.000 0.000 0.195 369 D C 2.304 178.544 176.300 -0.099 0.000 0.989 369 D CA 0.724 54.688 54.000 -0.059 0.000 0.827 369 D CB -0.562 40.209 40.800 -0.050 0.000 0.966 369 D HN 0.264 nan 8.370 nan 0.000 0.456 370 V N 0.994 120.859 119.914 -0.081 0.000 2.407 370 V HA -0.197 3.923 4.120 -0.000 0.000 0.248 370 V C 2.461 178.385 176.094 -0.282 0.000 1.055 370 V CA 0.926 63.136 62.300 -0.149 0.000 1.049 370 V CB -0.258 31.559 31.823 -0.010 0.000 0.662 370 V HN 0.197 nan 8.190 nan 0.000 0.455 371 I N 0.361 120.816 120.570 -0.192 0.000 2.163 371 I HA -0.257 3.913 4.170 -0.000 0.000 0.243 371 I C 2.338 178.344 176.117 -0.186 0.000 1.085 371 I CA 1.567 62.741 61.300 -0.211 0.000 1.347 371 I CB -0.482 37.483 38.000 -0.058 0.000 1.044 371 I HN 0.375 nan 8.210 nan 0.000 0.408 372 N N 0.989 119.614 118.700 -0.125 0.000 2.188 372 N HA -0.117 4.623 4.740 -0.000 0.000 0.184 372 N C 1.870 177.331 175.510 -0.082 0.000 1.018 372 N CA 1.568 54.564 53.050 -0.091 0.000 0.858 372 N CB -0.373 38.075 38.487 -0.066 0.000 0.989 372 N HN 0.366 nan 8.380 nan 0.000 0.426 373 A N 0.705 123.448 122.820 -0.129 0.000 1.873 373 A HA -0.055 4.265 4.320 -0.000 0.000 0.215 373 A C 2.482 180.133 177.584 0.112 0.000 1.186 373 A CA 1.259 53.243 52.037 -0.088 0.000 0.616 373 A CB -0.757 17.988 19.000 -0.425 0.000 0.823 373 A HN 0.101 nan 8.150 nan 0.000 0.442 374 V N -0.960 118.863 119.914 -0.151 0.000 2.515 374 V HA 0.206 4.326 4.120 -0.000 0.000 0.250 374 V C 1.740 177.688 176.094 -0.244 0.000 1.058 374 V CA 1.246 63.335 62.300 -0.351 0.000 1.064 374 V CB -1.583 29.618 31.823 -1.036 0.000 0.675 374 V HN 1.234 nan 8.190 nan 0.000 0.461 375 G N -0.171 108.524 108.800 -0.176 0.000 2.527 375 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.227 375 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.227 375 G C 0.389 175.232 174.900 -0.095 0.000 1.291 375 G CA 0.043 45.091 45.100 -0.086 0.000 0.904 375 G HN 0.185 nan 8.290 nan 0.000 0.577 376 I N 1.404 121.950 120.570 -0.040 0.000 2.361 376 I HA -0.048 4.122 4.170 -0.000 0.000 0.251 376 I C 2.775 178.908 176.117 0.026 0.000 1.133 376 I CA 2.751 64.043 61.300 -0.013 0.000 1.413 376 I CB -0.513 37.487 38.000 -0.000 0.000 1.073 376 I HN 0.528 nan 8.210 nan 0.000 0.424 377 S N 0.764 116.461 115.700 -0.005 0.000 2.420 377 S HA -0.200 4.270 4.470 -0.000 0.000 0.237 377 S C 2.079 176.678 174.600 -0.001 0.000 1.023 377 S CA 1.160 59.364 58.200 0.006 0.000 0.991 377 S CB -0.627 62.558 63.200 -0.025 0.000 0.792 377 S HN 0.672 nan 8.310 nan 0.000 0.488 378 A N -0.538 122.231 122.820 -0.085 0.000 2.168 378 A HA 0.036 4.356 4.320 -0.000 0.000 0.215 378 A C 1.596 179.280 177.584 0.168 0.000 1.152 378 A CA 0.629 52.661 52.037 -0.007 0.000 0.716 378 A CB -0.528 18.328 19.000 -0.239 0.000 0.794 378 A HN 0.531 nan 8.150 nan 0.000 0.465 379 Y N 0.435 120.736 120.300 0.001 0.000 2.490 379 Y HA 0.119 4.669 4.550 -0.000 0.000 0.281 379 Y C 0.279 176.200 175.900 0.035 0.000 1.174 379 Y CA -0.638 57.473 58.100 0.019 0.000 1.295 379 Y CB 0.070 38.533 38.460 0.006 0.000 1.062 379 Y HN 0.281 nan 8.280 nan 0.000 0.522 380 D N 0.337 120.795 120.400 0.096 0.000 2.316 380 D HA 0.077 4.717 4.640 -0.000 0.000 0.245 380 D C 0.855 177.164 176.300 0.014 0.000 1.171 380 D CA 0.084 54.112 54.000 0.046 0.000 0.856 380 D CB 0.880 41.728 40.800 0.080 0.000 1.090 380 D HN 0.242 nan 8.370 nan 0.000 0.476 381 L N 3.094 124.297 121.223 -0.034 0.000 2.549 381 L HA -0.091 4.249 4.340 -0.000 0.000 0.229 381 L C 2.115 178.974 176.870 -0.018 0.000 1.158 381 L CA 0.513 55.331 54.840 -0.037 0.000 0.842 381 L CB -0.128 41.896 42.059 -0.058 0.000 0.952 381 L HN 0.473 nan 8.230 nan 0.000 0.452 382 Q N 0.039 119.839 119.800 0.000 0.000 2.291 382 Q HA -0.036 4.304 4.340 -0.000 0.000 0.205 382 Q C 0.486 176.485 176.000 -0.003 0.000 0.970 382 Q CA 0.722 56.526 55.803 0.002 0.000 0.876 382 Q CB 0.173 28.922 28.738 0.019 0.000 0.935 382 Q HN 0.521 nan 8.270 nan 0.000 0.455 383 R N 0.823 121.332 120.500 0.014 0.000 2.573 383 R HA 0.150 4.490 4.340 -0.000 0.000 0.272 383 R C -1.756 174.470 176.300 -0.123 0.000 1.009 383 R CA -1.667 54.423 56.100 -0.016 0.000 1.059 383 R CB 0.336 30.724 30.300 0.146 0.000 1.112 383 R HN -0.073 nan 8.270 nan 0.000 0.517 384 P HA -0.030 nan 4.420 nan 0.000 0.245 384 P C 0.528 177.633 177.300 -0.325 0.000 1.206 384 P CA 0.801 63.686 63.100 -0.358 0.000 0.781 384 P CB 0.218 31.652 31.700 -0.444 0.000 0.994 385 F N 0.928 120.864 119.950 -0.024 0.000 2.134 385 F HA -0.114 4.413 4.527 -0.000 0.000 0.299 385 F C 2.915 178.707 175.800 -0.013 0.000 1.097 385 F CA 1.526 59.513 58.000 -0.022 0.000 1.264 385 F CB -1.528 37.448 39.000 -0.041 0.000 1.001 385 F HN -0.018 nan 8.300 nan 0.000 0.479 386 S N -0.013 115.769 115.700 0.137 0.000 2.356 386 S HA -0.197 4.273 4.470 -0.000 0.000 0.223 386 S C 1.908 176.525 174.600 0.029 0.000 1.032 386 S CA 1.794 60.033 58.200 0.065 0.000 1.005 386 S CB -0.479 62.721 63.200 -0.001 0.000 0.867 386 S HN 0.270 nan 8.310 nan 0.000 0.449 387 D N 1.004 121.403 120.400 -0.003 0.000 2.123 387 D HA -0.072 4.568 4.640 -0.000 0.000 0.196 387 D C 1.926 178.214 176.300 -0.020 0.000 0.992 387 D CA 0.665 54.653 54.000 -0.020 0.000 0.833 387 D CB -0.465 40.311 40.800 -0.040 0.000 0.954 387 D HN 0.260 nan 8.370 nan 0.000 0.455 388 L N 0.483 121.700 121.223 -0.010 0.000 1.989 388 L HA -0.152 4.188 4.340 -0.000 0.000 0.211 388 L C 2.368 179.262 176.870 0.040 0.000 1.071 388 L CA 1.205 56.054 54.840 0.015 0.000 0.749 388 L CB -1.287 40.797 42.059 0.042 