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 6cel_1_A DATA FIRST_RESID 2 DATA SEQUENCE SAcTLQSETH PPLTWQKcSS GGTcTQQTGS VVIDANWRWT HATNSSTNcY DATA SEQUENCE DGNTWSSTLc PDNETcAKNc cLDGAAYAST YGVTTSGNSL SIDFVTQSAQ DATA SEQUENCE KNVGARLYLM ASDTTYQEFT LLGNEFSFDV DVSQLPcGLN GALYFVSMDA DATA SEQUENCE DGGVSKYPTN TAGAKYGTGY cDSQcPRDLK FINGQANVEG WEPSSNNANT DATA SEQUENCE GIGGHGSccS QMDIWEANSI SEALTPHPcT TVGQEIcEGD GcGGTYSDNR DATA SEQUENCE YGGTcDPDGc DWNPYRLGNT SFYGPGSSFT LDTTKKLTVV TQFETSGAIN DATA SEQUENCE RYYVQNGVTF QQPNAELGSY SGNELNDDYc TAEEAEFGGS SFSDKGGLTQ DATA SEQUENCE FKKATSGGMV LVMSLWDDYY ANMLWLDSTY PTNETSSTPG AVRGScSTSS DATA SEQUENCE GVPAQVESQS PNAKVTFSNI KFGPIGSTGN PSG 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.370 174.600 -0.383 0.000 1.055 2 S CA 0.000 58.034 58.200 -0.276 0.000 1.107 2 S CB 0.000 63.073 63.200 -0.212 0.000 0.593 3 A N -0.202 122.383 122.820 -0.391 0.000 2.337 3 A HA 0.833 5.153 4.320 0.000 0.000 0.329 3 A C -0.285 177.049 177.584 -0.417 0.000 1.146 3 A CA -0.674 50.989 52.037 -0.622 0.000 0.800 3 A CB 0.779 19.294 19.000 -0.808 0.000 1.220 3 A HN 1.116 nan 8.150 nan 0.000 0.472 4 c N 0.369 118.720 118.600 -0.416 0.000 2.595 4 c HA 0.800 5.370 4.570 0.000 0.000 0.338 4 c C 1.126 175.181 174.090 -0.059 0.000 1.219 4 c CA 0.211 56.419 56.329 -0.203 0.000 1.811 4 c CB 1.893 44.266 42.510 -0.229 0.000 2.313 4 c HN 0.930 nan 8.230 nan 0.000 0.499 5 T N -0.688 113.885 114.554 0.031 0.000 3.448 5 T HA 0.257 4.607 4.350 0.000 0.000 0.271 5 T C 0.787 175.556 174.700 0.115 0.000 1.002 5 T CA -0.169 61.988 62.100 0.095 0.000 0.995 5 T CB -0.429 68.488 68.868 0.081 0.000 1.153 5 T HN 0.532 nan 8.240 nan 0.000 0.510 6 L N -0.230 121.078 121.223 0.142 0.000 2.156 6 L HA 0.135 4.475 4.340 0.000 0.000 0.208 6 L C 1.174 178.157 176.870 0.189 0.000 1.095 6 L CA 0.920 55.854 54.840 0.157 0.000 0.770 6 L CB -0.136 42.030 42.059 0.178 0.000 0.914 6 L HN 0.406 nan 8.230 nan 0.000 0.439 7 Q N 0.563 120.498 119.800 0.225 0.000 2.321 7 Q HA 0.266 4.606 4.340 0.000 0.000 0.270 7 Q C -0.403 175.713 176.000 0.193 0.000 1.032 7 Q CA -0.690 55.239 55.803 0.211 0.000 0.784 7 Q CB 1.756 30.653 28.738 0.265 0.000 1.264 7 Q HN 0.187 nan 8.270 nan 0.000 0.448 8 S N 2.472 118.260 115.700 0.146 0.000 2.572 8 S HA 0.295 4.765 4.470 0.000 0.000 0.279 8 S C -0.043 174.630 174.600 0.123 0.000 1.341 8 S CA -0.588 57.684 58.200 0.120 0.000 1.043 8 S CB 0.888 64.136 63.200 0.081 0.000 0.887 8 S HN 0.677 nan 8.310 nan 0.000 0.516 9 E N 1.222 121.461 120.200 0.065 0.000 2.063 9 E HA 0.381 4.731 4.350 0.000 0.000 0.265 9 E C -1.259 175.222 176.600 -0.198 0.000 0.919 9 E CA -0.326 56.053 56.400 -0.036 0.000 0.756 9 E CB 0.746 30.328 29.700 -0.197 0.000 1.120 9 E HN 0.638 nan 8.360 nan 0.000 0.414 10 T N 4.846 119.338 114.554 -0.102 0.000 2.864 10 T HA 0.261 4.611 4.350 0.000 0.000 0.310 10 T C -0.814 173.728 174.700 -0.264 0.000 1.040 10 T CA -0.609 61.383 62.100 -0.180 0.000 0.977 10 T CB 0.063 68.903 68.868 -0.046 0.000 0.976 10 T HN 0.460 nan 8.240 nan 0.000 0.459 11 H N 3.278 122.233 119.070 -0.191 0.000 2.899 11 H HA 0.227 4.784 4.556 0.000 0.000 0.303 11 H C -2.256 172.862 175.328 -0.350 0.000 1.042 11 H CA -1.740 54.079 56.048 -0.383 0.000 1.479 11 H CB 0.204 29.840 29.762 -0.209 0.000 1.493 11 H HN 0.265 nan 8.280 nan 0.000 0.534 12 P HA -0.000 nan 4.420 nan 0.000 0.263 12 P C -2.443 174.806 177.300 -0.085 0.000 1.195 12 P CA -0.955 62.023 63.100 -0.203 0.000 0.762 12 P CB 0.421 31.985 31.700 -0.227 0.000 0.799 13 P HA 0.238 nan 4.420 nan 0.000 0.272 13 P C -1.027 176.295 177.300 0.037 0.000 1.223 13 P CA 0.046 63.155 63.100 0.015 0.000 0.784 13 P CB 0.470 32.182 31.700 0.021 0.000 0.923 14 L N 1.946 123.216 121.223 0.078 0.000 2.562 14 L HA 0.444 4.784 4.340 0.000 0.000 0.266 14 L C -0.540 176.448 176.870 0.197 0.000 0.949 14 L CA -0.103 54.808 54.840 0.118 0.000 0.879 14 L CB 1.507 43.630 42.059 0.107 0.000 1.278 14 L HN 0.461 nan 8.230 nan 0.000 0.404 15 T N 1.237 115.896 114.554 0.175 0.000 2.934 15 T HA 0.809 5.159 4.350 0.000 0.000 0.283 15 T C -0.633 174.253 174.700 0.310 0.000 1.005 15 T CA -0.518 61.687 62.100 0.175 0.000 1.041 15 T CB 1.308 70.214 68.868 0.063 0.000 1.042 15 T HN 0.720 nan 8.240 nan 0.000 0.505 16 W N -0.241 121.107 121.300 0.079 0.000 3.075 16 W HA 0.509 5.169 4.660 0.000 0.000 0.334 16 W C -1.452 175.127 176.519 0.100 0.000 1.243 16 W CA -1.108 56.297 57.345 0.099 0.000 1.170 16 W CB 0.983 30.536 29.460 0.154 0.000 1.452 16 W HN 0.470 nan 8.180 nan 0.000 0.572 17 Q N 2.028 122.002 119.800 0.290 0.000 2.293 17 Q HA 0.279 4.619 4.340 0.000 0.000 0.261 17 Q C -0.881 175.255 176.000 0.227 0.000 0.960 17 Q CA -0.792 55.072 55.803 0.101 0.000 0.882 17 Q CB 2.875 31.674 28.738 0.100 0.000 1.275 17 Q HN 0.377 nan 8.270 nan 0.000 0.445 18 K N 1.943 122.348 120.400 0.009 0.000 2.316 18 K HA 0.350 4.670 4.320 0.000 0.000 0.267 18 K C -1.268 175.387 176.600 0.093 0.000 1.025 18 K CA -0.199 56.183 56.287 0.159 0.000 0.896 18 K CB 0.378 32.866 32.500 -0.020 0.000 1.124 18 K HN 0.587 nan 8.250 nan 0.000 0.451 19 c N 2.778 121.445 118.600 0.111 0.000 2.358 19 c HA 0.773 5.343 4.570 0.000 0.000 0.354 19 c C -0.020 174.078 174.090 0.014 0.000 1.183 19 c CA -0.696 55.658 56.329 0.042 0.000 2.150 19 c CB 0.975 43.505 42.510 0.032 0.000 2.361 19 c HN 0.957 nan 8.230 nan 0.000 0.535 20 S N 0.216 115.919 115.700 0.005 0.000 2.607 20 S HA 0.428 4.898 4.470 0.000 0.000 0.303 20 S C 0.660 175.257 174.600 -0.005 0.000 1.086 20 S CA 0.055 58.255 58.200 -0.001 0.000 0.995 20 S CB 1.449 64.651 63.200 0.004 0.000 1.084 20 S HN 0.947 nan 8.310 nan 0.000 0.507 21 S N 0.699 116.395 115.700 -0.006 0.000 2.469 21 S HA 0.011 4.481 4.470 0.000 0.000 0.238 21 S C 1.724 176.323 174.600 -0.002 0.000 0.998 21 S CA 0.816 59.013 58.200 -0.005 0.000 0.957 21 S CB -1.184 62.014 63.200 -0.003 0.000 0.764 21 S HN 1.141 nan 8.310 nan 0.000 0.514 22 G N 0.650 109.450 108.800 -0.001 0.000 2.679 22 G HA2 0.382 4.342 3.960 0.000 0.000 0.212 22 G HA3 0.382 4.342 3.960 0.000 0.000 0.212 22 G C 1.068 175.968 174.900 -0.000 0.000 1.137 22 G CA 0.124 45.223 45.100 -0.000 0.000 0.787 22 G HN 1.404 nan 8.290 nan 0.000 0.534 23 G N -1.069 107.731 108.800 0.000 0.000 2.163 23 G HA2 -0.111 3.849 3.960 0.000 0.000 0.213 23 G HA3 -0.111 3.849 3.960 0.000 0.000 0.213 23 G C 0.352 175.254 174.900 0.002 0.000 0.991 23 G CA 0.744 45.845 45.100 0.001 0.000 0.653 23 G HN 1.382 nan 8.290 nan 0.000 0.518 24 T N -2.267 112.288 114.554 0.002 0.000 2.924 24 T HA 0.703 5.053 4.350 0.000 0.000 0.291 24 T C -0.160 174.541 174.700 0.002 0.000 1.045 24 T CA -0.305 61.795 62.100 0.001 0.000 1.015 24 T CB 2.758 71.624 68.868 -0.003 0.000 1.103 24 T HN 0.712 nan 8.240 nan 0.000 0.496 25 c N 1.501 120.102 118.600 0.001 0.000 2.507 25 c HA 0.850 5.420 4.570 0.000 0.000 0.319 25 c C 0.187 174.266 174.090 -0.017 0.000 1.208 25 c CA -0.549 55.782 56.329 0.002 0.000 1.619 25 c CB 1.515 44.035 42.510 0.016 0.000 2.230 25 c HN 1.056 nan 8.230 nan 0.000 0.492 26 T N 1.942 116.472 114.554 -0.039 0.000 2.824 26 T HA 0.329 4.679 4.350 0.000 0.000 0.282 26 T C -0.578 174.044 174.700 -0.131 0.000 0.993 26 T CA -0.252 61.805 62.100 -0.072 0.000 0.967 26 T CB 1.399 70.223 68.868 -0.074 0.000 0.960 26 T HN 0.765 nan 8.240 nan 0.000 0.441 27 Q N 2.522 122.245 119.800 -0.127 0.000 2.332 27 Q HA 0.168 4.508 4.340 0.000 0.000 0.263 27 Q C -0.647 175.180 176.000 -0.289 0.000 0.979 27 Q CA -0.201 55.496 55.803 -0.178 0.000 0.885 27 Q CB 0.499 29.176 28.738 -0.103 0.000 1.218 27 Q HN 0.429 nan 8.270 nan 0.000 0.405 28 Q N 2.155 121.655 119.800 -0.501 0.000 2.345 28 Q HA 0.432 4.772 4.340 0.000 0.000 0.268 28 Q C -1.115 174.645 176.000 -0.400 0.000 1.054 28 Q CA -0.498 54.920 55.803 -0.643 0.000 0.835 28 Q CB 2.334 30.169 28.738 -1.505 0.000 1.339 28 Q HN 0.594 nan 8.270 nan 0.000 0.447 29 T N 1.091 115.536 114.554 -0.182 0.000 2.791 29 T HA 0.697 5.047 4.350 0.000 0.000 0.288 29 T C -0.118 174.637 174.700 0.092 0.000 0.999 29 T CA -0.486 61.602 62.100 -0.019 0.000 0.952 29 T CB 1.290 70.150 68.868 -0.014 0.000 0.938 29 T HN 0.691 nan 8.240 nan 0.000 0.444 30 G N 1.671 110.594 108.800 0.204 0.000 3.262 30 G HA2 0.865 4.825 3.960 0.000 0.000 0.229 30 G HA3 0.865 4.825 3.960 0.000 0.000 0.229 30 G C -0.800 174.179 174.900 0.132 0.000 1.280 30 G CA -0.578 44.656 45.100 0.223 0.000 0.951 30 G HN 0.961 nan 8.290 nan 0.000 0.589 31 S N -2.386 113.366 115.700 0.087 0.000 2.636 31 S HA 0.681 5.152 4.470 0.000 0.000 0.268 31 S C -1.045 173.532 174.600 -0.038 0.000 1.159 31 S CA -0.093 58.120 58.200 0.022 0.000 0.815 31 S CB 1.167 64.383 63.200 0.026 0.000 1.130 31 S HN 1.886 nan 8.310 nan 0.000 0.471 32 V N -1.284 118.573 119.914 -0.095 0.000 2.715 32 V HA 0.995 5.115 4.120 0.000 0.000 0.310 32 V C -0.490 175.502 176.094 -0.170 0.000 1.054 32 V CA -0.772 61.453 62.300 -0.125 0.000 0.928 32 V CB 1.241 32.998 31.823 -0.110 0.000 1.007 32 V HN 1.251 nan 8.190 nan 0.000 0.437 33 V N 5.016 124.865 119.914 -0.109 0.000 2.709 33 V HA 0.599 4.720 4.120 0.000 0.000 0.308 33 V C -0.413 175.675 176.094 -0.010 0.000 1.062 33 V CA -0.726 61.588 62.300 0.024 0.000 0.901 33 V CB 1.771 33.527 31.823 -0.112 0.000 1.003 33 V HN 1.034 nan 8.190 nan 0.000 0.425 34 I N 5.101 125.706 120.570 0.059 0.000 2.519 34 I HA 0.283 4.453 4.170 0.000 0.000 0.287 34 I C 0.608 176.591 176.117 -0.224 0.000 1.047 34 I CA -0.122 60.987 61.300 -0.318 0.000 1.381 34 I CB 0.840 38.483 38.000 -0.595 0.000 1.417 34 I HN 0.791 nan 8.210 nan 0.000 0.540 35 D N 5.367 125.540 120.400 -0.379 0.000 2.472 35 D HA -0.049 4.591 4.640 0.000 0.000 0.237 35 D C 0.905 177.341 176.300 0.226 0.000 1.141 35 D CA 0.491 54.506 54.000 0.026 0.000 0.875 35 D CB 1.525 42.309 40.800 -0.027 0.000 1.192 35 D HN 0.742 nan 8.370 nan 0.000 0.450 36 A N 4.451 127.449 122.820 0.297 0.000 1.986 36 A HA -0.263 4.057 4.320 0.000 0.000 0.220 36 A C 1.901 179.652 177.584 0.278 0.000 1.171 36 A CA 1.511 53.720 52.037 0.287 0.000 0.640 36 A CB -0.425 18.750 19.000 0.290 0.000 0.811 36 A HN 0.704 nan 8.150 nan 0.000 0.451 37 N N -1.038 117.839 118.700 0.295 0.000 2.289 37 N HA -0.137 4.603 4.740 0.000 0.000 0.184 37 N C 1.326 176.881 175.510 0.074 0.000 1.016 37 N CA 1.079 54.198 53.050 0.115 0.000 0.872 37 N CB -0.228 38.255 38.487 -0.006 0.000 0.973 37 N HN 0.744 nan 8.380 nan 0.000 0.433 38 W N 1.200 122.493 121.300 -0.012 0.000 2.678 38 W HA 0.087 4.747 4.660 0.000 0.000 0.256 38 W C 0.416 177.007 176.519 0.119 0.000 1.280 38 W CA -0.159 57.197 57.345 0.018 0.000 1.345 38 W CB 0.125 29.467 29.460 -0.196 0.000 1.118 38 W HN 0.015 nan 8.180 nan 0.000 0.629 39 R N -0.377 120.310 120.500 0.312 0.000 2.583 39 R HA 0.055 4.395 4.340 0.000 0.000 0.268 39 R C -0.391 176.135 176.300 0.377 0.000 1.101 39 R CA -0.739 55.563 56.100 0.336 0.000 1.180 39 R CB 0.357 30.826 30.300 0.282 0.000 1.128 39 R HN -0.234 nan 8.270 nan 0.000 0.568 40 W N 1.845 123.267 121.300 0.202 0.000 2.345 40 W HA 0.150 4.811 4.660 0.000 0.000 0.308 40 W C -0.963 175.669 176.519 0.188 0.000 1.273 40 W CA -0.320 57.138 57.345 0.189 0.000 1.243 40 W CB 0.680 30.264 29.460 0.206 0.000 1.260 40 W HN 0.309 nan 8.180 nan 0.000 0.509 41 T N 7.645 122.355 114.554 0.261 0.000 2.756 41 T HA 0.337 4.687 4.350 0.000 0.000 0.290 41 T C -0.693 173.979 174.700 -0.047 0.000 0.985 41 T CA -0.103 62.024 62.100 0.045 0.000 0.955 41 T CB 0.440 69.427 68.868 0.200 0.000 0.930 41 T HN 0.488 nan 8.240 nan 0.000 0.451 42 H N 0.732 119.584 119.070 -0.362 0.000 2.941 42 H HA 0.821 5.377 4.556 0.000 0.000 0.344 42 H C -0.309 174.902 175.328 -0.195 0.000 1.235 42 H CA -1.289 54.562 56.048 -0.329 0.000 1.149 42 H CB 0.592 29.900 29.762 -0.756 0.000 1.885 42 H HN 0.602 nan 8.280 nan 0.000 0.558 43 A N 0.518 123.374 122.820 0.059 0.000 2.498 43 A HA 0.184 4.504 4.320 0.000 0.000 0.239 43 A C 1.586 179.165 177.584 -0.008 0.000 1.068 43 A CA 0.190 52.241 52.037 0.022 0.000 0.766 43 A CB -0.443 18.596 19.000 0.065 0.000 1.003 43 A HN 0.997 nan 8.150 nan 0.000 0.497 44 T N -0.073 114.432 114.554 -0.081 0.000 2.803 44 T HA -0.198 4.152 4.350 0.000 0.000 0.269 44 T C 0.939 175.629 174.700 -0.016 0.000 1.052 44 T CA 1.612 63.654 62.100 -0.096 0.000 1.136 44 T CB -0.476 68.334 68.868 -0.096 0.000 0.864 44 T HN 0.811 nan 8.240 nan 0.000 0.467 45 N N 1.528 120.233 118.700 0.009 0.000 2.270 45 N HA 0.175 4.915 4.740 0.000 0.000 0.198 45 N C 0.325 175.855 175.510 0.033 0.000 1.117 45 N CA 0.193 53.253 53.050 0.018 0.000 0.845 45 N CB 0.314 38.806 38.487 0.008 0.000 0.980 45 N HN 0.707 nan 8.380 nan 0.000 0.486 46 S N -2.283 113.451 115.700 0.057 0.000 2.757 46 S HA 0.436 4.906 4.470 0.000 0.000 0.285 46 S C -0.370 174.232 174.600 0.003 0.000 1.196 46 S CA -0.663 57.562 58.200 0.041 0.000 0.856 46 S CB 0.611 63.840 63.200 0.047 0.000 1.212 46 S HN -0.120 nan 8.310 nan 0.000 0.516 47 S N 0.676 116.381 115.700 0.007 0.000 2.572 47 S HA 0.293 4.763 4.470 0.000 0.000 0.228 47 S C -0.018 174.719 174.600 0.228 0.000 0.963 47 S CA -0.212 58.005 58.200 0.028 0.000 0.939 47 S CB -0.115 63.205 63.200 0.199 0.000 0.804 47 S HN 0.722 nan 8.310 nan 0.000 0.480 48 T N 4.216 118.864 114.554 0.157 0.000 2.799 48 T HA 0.159 4.509 4.350 0.000 0.000 0.296 48 T C 0.287 175.127 174.700 0.234 0.000 0.947 48 T CA -0.283 61.923 62.100 0.177 0.000 1.141 48 T CB 0.030 68.964 68.868 0.110 0.000 0.891 48 T HN 0.218 nan 8.240 nan 0.000 0.533 49 N N 1.541 120.422 118.700 0.301 0.000 2.454 49 N HA 0.055 4.795 4.740 0.000 0.000 0.254 49 N C 0.782 176.412 175.510 0.199 0.000 1.228 49 N CA -0.217 53.028 53.050 0.326 0.000 0.900 49 N CB 0.367 39.032 38.487 0.297 0.000 1.089 49 N HN 0.618 nan 8.380 nan 0.000 0.449 50 c N 0.721 119.444 118.600 0.205 0.000 2.551 50 c HA 0.178 4.748 4.570 0.000 0.000 0.277 50 c C 0.193 174.422 174.090 0.233 0.000 1.349 50 c CA -0.020 56.450 56.329 0.235 0.000 1.750 50 c CB -1.086 41.603 42.510 0.300 0.000 2.058 50 c HN 0.706 nan 8.230 nan 0.000 0.518 51 Y N 0.652 120.905 120.300 -0.078 0.000 2.457 51 Y HA 0.604 5.154 4.550 0.000 0.000 0.343 51 Y C -1.407 174.384 175.900 -0.182 0.000 0.994 51 Y CA -0.638 57.234 58.100 -0.379 0.000 1.031 51 Y CB 1.022 38.968 38.460 -0.858 0.000 1.246 51 Y HN 0.055 nan 8.280 nan 0.000 0.449 52 D N 3.161 123.158 120.400 -0.672 0.000 2.927 52 D HA 0.506 5.146 4.640 0.000 0.000 0.219 52 D C 0.369 176.343 176.300 -0.544 0.000 1.248 52 D CA 0.982 54.752 54.000 -0.384 0.000 0.861 52 D CB 1.903 42.600 40.800 -0.172 0.000 1.677 52 D HN 0.990 nan 8.370 nan 0.000 0.511 53 G N 3.769 112.371 108.800 -0.330 0.000 2.602 53 G HA2 -0.327 3.633 3.960 0.000 0.000 0.310 53 G HA3 -0.327 3.633 3.960 0.000 0.000 0.310 53 G C 0.518 175.219 174.900 -0.331 0.000 1.183 53 G CA 0.814 45.763 45.100 -0.252 0.000 0.979 53 G HN 0.901 nan 8.290 nan 0.000 0.545 54 N N 0.733 119.264 118.700 -0.283 0.000 2.238 54 N HA 0.361 5.101 4.740 0.000 0.000 0.235 54 N C 0.333 175.794 175.510 -0.081 0.000 1.209 54 N CA 1.234 54.238 53.050 -0.077 0.000 0.879 54 N CB 0.589 39.118 38.487 0.070 0.000 1.136 54 N HN 1.207 nan 8.380 nan 0.000 0.517 55 T N -2.357 111.883 114.554 -0.524 0.000 2.906 55 T HA 0.589 4.939 4.350 0.000 0.000 0.295 55 T C -1.474 172.869 174.700 -0.595 0.000 1.061 55 T CA -0.639 61.257 62.100 -0.340 0.000 1.000 55 T CB 1.128 69.945 68.868 -0.085 0.000 1.103 55 T HN 0.158 nan 8.240 nan 0.000 0.486 56 W N 1.601 122.706 121.300 -0.326 0.000 2.375 56 W HA 0.554 5.214 4.660 0.000 0.000 0.336 56 W C 0.938 177.373 176.519 -0.140 0.000 1.160 56 W CA -0.563 56.648 57.345 -0.222 0.000 1.266 56 W CB 1.209 30.519 29.460 -0.249 0.000 1.195 56 W HN 0.726 nan 8.180 nan 0.000 0.599 57 S N 1.333 117.154 115.700 0.201 0.000 2.465 57 S HA 0.010 4.480 4.470 0.000 0.000 0.280 57 S C 1.298 175.954 174.600 0.093 0.000 1.232 57 S CA 0.091 58.357 58.200 0.110 0.000 1.066 57 S CB 0.406 63.672 63.200 0.111 0.000 0.929 57 S HN 0.529 nan 8.310 nan 0.000 0.494 58 S N 3.501 119.235 115.700 0.057 0.000 2.447 58 S HA -0.129 4.341 4.470 0.000 0.000 0.233 58 S C 1.797 176.407 174.600 0.016 0.000 1.006 58 S CA 1.313 59.532 58.200 0.031 0.000 0.957 58 S CB -0.966 62.249 63.200 0.026 0.000 0.773 58 S HN 0.926 nan 8.310 nan 0.000 0.507 59 T N 0.392 114.961 114.554 0.024 0.000 2.901 59 T HA 0.263 4.613 4.350 0.000 0.000 0.252 59 T C 1.808 176.519 174.700 0.018 0.000 1.035 59 T CA 0.364 62.474 62.100 0.017 0.000 1.142 59 T CB -0.690 68.190 68.868 0.021 0.000 0.869 59 T HN 0.327 nan 8.240 nan 0.000 0.442 60 L N 0.271 121.516 121.223 0.036 0.000 2.240 60 L HA 0.208 4.549 4.340 0.000 0.000 0.211 60 L C 0.861 177.745 176.870 0.022 0.000 1.106 60 L CA 0.354 55.219 54.840 0.041 0.000 0.793 60 L CB 0.000 42.104 42.059 0.076 0.000 0.927 60 L HN 0.384 nan 8.230 nan 0.000 0.446 61 c N 0.380 118.986 118.600 0.010 0.000 3.273 61 c HA 0.264 4.834 4.570 0.000 0.000 0.227 61 c C -0.970 173.048 174.090 -0.121 0.000 1.409 61 c CA -0.923 55.357 56.329 -0.083 0.000 1.516 61 c CB 0.035 42.470 42.510 -0.126 0.000 1.853 61 c HN 0.223 nan 8.230 nan 0.000 0.472 62 P HA -0.034 nan 4.420 nan 0.000 0.229 62 P C -0.106 177.130 177.300 -0.107 0.000 1.160 62 P CA 1.422 64.478 63.100 -0.075 0.000 0.777 62 P CB 0.353 32.026 31.700 -0.044 0.000 0.814 63 D N -3.668 116.647 120.400 -0.141 0.000 2.639 63 D HA 0.154 4.794 4.640 0.000 0.000 0.271 63 D C 0.600 176.777 176.300 -0.204 0.000 1.254 63 D CA -0.821 53.086 54.000 -0.156 0.000 0.810 63 D CB -0.151 40.593 40.800 -0.094 0.000 1.351 63 D HN -0.438 nan 8.370 nan 0.000 0.427 64 N N 0.223 118.800 118.700 -0.204 0.000 2.104 64 N HA -0.148 4.592 4.740 0.000 0.000 0.190 64 N C 1.056 176.502 175.510 -0.107 0.000 1.024 64 N CA 1.391 54.318 53.050 -0.206 0.000 0.853 64 N CB -0.173 38.227 38.487 -0.146 0.000 1.008 64 N HN 0.570 nan 8.380 nan 0.000 0.424 65 E N -0.196 119.967 120.200 -0.062 0.000 2.046 65 E HA -0.035 4.315 4.350 0.000 0.000 0.190 65 E C 1.751 178.335 176.600 -0.027 0.000 0.982 65 E CA 1.200 57.585 56.400 -0.025 0.000 0.800 65 E CB -0.153 29.540 29.700 -0.013 0.000 0.756 65 E HN 0.287 nan 8.360 nan 0.000 0.449 66 T N 0.962 115.491 114.554 -0.042 0.000 