0.000 0.890 388 L HN 0.120 nan 8.230 nan 0.000 0.431 389 L N -0.120 121.138 121.223 0.058 0.000 2.012 389 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 389 L C 2.152 179.045 176.870 0.038 0.000 1.073 389 L CA 1.823 56.695 54.840 0.054 0.000 0.748 389 L CB -0.929 41.168 42.059 0.063 0.000 0.891 389 L HN 0.363 nan 8.230 nan 0.000 0.431 390 N N -1.260 117.459 118.700 0.031 0.000 2.512 390 N HA -0.093 4.647 4.740 -0.000 0.000 0.183 390 N C 1.463 176.992 175.510 0.033 0.000 1.073 390 N CA 1.402 54.471 53.050 0.031 0.000 0.911 390 N CB 0.005 38.508 38.487 0.028 0.000 0.964 390 N HN 0.487 nan 8.380 nan 0.000 0.447 391 T N 0.493 115.052 114.554 0.009 0.000 2.852 391 T HA 0.090 4.440 4.350 -0.000 0.000 0.256 391 T C 2.072 176.828 174.700 0.093 0.000 1.038 391 T CA 0.851 62.952 62.100 0.002 0.000 1.141 391 T CB -0.098 68.702 68.868 -0.114 0.000 0.869 391 T HN 0.230 nan 8.240 nan 0.000 0.439 392 A N 1.937 124.797 122.820 0.066 0.000 1.940 392 A HA -0.083 4.237 4.320 -0.000 0.000 0.219 392 A C 2.566 180.151 177.584 0.002 0.000 1.176 392 A CA 1.845 53.916 52.037 0.056 0.000 0.631 392 A CB -1.134 17.897 19.000 0.052 0.000 0.814 392 A HN 0.494 nan 8.150 nan 0.000 0.446 393 V N -2.806 117.106 119.914 -0.003 0.000 2.913 393 V HA -0.109 4.011 4.120 -0.000 0.000 0.260 393 V C 2.068 178.111 176.094 -0.086 0.000 1.098 393 V CA 1.793 64.074 62.300 -0.031 0.000 1.121 393 V CB -1.005 30.811 31.823 -0.012 0.000 0.714 393 V HN 0.207 nan 8.190 nan 0.000 0.487 394 V N 0.025 119.858 119.914 -0.135 0.000 2.809 394 V HA -0.060 4.060 4.120 -0.000 0.000 0.256 394 V C 2.318 178.107 176.094 -0.509 0.000 1.080 394 V CA 1.653 63.759 62.300 -0.324 0.000 1.102 394 V CB -0.116 31.456 31.823 -0.419 0.000 0.705 394 V HN 0.565 nan 8.190 nan 0.000 0.475 395 L N 0.418 121.431 121.223 -0.350 0.000 2.017 395 L HA -0.099 4.240 4.340 -0.000 0.000 0.208 395 L C -0.050 176.818 176.870 -0.004 0.000 1.073 395 L CA 1.723 56.432 54.840 -0.219 0.000 0.745 395 L CB -1.964 40.074 42.059 -0.036 0.000 0.894 395 L HN 0.347 nan 8.230 nan 0.000 0.432 396 P HA -0.121 nan 4.420 nan 0.000 0.221 396 P C 1.589 178.895 177.300 0.011 0.000 1.150 396 P CA 1.285 64.386 63.100 0.003 0.000 0.800 396 P CB 0.017 31.701 31.700 -0.026 0.000 0.787 397 I N -5.983 114.579 120.570 -0.014 0.000 3.854 397 I HA 0.209 4.379 4.170 -0.000 0.000 0.312 397 I C 0.664 176.798 176.117 0.028 0.000 1.273 397 I CA -0.189 61.090 61.300 -0.034 0.000 1.298 397 I CB -0.298 37.642 38.000 -0.100 0.000 1.071 397 I HN -0.236 nan 8.210 nan 0.000 0.428 398 F N 2.100 121.968 119.950 -0.138 0.000 2.452 398 F HA 0.528 5.055 4.527 -0.000 0.000 0.353 398 F C 0.494 176.227 175.800 -0.111 0.000 1.089 398 F CA -2.259 55.649 58.000 -0.153 0.000 1.080 398 F CB -0.579 38.334 