2.759 66 T HA -0.224 4.126 4.350 0.000 0.000 0.269 66 T C 2.063 176.745 174.700 -0.030 0.000 1.042 66 T CA 1.097 63.176 62.100 -0.035 0.000 1.140 66 T CB -0.543 68.300 68.868 -0.041 0.000 0.864 66 T HN 0.298 nan 8.240 nan 0.000 0.455 67 c N 1.627 120.191 118.600 -0.060 0.000 2.432 67 c HA 0.051 4.621 4.570 0.000 0.000 0.277 67 c C 3.150 177.289 174.090 0.083 0.000 1.249 67 c CA 0.816 57.121 56.329 -0.040 0.000 1.725 67 c CB -1.454 40.916 42.510 -0.234 0.000 2.028 67 c HN 0.610 nan 8.230 nan 0.000 0.477 68 A N 0.049 122.931 122.820 0.103 0.000 1.933 68 A HA -0.169 4.151 4.320 0.000 0.000 0.218 68 A C 2.097 179.679 177.584 -0.003 0.000 1.175 68 A CA 2.247 54.355 52.037 0.118 0.000 0.628 68 A CB -0.615 18.442 19.000 0.096 0.000 0.814 68 A HN 0.652 nan 8.150 nan 0.000 0.444 69 K N 0.507 120.903 120.400 -0.006 0.000 2.057 69 K HA -0.065 4.255 4.320 0.000 0.000 0.206 69 K C 1.356 177.936 176.600 -0.034 0.000 1.050 69 K CA 1.824 58.095 56.287 -0.026 0.000 0.935 69 K CB -0.258 32.230 32.500 -0.019 0.000 0.715 69 K HN 0.427 nan 8.250 nan 0.000 0.439 70 N N -0.642 118.049 118.700 -0.015 0.000 2.446 70 N HA 0.007 4.747 4.740 0.000 0.000 0.179 70 N C -0.290 175.203 175.510 -0.028 0.000 1.054 70 N CA 0.425 53.466 53.050 -0.014 0.000 0.905 70 N CB -0.068 38.423 38.487 0.008 0.000 0.973 70 N HN 0.139 nan 8.380 nan 0.000 0.448 71 c N 0.634 119.222 118.600 -0.020 0.000 2.454 71 c HA 0.749 5.319 4.570 0.000 0.000 0.336 71 c C 0.636 174.598 174.090 -0.213 0.000 1.189 71 c CA -1.417 54.880 56.329 -0.054 0.000 1.877 71 c CB 0.857 43.466 42.510 0.165 0.000 2.348 71 c HN 0.523 nan 8.230 nan 0.000 0.508 72 c N 1.040 119.427 118.600 -0.354 0.000 2.994 72 c HA 0.833 5.403 4.570 0.000 0.000 0.304 72 c C -0.939 172.844 174.090 -0.512 0.000 1.273 72 c CA -0.934 55.110 56.329 -0.474 0.000 1.537 72 c CB -0.274 41.929 42.510 -0.511 0.000 2.001 72 c HN 0.863 nan 8.230 nan 0.000 0.471 73 L N 2.220 123.172 121.223 -0.452 0.000 2.325 73 L HA 0.530 4.870 4.340 0.000 0.000 0.279 73 L C 0.186 176.866 176.870 -0.316 0.000 1.054 73 L CA 0.293 54.964 54.840 -0.281 0.000 0.804 73 L CB 0.889 42.850 42.059 -0.165 0.000 1.200 73 L HN 0.747 nan 8.230 nan 0.000 0.436 74 D N 0.546 120.921 120.400 -0.042 0.000 2.449 74 D HA 0.370 5.010 4.640 0.000 0.000 0.250 74 D C -0.088 176.436 176.300 0.374 0.000 1.050 74 D CA -0.281 53.792 54.000 0.121 0.000 1.024 74 D CB 2.282 43.218 40.800 0.226 0.000 1.218 74 D HN 0.570 nan 8.370 nan 0.000 0.566 75 G N -0.690 108.358 108.800 0.413 0.000 2.699 75 G HA2 0.448 4.408 3.960 0.000 0.000 0.246 75 G HA3 0.448 4.408 3.960 0.000 0.000 0.246 75 G C -0.769 174.308 174.900 0.294 0.000 1.219 75 G CA 0.037 45.357 45.100 0.366 0.000 0.866 75 G HN 0.432 nan 8.290 nan 0.000 0.572 76 A N -0.569 122.368 122.820 0.195 0.000 2.371 76 A HA 0.743 5.063 4.320 0.000 0.000 0.311 76 A C 0.158 177.824 177.584 0.137 0.000 1.068 76 A CA -0.087 52.033 52.037 0.138 0.000 0.744 76 A CB 1.681 20.501 19.000 -0.301 0.000 1.239 76 A HN 1.829 nan 8.150 nan 0.000 0.435 77 A N 2.041 124.984 122.820 0.204 0.000 2.798 77 A HA 0.512 4.832 4.320 0.000 0.000 0.316 77 A C 0.378 178.089 177.584 0.212 0.000 1.506 77 A CA -0.410 51.731 52.037 0.175 0.000 1.162 77 A CB -0.857 18.193 19.000 0.083 0.000 1.138 77 A HN 0.819 nan 8.150 nan 0.000 0.532 78 Y N 1.818 122.268 120.300 0.249 0.000 2.062 78 Y HA -0.368 4.182 4.550 0.000 0.000 0.276 78 Y C 2.600 178.617 175.900 0.195 0.000 1.189 78 Y CA 2.851 61.099 58.100 0.247 0.000 1.130 78 Y CB -0.435 38.102 38.460 0.129 0.000 0.959 78 Y HN 0.648 nan 8.280 nan 0.000 0.499 79 A N -0.427 122.553 122.820 0.267 0.000 1.843 79 A HA -0.156 4.164 4.320 0.000 0.000 0.213 79 A C 2.439 180.079 177.584 0.092 0.000 1.202 79 A CA 1.947 54.081 52.037 0.163 0.000 0.607 79 A CB -1.281 17.795 19.000 0.127 0.000 0.847 79 A HN 0.473 nan 8.150 nan 0.000 0.445 80 S N -1.045 114.690 115.700 0.058 0.000 2.382 80 S HA -0.119 4.351 4.470 0.000 0.000 0.228 80 S C 1.717 176.270 174.600 -0.078 0.000 1.027 80 S CA 2.007 60.207 58.200 -0.001 0.000 0.991 80 S CB -0.807 62.392 63.200 -0.002 0.000 0.823 80 S HN 0.474 nan 8.310 nan 0.000 0.469 81 T N 0.048 114.504 114.554 -0.165 0.000 3.021 81 T HA 0.231 4.581 4.350 0.000 0.000 0.245 81 T C 0.718 175.083 174.700 -0.558 0.000 1.028 81 T CA 0.604 62.433 62.100 -0.452 0.000 1.139 81 T CB -0.216 68.191 68.868 -0.767 0.000 0.884 81 T HN 0.553 nan 8.240 nan 0.000 0.457 82 Y N 0.487 120.806 120.300 0.031 0.000 2.467 82 Y HA 0.460 5.011 4.550 0.000 0.000 0.250 82 Y C 1.734 177.677 175.900 0.072 0.000 1.155 82 Y CA -0.670 57.460 58.100 0.049 0.000 1.249 82 Y CB -0.001 38.437 38.460 -0.037 0.000 1.146 82 Y HN 0.255 nan 8.280 nan 0.000 0.524 83 G N 1.118 110.016 108.800 0.163 0.000 2.283 83 G HA2 -0.263 3.697 3.960 0.000 0.000 0.280 83 G HA3 -0.263 3.697 3.960 0.000 0.000 0.280 83 G C -0.360 174.640 174.900 0.168 0.000 1.029 83 G CA 0.431 45.618 45.100 0.145 0.000 0.840 83 G HN 0.166 nan 8.290 nan 0.000 0.505 84 V N 1.279 121.318 119.914 0.209 0.000 2.370 84 V HA 0.794 4.914 4.120 0.000 0.000 0.283 84 V C 0.594 176.801 176.094 0.188 0.000 1.023 84 V CA 0.290 62.714 62.300 0.207 0.000 0.857 84 V CB 1.569 33.558 31.823 0.277 0.000 0.985 84 V HN 0.838 nan 8.190 nan 0.000 0.443 85 T N 0.920 115.552 114.554 0.130 0.000 2.896 85 T HA 0.855 5.205 4.350 0.000 0.000 0.297 85 T C -0.401 174.345 174.700 0.076 0.000 1.108 85 T CA -0.582 61.577 62.100 0.098 0.000 1.004 85 T CB 2.248 71.168 68.868 0.086 0.000 1.159 85 T HN 0.723 nan 8.240 nan 0.000 0.499 86 T N -1.983 112.604 114.554 0.055 0.000 2.896 86 T HA 0.777 5.127 4.350 0.000 0.000 0.297 86 T C -0.736 173.993 174.700 0.049 0.000 1.108 86 T CA -0.896 61.235 62.100 0.053 0.000 1.004 86 T CB 1.804 70.694 68.868 0.036 0.000 1.159 86 T HN 0.994 nan 8.240 nan 0.000 0.499 87 S N 0.571 116.304 115.700 0.055 0.000 2.536 87 S HA 0.588 5.058 4.470 0.000 0.000 0.246 87 S C 0.783 175.415 174.600 0.054 0.000 1.077 87 S CA 0.641 58.870 58.200 0.049 0.000 1.091 87 S CB -0.003 63.225 63.200 0.046 0.000 1.148 87 S HN 2.196 nan 8.310 nan 0.000 0.447 88 G N 5.508 114.338 108.800 0.050 0.000 2.574 88 G HA2 -0.384 3.576 3.960 0.000 0.000 0.301 88 G HA3 -0.384 3.576 3.960 0.000 0.000 0.301 88 G C 0.400 175.346 174.900 0.076 0.000 1.166 88 G CA 0.883 46.016 45.100 0.054 0.000 0.971 88 G HN 1.427 nan 8.290 nan 0.000 0.542 89 N N 0.637 119.388 118.700 0.085 0.000 2.268 89 N HA 0.441 5.181 4.740 0.000 0.000 0.204 89 N C 0.342 175.925 175.510 0.122 0.000 1.124 89 N CA 1.079 54.198 53.050 0.115 0.000 0.838 89 N CB 0.917 39.474 38.487 0.116 0.000 0.994 89 N HN 0.670 nan 8.380 nan 0.000 0.489 90 S N 0.203 115.965 115.700 0.104 0.000 2.501 90 S HA 0.669 5.139 4.470 0.000 0.000 0.301 90 S C -1.333 173.332 174.600 0.110 0.000 1.096 90 S CA -0.841 57.426 58.200 0.111 0.000 1.063 90 S CB 0.563 63.816 63.200 0.088 0.000 1.042 90 S HN 0.311 nan 8.310 nan 0.000 0.494 91 L N 3.812 125.118 121.223 0.138 0.000 2.409 91 L HA 0.730 5.070 4.340 0.000 0.000 0.272 91 L C -0.984 175.970 176.870 0.140 0.000 0.980 91 L CA 0.107 55.029 54.840 0.136 0.000 0.826 91 L CB 1.960 44.112 42.059 0.155 0.000 1.268 91 L HN 0.567 nan 8.230 nan 0.000 0.407 92 S N 5.727 121.492 115.700 0.108 0.000 2.482 92 S HA 0.762 5.232 4.470 0.000 0.000 0.303 92 S C -0.634 174.031 174.600 0.109 0.000 1.091 92 S CA -0.409 57.843 58.200 0.088 0.000 1.057 92 S CB 1.315 64.556 63.200 0.068 0.000 1.031 92 S HN 0.540 nan 8.310 nan 0.000 0.485 93 I N 2.517 123.152 120.570 0.109 0.000 2.439 93 I HA 0.329 4.499 4.170 0.000 0.000 0.285 93 I C -0.892 175.315 176.117 0.149 0.000 1.021 93 I CA -0.791 60.593 61.300 0.141 0.000 1.091 93 I CB 1.757 39.858 38.000 0.169 0.000 1.242 93 I HN 0.399 nan 8.210 nan 0.000 0.439 94 D N 3.984 124.481 120.400 0.162 0.000 2.313 94 D HA 0.105 4.745 4.640 0.000 0.000 0.247 94 D C 0.510 176.972 176.300 0.270 0.000 1.094 94 D CA -0.229 53.879 54.000 0.179 0.000 0.925 94 D CB 1.538 42.422 40.800 0.140 0.000 1.188 94 D HN 0.315 nan 8.370 nan 0.000 0.430 95 F N 1.494 121.497 119.950 0.089 0.000 2.053 95 F HA -0.004 4.523 4.527 0.000 0.000 0.292 95 F C 0.506 176.378 175.800 0.120 0.000 1.125 95 F CA 0.773 58.837 58.000 0.106 0.000 1.193 95 F CB 0.109 39.150 39.000 0.067 0.000 0.996 95 F HN 0.060 nan 8.300 nan 0.000 0.470 96 V N 1.333 121.231 119.914 -0.027 0.000 2.409 96 V HA 0.362 4.482 4.120 0.000 0.000 0.291 96 V C -0.537 175.547 176.094 -0.017 0.000 1.020 96 V CA -0.584 61.633 62.300 -0.137 0.000 0.848 96 V CB 1.266 32.962 31.823 -0.212 0.000 0.990 96 V HN 0.170 nan 8.190 nan 0.000 0.430 97 T N 4.909 119.457 114.554 -0.011 0.000 2.807 97 T HA 0.470 4.820 4.350 0.000 0.000 0.279 97 T C -0.710 173.967 174.700 -0.037 0.000 0.993 97 T CA -0.622 61.475 62.100 -0.006 0.000 0.970 97 T CB 1.546 70.420 68.868 0.009 0.000 0.950 97 T HN 0.524 nan 8.240 nan 0.000 0.441 98 Q N 2.214 121.991 119.800 -0.037 0.000 2.325 98 Q HA 0.598 4.938 4.340 0.000 0.000 0.262 98 Q C 0.100 176.066 176.000 -0.058 0.000 0.968 98 Q CA -0.434 55.340 55.803 -0.048 0.000 0.877 98 Q CB 2.091 30.807 28.738 -0.036 0.000 1.253 98 Q HN 0.907 nan 8.270 nan 0.000 0.448 99 S N 0.848 116.501 115.700 -0.079 0.000 4.341 99 S HA 0.520 4.990 4.470 0.000 0.000 0.220 99 S C 1.209 175.757 174.600 -0.087 0.000 1.133 99 S CA 0.190 58.338 58.200 -0.086 0.000 1.679 99 S CB -0.194 62.934 63.200 -0.122 0.000 1.237 99 S HN 0.440 nan 8.310 nan 0.000 0.744 100 A N 1.273 124.029 122.820 -0.107 0.000 1.940 100 A HA 0.101 4.421 4.320 0.000 0.000 0.219 100 A C 1.177 178.701 177.584 -0.100 0.000 1.176 100 A CA 1.654 53.626 52.037 -0.107 0.000 0.631 100 A CB -1.001 17.916 19.000 -0.139 0.000 0.814 100 A HN 0.810 nan 8.150 nan 0.000 0.446 101 Q N -2.010 117.727 119.800 -0.105 0.000 2.615 101 Q HA 0.554 4.894 4.340 0.000 0.000 0.298 101 Q C -0.891 175.060 176.000 -0.083 0.000 1.023 101 Q CA -1.072 54.678 55.803 -0.088 0.000 0.768 101 Q CB 1.219 29.903 28.738 -0.089 0.000 1.500 101 Q HN 0.164 nan 8.270 nan 0.000 0.441 102 K N 0.854 121.215 120.400 -0.065 0.000 2.270 102 K HA 0.226 4.546 4.320 0.000 0.000 0.276 102 K C -1.139 175.433 176.600 -0.046 0.000 1.023 102 K CA -0.089 56.164 56.287 -0.057 0.000 0.955 102 K CB 0.676 33.146 32.500 -0.049 0.000 0.975 102 K HN 0.677 nan 8.250 nan 0.000 0.471 103 N N 2.104 120.785 118.700 -0.031 0.000 2.249 103 N HA 0.296 5.036 4.740 0.000 0.000 0.296 103 N C -2.044 173.496 175.510 0.050 0.000 1.051 103 N CA -0.739 52.334 53.050 0.039 0.000 0.815 103 N CB 1.977 40.505 38.487 0.068 0.000 1.487 103 N HN 0.199 nan 8.380 nan 0.000 0.475 104 V N 3.089 123.069 119.914 0.110 0.000 2.350 104 V HA 0.750 4.870 4.120 0.000 0.000 0.285 104 V C 1.101 177.399 176.094 0.341 0.000 1.014 104 V CA 0.160 62.499 62.300 0.065 0.000 0.831 104 V CB 0.184 32.007 31.823 -0.000 0.000 1.000 104 V HN 1.058 nan 8.190 nan 0.000 0.433 105 G N 4.334 113.346 108.800 0.354 0.000 2.598 105 G HA2 0.260 4.220 3.960 0.000 0.000 0.269 105 G HA3 0.260 4.220 3.960 0.000 0.000 0.269 105 G C 0.006 175.194 174.900 0.479 0.000 1.289 105 G CA 0.265 45.645 45.100 0.465 0.000 0.926 105 G HN 2.169 nan 8.290 nan 0.000 0.567 106 A N -1.307 121.670 122.820 0.263 0.000 2.567 106 A HA 0.840 5.160 4.320 0.000 0.000 0.291 106 A C -0.431 176.830 177.584 -0.538 0.000 1.048 106 A CA 0.711 52.487 52.037 -0.434 0.000 0.661 106 A CB 1.334 20.086 19.000 -0.414 0.000 1.288 106 A HN 1.685 nan 8.150 nan 0.000 0.424 107 R N 0.904 120.687 120.500 -1.195 0.000 2.451 107 R HA 0.736 5.076 4.340 0.000 0.000 0.307 107 R C -1.859 173.851 176.300 -0.984 0.000 0.965 107 R CA -0.425 55.180 56.100 -0.825 0.000 0.865 107 R CB 0.838 30.699 30.300 -0.732 0.000 1.174 107 R HN 0.683 nan 8.270 nan 0.000 0.455 108 L N 4.177 124.922 121.223 -0.796 0.000 2.354 108 L HA 0.584 4.924 4.340 0.000 0.000 0.269 108 L C -1.214 175.149 176.870 -0.845 0.000 1.005 108 L CA -1.131 53.252 54.840 -0.761 0.000 0.819 108 L CB 1.753 43.589 42.059 -0.372 0.000 1.311 108 L HN 0.530 nan 8.230 nan 0.000 0.423 109 Y N 1.377 121.526 120.300 -0.253 0.000 2.446 109 Y HA 0.501 5.051 4.550 0.000 0.000 0.345 109 Y C -0.276 175.508 