39.000 -0.145 0.000 1.399 398 F HN 0.109 nan 8.300 nan 0.000 0.492 399 D N 0.441 120.647 120.400 -0.324 0.000 2.701 399 D HA 0.031 4.671 4.640 -0.000 0.000 0.235 399 D C 0.228 176.331 176.300 -0.328 0.000 1.155 399 D CA 1.949 55.714 54.000 -0.392 0.000 0.649 399 D CB -1.443 39.067 40.800 -0.483 0.000 1.050 399 D HN 1.587 nan 8.370 nan 0.000 0.425 400 G N -0.928 107.661 108.800 -0.352 0.000 3.129 400 G HA2 0.256 4.216 3.960 -0.000 0.000 0.385 400 G HA3 0.256 4.216 3.960 -0.000 0.000 0.385 400 G C 0.573 175.403 174.900 -0.117 0.000 1.046 400 G CA -0.044 44.888 45.100 -0.280 0.000 0.933 400 G HN 0.893 nan 8.290 nan 0.000 0.424 401 G N 0.990 109.738 108.800 -0.088 0.000 2.474 401 G HA2 0.264 4.224 3.960 -0.000 0.000 0.233 401 G HA3 0.264 4.224 3.960 -0.000 0.000 0.233 401 G C 1.070 175.936 174.900 -0.057 0.000 1.278 401 G CA 0.332 45.398 45.100 -0.056 0.000 0.861 401 G HN 0.834 nan 8.290 nan 0.000 0.567 402 N N 0.355 119.033 118.700 -0.037 0.000 2.188 402 N HA -0.136 4.604 4.740 -0.000 0.000 0.184 402 N C 2.221 177.698 175.510 -0.055 0.000 1.018 402 N CA 0.705 53.734 53.050 -0.036 0.000 0.858 402 N CB 0.045 38.520 38.487 -0.019 0.000 0.989 402 N HN 0.297 nan 8.380 nan 0.000 0.426 403 V N 0.096 119.977 119.914 -0.056 0.000 2.407 403 V HA -0.025 4.095 4.120 -0.000 0.000 0.245 403 V C 2.130 178.179 176.094 -0.076 0.000 1.041 403 V CA 1.798 64.063 62.300 -0.059 0.000 1.040 403 V CB -0.395 31.398 31.823 -0.050 0.000 0.671 403 V HN 0.402 nan 8.190 nan 0.000 0.455 404 G N -1.883 106.867 108.800 -0.083 0.000 2.986 404 G HA2 0.274 4.233 3.960 -0.000 0.000 0.213 404 G HA3 0.274 4.233 3.960 -0.000 0.000 0.213 404 G C 1.118 175.934 174.900 -0.140 0.000 1.156 404 G CA 0.254 45.297 45.100 -0.096 0.000 0.763 404 G HN 0.455 nan 8.290 nan 0.000 0.547 405 I N -1.739 118.732 120.570 -0.166 0.000 3.557 405 I HA 0.162 4.332 4.170 -0.000 0.000 0.259 405 I C 2.235 178.159 176.117 -0.322 0.000 1.108 405 I CA -0.508 60.630 61.300 -0.270 0.000 1.536 405 I CB 0.088 37.985 38.000 -0.171 0.000 1.727 405 I HN -0.248 nan 8.210 nan 0.000 0.408 406 R N 1.850 122.258 120.500 -0.152 0.000 2.112 406 R HA -0.142 4.197 4.340 -0.000 0.000 0.242 406 R C 2.105 178.359 176.300 -0.077 0.000 1.137 406 R CA 1.672 57.731 56.100 -0.067 0.000 0.944 406 R CB -1.006 29.279 30.300 -0.024 0.000 0.857 406 R HN 0.373 nan 8.270 nan 0.000 0.435 407 R N 0.188 120.634 120.500 -0.090 0.000 2.148 407 R HA 0.020 4.360 4.340 -0.000 0.000 0.227 407 R C 2.173 178.407 176.300 -0.110 0.000 1.103 407 R CA 0.635 56.688 56.100 -0.079 0.000 0.983 407 R CB -0.098 30.164 30.300 -0.064 0.000 0.874 407 R HN 0.079 nan 8.270 nan 0.000 0.451 408 R N 0.059 120.450 120.500 -0.182 0.000 2.115 408 R HA -0.070 4.270 4.340 -0.000 0.000 0.230 408 R C 1.873 178.070 176.300 -0.172 0.000 1.111 408 R CA 1.259 57.235 56.100 -0.206 0.000 0.976 408 R CB -0.713 29.416 30.300 -0.285 0.000 0.870 408 R HN 0.400 nan 8.270 nan 0.000 0.445 409 H N 0.680 119.669 119.070 -0.136 0.000 2.395 409 H HA 0.069 4.625 4.556 -0.000 0.000 0.299 409 H C 2.209 177.464 175.328 -0.122 0.000 1.070 409 H CA 0.829 56.785 56.048 -0.153 0.000 1.356 409 H CB -0.225 29.423 29.762 -0.190 0.000 1.401 409 H HN 0.077 nan 8.280 nan 0.000 0.524 410 L N 0.479 121.708 121.223 0.010 0.000 2.083 410 L HA -0.219 4.121 4.340 -0.000 0.000 0.209 410 L C 2.746 179.559 176.870 -0.095 0.000 1.083 410 L CA 1.251 56.067 54.840 -0.040 0.000 0.752 410 L CB -0.376 41.658 42.059 -0.041 0.000 0.899 410 L HN 0.274 nan 8.230 nan 0.000 0.433 411 Q N -0.433 119.313 119.800 -0.089 0.000 2.030 411 Q HA -0.255 4.085 4.340 -0.000 0.000 0.204 411 Q C 2.335 178.268 176.000 -0.112 0.000 0.986 411 Q CA 1.586 57.324 55.803 -0.109 0.000 0.843 411 Q CB 0.076 28.760 28.738 -0.090 0.000 0.904 411 Q HN 0.415 nan 8.270 nan 0.000 0.420 412 Q N 0.252 120.012 119.800 -0.067 0.000 2.124 412 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 412 Q C 2.272 178.229 176.000 -0.070 0.000 0.977 412 Q CA 1.106 56.878 55.803 -0.051 0.000 0.850 412 Q CB -0.340 28.395 28.738 -0.005 0.000 0.901 412 Q HN 0.460 nan 8.270 nan 0.000 0.429 413 L N -0.167 121.012 121.223 -0.074 0.000 2.012 413 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 413 L C 2.534 179.293 176.870 -0.186 0.000 1.073 413 L CA 1.238 56.044 54.840 -0.057 0.000 0.748 413 L CB -0.442 41.610 42.059 -0.012 0.000 0.891 413 L HN 0.238 nan 8.230 nan 0.000 0.431 414 M N -0.919 118.400 119.600 -0.468 0.000 2.229 414 M HA -0.202 4.278 4.480 -0.000 0.000 0.264 414 M C 2.256 178.283 176.300 -0.455 0.000 1.063 414 M CA 1.499 56.235 55.300 -0.939 0.000 1.114 414 M CB -0.260 31.881 32.600 -0.765 0.000 1.387 414 M HN 0.269 nan 8.290 nan 0.000 0.420 415 L N -0.028 121.054 121.223 -0.235 0.000 2.141 415 L HA -0.114 4.226 4.340 -0.000 0.000 0.209 415 L C 0.893 177.727 176.870 -0.061 0.000 1.094 415 L CA 0.750 55.516 54.840 -0.122 0.000 0.763 415 L CB -0.335 41.673 42.059 -0.085 0.000 0.908 415 L HN 0.198 nan 8.230 nan 0.000 0.437 416 K N 0.354 120.734 120.400 -0.033 0.000 2.489 416 K HA -0.055 4.265 4.320 -0.000 0.000 0.278 416 K C -1.489 175.144 176.600 0.054 0.000 1.000 416 K CA -1.009 55.291 56.287 0.023 0.000 1.012 416 K CB 0.498 33.029 32.500 0.051 0.000 0.903 416 K HN -0.142 nan 8.250 nan 0.000 0.485 417 P HA -0.164 nan 4.420 nan 0.000 0.218 417 P C 0.871 178.206 177.300 0.058 0.000 1.148 417 P CA 1.263 64.388 63.100 0.043 0.000 0.822 417 P CB 0.099 31.815 31.700 0.027 0.000 0.784 418 T N -5.684 108.905 114.554 0.058 0.000 3.148 418 T HA -0.069 4.281 4.350 -0.000 0.000 0.253 418 T C 0.508 175.240 174.700 0.052 0.000 1.134 418 T CA -0.295 61.832 62.100 0.044 0.000 1.051 418 T CB -1.215 67.672 68.868 0.031 0.000 0.959 418 T HN -0.015 nan 8.240 nan 0.000 0.525 419 Y N 2.873 123.149 120.300 -0.039 0.000 2.721 419 Y HA 0.279 4.829 4.550 -0.000 0.000 0.329 419 Y C -0.228 175.631 175.900 -0.069 0.000 1.211 419 Y CA -0.622 57.440 58.100 -0.064 0.000 1.512 419 Y CB 0.278 38.693 38.460 -0.076 0.000 1.249 419 Y HN 0.061 nan 8.280 nan 0.000 0.549 420 D N 5.602 125.613 120.400 -0.649 0.000 2.378 420 D HA 0.343 4.983 4.640 -0.000 0.000 0.265 420 D C 0.657 176.525 176.300 -0.720 0.000 1.229 420 D CA 0.326 54.042 54.000 -0.474 0.000 0.914 420 D CB 0.836 41.504 40.800 -0.221 0.000 1.140 420 D HN 0.767 nan 8.370 nan 0.000 0.516 421 A N 2.569 124.861 122.820 -0.881 0.000 1.894 421 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 421 A C 1.312 178.324 177.584 -0.954 0.000 1.237 421 A CA 1.535 52.901 52.037 -1.117 0.000 0.660 421 A CB -0.688 17.644 19.000 -1.114 0.000 0.835 421 A HN 0.693 nan 8.150 nan 0.000 0.461 422 W N 0.066 121.301 121.300 -0.110 0.000 3.223 422 W HA 0.281 4.941 4.660 0.000 0.000 0.389 422 W C 2.071 178.571 176.519 -0.031 0.000 1.118 422 W CA 0.192 57.523 57.345 -0.023 0.000 1.902 422 W CB -0.143 29.386 29.460 0.114 0.000 1.094 422 W HN 0.454 nan 8.180 nan 0.000 0.666 423 S N -0.088 115.621 115.700 0.014 0.000 2.419 423 S HA -0.217 4.253 4.470 -0.000 0.000 0.233 423 S C 1.866 176.464 174.600 -0.003 0.000 1.016 423 S CA 1.497 59.703 58.200 0.010 0.000 0.974 423 S CB -0.861 62.300 63.200 -0.064 0.000 0.786 423 S HN 0.217 nan 8.310 nan 0.000 0.492 424 S N 0.079 115.759 115.700 -0.034 0.000 2.603 424 S HA 0.076 4.546 4.470 -0.000 0.000 0.229 424 S C 1.271 175.849 174.600 -0.038 0.000 0.972 424 S CA 0.777 58.955 58.200 -0.036 0.000 0.935 424 S CB -0.477 62.691 63.200 -0.054 0.000 0.769 424 S HN 0.579 nan 8.310 nan 0.000 0.536 425 T N -0.334 114.189 114.554 -0.052 0.000 3.174 425 T HA 0.251 4.601 4.350 -0.000 0.000 0.252 425 T C 0.205 174.706 174.700 -0.332 0.000 0.984 425 T CA 0.089 62.044 62.100 -0.242 0.000 1.113 425 T CB -0.161 68.471 68.868 -0.393 0.000 1.088 425 T HN 0.402 nan 8.240 nan 0.000 0.442 426 Y N 2.060 122.404 120.300 0.074 0.000 2.571 426 Y HA 0.515 5.065 4.550 -0.000 0.000 0.275 426 Y C 1.453 177.373 175.900 0.032 0.000 1.179 426 Y CA -0.399 57.727 58.100 0.044 0.000 1.242 426 Y CB -0.274 38.210 38.460 0.040 0.000 1.126 426 Y HN 0.423 nan 8.280 nan 0.000 0.524 427 G N 0.000 108.867 108.800 0.111 0.000 5.446 427 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 427 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 427 G CA 0.000 45.143 45.100 0.071 0.000 0.502 427 G HN 0.000 nan 8.290 nan 0.000 0.925