175.900 -0.194 0.000 0.984 109 Y CA -1.105 56.810 58.100 -0.309 0.000 1.058 109 Y CB 1.720 39.919 38.460 -0.434 0.000 1.220 109 Y HN 0.286 nan 8.280 nan 0.000 0.455 110 L N 4.236 125.426 121.223 -0.055 0.000 2.319 110 L HA 0.431 4.771 4.340 0.000 0.000 0.280 110 L C -0.627 176.287 176.870 0.074 0.000 1.099 110 L CA 0.017 54.838 54.840 -0.031 0.000 0.828 110 L CB 0.097 42.101 42.059 -0.093 0.000 1.150 110 L HN 0.621 nan 8.230 nan 0.000 0.442 111 M N 4.194 123.832 119.600 0.064 0.000 2.478 111 M HA 0.433 4.913 4.480 0.000 0.000 0.327 111 M C 0.901 177.245 176.300 0.074 0.000 1.187 111 M CA -0.339 55.003 55.300 0.070 0.000 1.022 111 M CB 1.762 34.327 32.600 -0.057 0.000 1.629 111 M HN 0.768 nan 8.290 nan 0.000 0.461 112 A N 1.080 123.931 122.820 0.051 0.000 1.924 112 A HA 0.164 4.484 4.320 0.000 0.000 0.211 112 A C 0.863 178.471 177.584 0.040 0.000 1.198 112 A CA 1.152 53.223 52.037 0.058 0.000 0.657 112 A CB 0.068 19.081 19.000 0.021 0.000 0.852 112 A HN 0.841 nan 8.150 nan 0.000 0.454 113 S N -2.129 113.574 115.700 0.006 0.000 2.720 113 S HA 0.418 4.888 4.470 0.000 0.000 0.287 113 S C -0.618 173.981 174.600 -0.002 0.000 1.168 113 S CA -0.311 57.894 58.200 0.008 0.000 0.832 113 S CB 0.762 63.960 63.200 -0.003 0.000 1.166 113 S HN 0.027 nan 8.310 nan 0.000 0.493 114 D N 1.091 121.517 120.400 0.043 0.000 2.392 114 D HA 0.063 4.703 4.640 0.000 0.000 0.228 114 D C 1.305 177.645 176.300 0.068 0.000 1.003 114 D CA 1.670 55.746 54.000 0.126 0.000 0.917 114 D CB -0.128 40.757 40.800 0.142 0.000 0.890 114 D HN 0.775 nan 8.370 nan 0.000 0.532 115 T N -3.636 110.903 114.554 -0.026 0.000 3.111 115 T HA 0.155 4.505 4.350 0.000 0.000 0.284 115 T C 0.553 175.151 174.700 -0.170 0.000 0.983 115 T CA -0.363 61.694 62.100 -0.071 0.000 0.900 115 T CB 0.425 69.276 68.868 -0.029 0.000 1.132 115 T HN 0.034 nan 8.240 nan 0.000 0.531 116 T N -0.417 114.023 114.554 -0.191 0.000 2.916 116 T HA 0.677 5.027 4.350 0.000 0.000 0.305 116 T C -1.413 173.168 174.700 -0.198 0.000 1.119 116 T CA -0.777 61.183 62.100 -0.233 0.000 1.008 116 T CB 1.421 70.225 68.868 -0.106 0.000 1.129 116 T HN 0.046 nan 8.240 nan 0.000 0.480 117 Y N 1.062 121.326 120.300 -0.060 0.000 2.301 117 Y HA 0.563 5.113 4.550 0.000 0.000 0.325 117 Y C 0.790 176.646 175.900 -0.072 0.000 1.203 117 Y CA -0.836 57.222 58.100 -0.070 0.000 1.255 117 Y CB 0.917 39.322 38.460 -0.092 0.000 1.232 117 Y HN 0.713 nan 8.280 nan 0.000 0.501 118 Q N 2.505 122.367 119.800 0.103 0.000 2.286 118 Q HA 0.194 4.534 4.340 0.000 0.000 0.257 118 Q C -1.108 174.829 176.000 -0.105 0.000 0.941 118 Q CA -0.089 55.675 55.803 -0.065 0.000 0.912 118 Q CB 0.569 29.223 28.738 -0.140 0.000 1.192 118 Q HN 0.494 nan 8.270 nan 0.000 0.410 119 E N 3.384 123.465 120.200 -0.197 0.000 2.191 119 E HA 0.395 4.745 4.350 0.000 0.000 0.274 119 E C -0.972 175.430 176.600 -0.331 0.000 0.948 119 E CA -0.438 55.888 56.400 -0.124 0.000 0.802 119 E CB 1.113 30.775 29.700 -0.064 0.000 1.137 119 E HN 0.512 nan 8.360 nan 0.000 0.397 120 F N 0.003 119.835 119.950 -0.197 0.000 2.540 120 F HA 0.261 4.788 4.527 0.000 0.000 0.317 120 F C 0.405 176.031 175.800 -0.290 0.000 1.104 120 F CA -0.675 57.100 58.000 -0.375 0.000 0.913 120 F CB 2.097 40.693 39.000 -0.673 0.000 1.170 120 F HN 0.033 nan 8.300 nan 0.000 0.450 121 T N 4.791 119.381 114.554 0.059 0.000 2.781 121 T HA 0.330 4.680 4.350 0.000 0.000 0.305 121 T C 1.343 176.102 174.700 0.098 0.000 1.001 121 T CA -0.356 61.764 62.100 0.032 0.000 0.950 121 T CB 0.490 69.401 68.868 0.072 0.000 0.955 121 T HN 0.500 nan 8.240 nan 0.000 0.471 122 L N 2.424 123.540 121.223 -0.178 0.000 2.109 122 L HA 0.118 4.458 4.340 0.000 0.000 0.207 122 L C 1.103 177.913 176.870 -0.101 0.000 1.086 122 L CA 0.357 55.021 54.840 -0.294 0.000 0.760 122 L CB -0.247 41.177 42.059 -1.058 0.000 0.910 122 L HN 0.446 nan 8.230 nan 0.000 0.437 123 L N 1.211 122.392 121.223 -0.070 0.000 2.601 123 L HA 0.121 4.461 4.340 0.000 0.000 0.277 123 L C 1.179 178.106 176.870 0.095 0.000 1.219 123 L CA 1.347 56.222 54.840 0.058 0.000 0.915 123 L CB 0.265 42.339 42.059 0.025 0.000 1.160 123 L HN 0.365 nan 8.230 nan 0.000 0.494 124 G N 2.441 111.322 108.800 0.135 0.000 2.179 124 G HA2 -0.281 3.679 3.960 0.000 0.000 0.260 124 G HA3 -0.281 3.679 3.960 0.000 0.000 0.260 124 G C 0.483 175.430 174.900 0.079 0.000 0.977 124 G CA 0.347 45.505 45.100 0.095 0.000 0.641 124 G HN 0.674 nan 8.290 nan 0.000 0.533 125 N N 0.323 119.092 118.700 0.116 0.000 2.653 125 N HA 0.612 5.352 4.740 0.000 0.000 0.294 125 N C -0.422 175.202 175.510 0.189 0.000 1.305 125 N CA -0.024 53.042 53.050 0.027 0.000 0.827 125 N CB 1.485 39.870 38.487 -0.170 0.000 1.415 125 N HN 0.703 nan 8.380 nan 0.000 0.546 126 E N -0.474 119.781 120.200 0.092 0.000 2.343 126 E HA 0.499 4.849 4.350 0.000 0.000 0.270 126 E C -1.671 175.128 176.600 0.332 0.000 0.895 126 E CA -0.722 55.821 56.400 0.239 0.000 0.767 126 E CB 2.152 31.918 29.700 0.111 0.000 1.248 126 E HN 0.353 nan 8.360 nan 0.000 0.440 127 F N 1.677 121.808 119.950 0.302 0.000 2.507 127 F HA 0.525 5.052 4.527 0.000 0.000 0.325 127 F C -0.904 175.037 175.800 0.234 0.000 1.116 127 F CA -0.444 57.770 58.000 0.356 0.000 0.930 127 F CB 2.167 41.412 39.000 0.408 0.000 1.146 127 F HN 0.518 nan 8.300 nan 0.000 0.447 128 S N 6.297 121.829 115.700 -0.280 0.000 2.542 128 S HA 0.886 5.356 4.470 0.000 0.000 0.293 128 S C -1.340 173.145 174.600 -0.192 0.000 1.089 128 S CA -0.362 57.724 58.200 -0.189 0.000 0.961 128 S CB 1.018 64.122 63.200 -0.160 0.000 1.062 128 S HN 0.704 nan 8.310 nan 0.000 0.483 129 F N 0.502 120.321 119.950 -0.218 0.000 2.703 129 F HA 0.670 5.197 4.527 0.000 0.000 0.308 129 F C -1.615 174.139 175.800 -0.077 0.000 1.126 129 F CA -1.054 56.867 58.000 -0.132 0.000 0.959 129 F CB 0.537 39.513 39.000 -0.039 0.000 1.297 129 F HN 0.316 nan 8.300 nan 0.000 0.441 130 D N 1.637 122.071 120.400 0.056 0.000 2.181 130 D HA 0.629 5.269 4.640 0.000 0.000 0.248 130 D C -1.129 175.260 176.300 0.148 0.000 1.020 130 D CA -0.316 53.669 54.000 -0.025 0.000 0.891 130 D CB 2.370 43.187 40.800 0.028 0.000 1.187 130 D HN 0.669 nan 8.370 nan 0.000 0.443 131 V N 1.254 121.184 119.914 0.026 0.000 2.932 131 V HA 0.323 4.443 4.120 0.000 0.000 0.307 131 V C -1.875 174.238 176.094 0.031 0.000 1.147 131 V CA -0.709 61.644 62.300 0.089 0.000 0.951 131 V CB 2.448 34.385 31.823 0.189 0.000 1.031 131 V HN 0.453 nan 8.190 nan 0.000 0.426 132 D N 4.111 124.506 120.400 -0.008 0.000 2.453 132 D HA 0.349 4.989 4.640 0.000 0.000 0.238 132 D C 0.405 176.694 176.300 -0.017 0.000 1.088 132 D CA 0.018 54.012 54.000 -0.009 0.000 0.854 132 D CB 1.926 42.714 40.800 -0.020 0.000 1.076 132 D HN 0.586 nan 8.370 nan 0.000 0.533 133 V N 1.842 121.775 119.914 0.032 0.000 3.483 133 V HA 0.097 4.217 4.120 0.000 0.000 0.301 133 V C 1.767 177.835 176.094 -0.043 0.000 1.389 133 V CA 0.654 62.972 62.300 0.031 0.000 1.101 133 V CB -0.309 31.612 31.823 0.163 0.000 0.971 133 V HN 0.450 nan 8.190 nan 0.000 0.434 134 S N 0.749 116.415 115.700 -0.056 0.000 2.402 134 S HA -0.231 4.239 4.470 0.000 0.000 0.233 134 S C 1.562 176.115 174.600 -0.078 0.000 1.030 134 S CA 1.528 59.681 58.200 -0.077 0.000 1.003 134 S CB -0.565 62.599 63.200 -0.061 0.000 0.813 134 S HN 0.641 nan 8.310 nan 0.000 0.477 135 Q N 0.833 120.593 119.800 -0.067 0.000 2.212 135 Q HA 0.435 4.775 4.340 0.000 0.000 0.213 135 Q C -0.563 175.376 176.000 -0.103 0.000 0.874 135 Q CA 0.109 55.871 55.803 -0.068 0.000 0.965 135 Q CB 0.048 28.762 28.738 -0.040 0.000 1.074 135 Q HN 0.595 nan 8.270 nan 0.000 0.473 136 L N 3.301 124.450 121.223 -0.124 0.000 2.337 136 L HA 0.374 4.714 4.340 0.000 0.000 0.269 136 L C -2.174 174.580 176.870 -0.193 0.000 1.018 136 L CA -1.602 53.132 54.840 -0.177 0.000 0.876 136 L CB 1.388 43.358 42.059 -0.149 0.000 1.236 136 L HN -0.099 nan 8.230 nan 0.000 0.436 137 P HA 0.133 nan 4.420 nan 0.000 0.293 137 P C -0.185 176.975 177.300 -0.233 0.000 1.304 137 P CA -0.683 62.300 63.100 -0.195 0.000 0.767 137 P CB 0.880 32.483 31.700 -0.162 0.000 1.247 138 c N -0.725 117.750 118.600 -0.210 0.000 2.597 138 c HA 0.330 4.901 4.570 0.000 0.000 0.412 138 c C 2.011 175.945 174.090 -0.259 0.000 1.348 138 c CA 2.067 58.256 56.329 -0.234 0.000 1.769 138 c CB -1.369 41.027 42.510 -0.190 0.000 2.641 138 c HN 0.977 nan 8.230 nan 0.000 0.612 139 G N 1.966 110.577 108.800 -0.314 0.000 2.217 139 G HA2 -0.208 3.752 3.960 0.000 0.000 0.246 139 G HA3 -0.208 3.752 3.960 0.000 0.000 0.246 139 G C -0.318 174.351 174.900 -0.385 0.000 0.990 139 G CA 0.087 44.995 45.100 -0.321 0.000 0.627 139 G HN 0.552 nan 8.290 nan 0.000 0.522 140 L N 0.574 121.541 121.223 -0.427 0.000 2.352 140 L HA 0.775 5.115 4.340 0.000 0.000 0.269 140 L C 0.063 176.641 176.870 -0.486 0.000 1.034 140 L CA -0.981 53.567 54.840 -0.487 0.000 0.806 140 L CB 1.776 43.498 42.059 -0.561 0.000 1.244 140 L HN 0.189 nan 8.230 nan 0.000 0.447 141 N N 0.582 118.977 118.700 -0.508 0.000 2.558 141 N HA 0.387 5.127 4.740 0.000 0.000 0.285 141 N C -0.814 174.639 175.510 -0.095 0.000 1.112 141 N CA -0.362 52.415 53.050 -0.455 0.000 0.857 141 N CB 1.834 39.765 38.487 -0.927 0.000 1.376 141 N HN 0.653 nan 8.380 nan 0.000 0.526 142 G N 1.729 110.573 108.800 0.073 0.000 2.393 142 G HA2 0.622 4.582 3.960 0.000 0.000 0.311 142 G HA3 0.622 4.582 3.960 0.000 0.000 0.311 142 G C -0.454 174.805 174.900 0.597 0.000 1.067 142 G CA -0.368 44.925 45.100 0.323 0.000 1.000 142 G HN 0.625 nan 8.290 nan 0.000 0.422 143 A N 2.747 125.981 122.820 0.689 0.000 2.324 143 A HA 0.823 5.143 4.320 0.000 0.000 0.330 143 A C -0.759 177.100 177.584 0.459 0.000 1.165 143 A CA -0.712 51.723 52.037 0.663 0.000 0.813 143 A CB 1.598 21.006 19.000 0.680 0.000 1.197 143 A HN 0.950 nan 8.150 nan 0.000 0.484 144 L N 2.973 124.385 121.223 0.315 0.000 2.406 144 L HA 0.784 5.124 4.340 0.000 0.000 0.272 144 L C -1.407 175.471 176.870 0.014 0.000 0.980 144 L CA -0.561 54.116 54.840 -0.273 0.000 0.831 144 L CB 1.363 42.905 42.059 -0.863 0.000 1.253 144 L HN 0.913 nan 8.230 nan 0.000 0.406 145 Y N 2.172 122.252 120.300 -0.367 0.000 2.764 145 Y HA 0.709 5.259 4.550 0.000 0.000 0.331 145 Y C -1.968 173.631 175.900 -0.502 0.000 1.280 145 Y CA -1.804 56.158 58.100 -0.230 0.000 1.065 145 Y CB 0.937 39.409 38.460 0.020 0.000 1.319 145 Y HN 0.282 nan 8.280 nan 0.000 0.453 146 F N 1.229 121.171 119.950 -0.013 0.000 2.551 146 F HA 0.748 5.275 4.527 0.000 0.000 0.316 146 F C -0.389 175.422 175.800 0.018 0.000 1.089 146 F CA -1.001 56.909 58.000 -0.151 0.000 0.915 146 F CB 2.489 41.350 39.000 -0.231 0.000 1.186 146 F HN 0.566 nan 8.300 nan 0.000 0.456 147 V N -1.207 118.763 119.914 0.094 0.000 3.007 147 V HA 0.546 4.666 4.120 0.000 0.000 0.311 147 V C -0.396 175.675 176.094 -0.038 0.000 1.120 147 V CA -1.014 61.309 62.300 0.038 0.000 0.980 147 V CB 1.609 33.407 31.823 -0.043 0.000 1.033 147 V HN 0.632 nan 8.190 nan 0.000 0.429 148 S N 4.191 119.859 115.700 -0.054 0.000 4.183 148 S HA 0.421 4.891 4.470 0.000 0.000 0.195 148 S C -0.004 174.545 174.600 -0.084 0.000 1.421 148 S CA -0.155 58.003 58.200 -0.069 0.000 0.920 148 S CB -0.965 62.194 63.200 -0.069 0.000 1.525 148 S HN 0.660 nan 8.310 nan 0.000 0.447 149 M N 1.543 121.077 119.600 -0.109 0.000 2.359 149 M HA 0.277 4.757 4.480 0.000 0.000 0.322 149 M C -0.069 176.214 176.300 -0.027 0.000 1.166 149 M CA -0.715 54.521 55.300 -0.108 0.000 1.067 149 M CB 0.640 33.098 32.600 -0.236 0.000 1.523 149 M HN 0.140 nan 8.290 nan 0.000 0.467 150 D N 0.976 121.391 120.400 0.025 0.000 2.372 150 D HA 0.175 4.815 4.640 0.000 0.000 0.243 150 D C 0.597 176.972 176.300 0.124 0.000 1.121 150 D CA 0.101 54.133 54.000 0.052 0.000 0.898 150 D CB 1.311 42.143 40.800 0.053 0.000 1.202 150 D HN 0.705 nan 8.370 nan 0.000 0.428 151 A N 2.294 125.161 122.820 0.078 0.000 2.019 151 A HA -0.182 4.138 4.320 0.000 0.000 0.219 151 A C 1.297 178.861 177.584 -0.033 0.000 1.164 151 A CA 1.428 53.516 52.037 0.085 0.000 0.644 151 A CB -0.187 18.824 19.000 0.019 0.000 0.805 151 A HN 0.600 nan 8.150 nan 0.000 0.449 152 D N -2.567 117.806 120.400 -0.044 0.000 2.349 152 D HA 0.290 4.930 4.640 0.000 0.000 0.214 152 D C 1.117 177.353 176.300 -0.107 0.000 1.063 152 D CA 0.732 54.664 54.000 -0.113 0.000 0.847 152 D CB -0.576 40.187 40.800 -0.061 0.000 0.933 152 D HN 0.708 nan 8.370 nan 0.000 0.513 153 G N -0.368 108.433 108.800 0.003 0.000 2.148 153 G HA2 -0.108 3.852 3.960 0.000 0.000 0.254 153 G HA3 -0.108 3.852 3.960 0.000 0.000 0.254 153 G C 1.148 176.121 174.900 0.121 0.000 0.981 153 G CA 0.373 45.547 45.100 0.123 0.000 0.670 153 G HN 1.393 nan 8.290 nan 0.000 0.528 154 G N -2.591 106.271 108.800 0.103 0.000 2.179 154 G HA2 -0.131 3.829 3.960 0.000 0.000 0.220 154 G HA3 -0.131 3.829 3.960 0.000 0.000 0.220 154 G C 1.316 176.297 174.900 0.135 0.000 0.990 154 G CA 1.038 46.236 45.100 0.164 0.000 0.646 154 G HN 1.413 nan 8.290 nan 0.000 0.517 155 V N 2.007 121.955 119.914 0.057 0.000 2.287 155 V HA -0.220 3.900 4.120 0.000 0.000 0.248 155 V C 3.123 179.206 176.094 -0.020 0.000 1.053 155 V CA 3.375 65.689 62.300 0.024 0.000 1.027 155 V CB -0.801 31.020 31.823 -0.003 0.000 0.646 155 V HN 1.071 nan 8.190 nan 0.000 0.447 156 S N 0.205 115.876 115.700 -0.049 0.000 2.382 156 S HA -0.241 4.229 4.470 0.000 0.000 0.228 156 S C 1.925 176.424 174.600 -0.168 0.000 1.027 156 S CA 1.564 59.712 58.200 -0.086 0.000 0.991 156 S CB -0.424 62.731 63.200 -0.075 0.000 0.823 156 S HN 0.649 nan 8.310 nan 0.000 0.469 157 K N -0.131 120.108 120.400 -0.268 0.000 2.167 157 K HA 0.080 4.400 4.320 0.000 0.000 0.203 157 K C -0.448 175.594 176.600 -0.930 0.000 1.052 157 K CA 0.724 56.638 56.287 -0.621 0.000 0.956 157 K CB -0.008 32.009 32.500 -0.806 0.000 0.735 157 K HN 0.502 nan 8.250 nan 0.000 0.451 158 Y N -0.226 120.067 120.300 -0.011 0.000 2.681 158 Y HA 0.243 4.793 4.550 0.000 0.000 0.347 158 Y C -2.216 173.674 175.900 -0.016 0.000 1.029 158 Y CA -2.733 55.362 58.100 -0.009 0.000 1.279 158 Y CB 1.249 39.710 38.460 0.001 0.000 1.096 158 Y HN -0.054 nan 8.280 nan 0.000 0.580 159 P HA -0.196 nan 4.420 nan 0.000 0.218 159 P C 1.501 178.814 177.300 0.021 0.000 1.146 159 P CA 2.072 65.181 63.100 0.015 0.000 0.820 159 P CB 0.126 31.823 31.700 -0.005 0.000 0.778 160 T N -5.264 109.318 114.554 0.047 0.000 3.113 160 T HA -0.058 4.292 4.350 0.000 0.000 0.263 160 T C 0.800 175.491 174.700 -0.014 0.000 1.143 160 T CA 0.200 62.310 62.100 0.016 0.000 1.090 160 T CB -0.869 68.017 68.868 0.030 0.000 0.922 160 T HN -0.007 nan 8.240 nan 0.000 0.521 161 N N 2.136 120.844 118.700 0.013 0.000 2.546 161 N HA 0.192 4.932 4.740 0.000 0.000 0.238 161 N C 0.668 176.162 175.510 -0.027 0.000 0.984 161 N CA -0.227 52.809 53.050 -0.024 0.000 0.935 161 N CB 1.452 39.962 38.487 0.039 0.000 1.122 161 N HN 0.293 nan 8.380 nan 0.000 0.510 162 T N -0.245 114.268 114.554 -0.069 0.000 3.054 162 T HA 0.317 4.668 4.350 0.000 0.000 0.255 162 T C 1.379 176.048 174.700 -0.051 0.000 1.035 162 T CA 0.285 62.353 62.100 -0.053 0.000 0.941 162 T CB 0.237 69.066 68.868 -0.064 0.000 1.026 162 T HN 0.278 nan 8.240 nan 0.000 0.533 163 A N 1.869 124.643 122.820 -0.076 0.000 1.854 163 A HA 0.564 4.884 4.320 0.000 0.000 0.214 163 A C 1.855 179.519 177.584 0.134 0.000 1.192 163 A CA 1.005 53.023 52.037 -0.032 0.000 0.611 163 A CB -1.362 17.560 19.000 -0.130 0.000 0.832 163 A HN 1.425 nan 8.150 nan 0.000 0.442 164 G N -2.029 106.813 108.800 0.071 0.000 2.645 164 G HA2 0.084 4.045 3.960 0.000 0.000 0.246 164 G HA3 0.084 4.045 3.960 0.000 0.000 0.246 164 G C 1.105 176.015 174.900 0.017 0.000 1.322 164 G CA 0.927 46.050 45.100 0.038 0.000 0.898 164 G HN 1.540 nan 8.290 nan 0.000 0.573 165 A N -0.480 122.217 122.820 -0.206 0.000 2.024 165 A HA -0.057 4.263 4.320 0.000 0.000 0.220 165 A C 2.257 179.686 177.584 -0.259 0.000 1.164 165 A CA 2.725 54.419 52.037 -0.571 0.000 0.643 165 A CB -0.454 17.796 19.000 -1.250 0.000 0.806 165 A HN 1.092 nan 8.150 nan 0.000 0.451 166 K N -1.890 118.444 120.400 -0.110 0.000 2.209 166 K HA -0.146 4.174 4.320 0.000 0.000 0.204 166 K C 0.287 176.764 176.600 -0.205 0.000 1.048 166 K CA 1.405 57.654 56.287 -0.063 0.000 0.940 166 K CB -0.192 32.298 32.500 -0.016 0.000 0.729 166 K HN 0.595 nan 8.250 nan 0.000 0.451 167 Y N -0.408 119.972 120.300 0.133 0.000 2.696 167 Y HA 0.271 4.821 4.550 0.000 0.000 0.260 167 Y C 0.660 176.669 175.900 0.181 0.000 1.165 167 Y CA -0.072 58.118 58.100 0.151 0.000 1.189 167 Y CB 1.181 39.686 38.460 0.075 0.000 1.180 167 Y HN 0.185 nan 8.280 nan 0.000 0.538 168 G N 1.763 110.743 108.800 0.300 0.000 2.323 168 G HA2 -0.314 3.646 3.960 0.000 0.000 0.292 168 G HA3 -0.314 3.646 3.960 0.000 0.000 0.292 168 G C 0.320 175.476 174.900 0.427 0.000 1.040 168 G CA 0.622 45.995 45.100 0.456 0.000 0.942 168 G HN 0.458 nan 8.290 nan 0.000 0.506 169 T N -3.603 111.150 114.554 0.331 0.000 2.862 169 T HA 0.723 5.074 4.350 0.000 0.000 0.276 169 T C 1.578 176.431 174.700 0.255 0.000 0.974 169 T CA 0.561 62.819 62.100 0.262 0.000 0.966 169 T CB 1.957 70.927 68.868 0.170 0.000 1.072 169 T HN 2.052 nan 8.240 nan 0.000 0.538 170 G N -0.472 108.449 108.800 0.201 0.000 2.157 170 G HA2 -0.255 3.705 3.960 0.000 0.000 0.248 170 G HA3 -0.255 3.705 3.960 0.000 0.000 0.248 170 G C -0.121 174.828 174.900 0.083 0.000 0.979 170 G CA 0.133 45.320 45.100 0.145 0.000 0.650 170 G HN 1.106 nan 8.290 nan 0.000 0.529 171 Y N 1.407 121.697 120.300 -0.018 0.000 2.683 171 Y HA 0.327 4.877 4.550 0.000 0.000 0.340 171 Y C 1.020 176.914 175.900 -0.010 0.000 1.245 171 Y CA 0.263 58.329 58.100 -0.056 0.000 1.485 171 Y CB 0.412 38.929 38.460 0.094 0.000 1.328 171 Y HN 1.013 nan 8.280 nan 0.000 0.603 172 c N 4.058 122.133 118.600 -0.875 0.000 3.284 172 c HA 0.777 5.347 4.570 0.000 0.000 0.338 172 c C -1.482 172.113 174.090 -0.825 0.000 1.237 172 c CA -0.607 55.345 56.329 -0.629 0.000 1.276 172 c CB 1.011 43.352 42.510 -0.280 0.000 1.601 172 c HN 1.006 nan 8.230 nan 0.000 0.494 173 D N -0.019 120.100 120.400 -0.468 0.000 2.692 173 D HA 0.440 5.080 4.640 0.000 0.000 0.303 173 D C 0.602 176.807 176.300 -0.158 0.000 1.278 173 D CA 0.234 54.067 54.000 -0.279 0.000 0.852 173 D CB 0.743 41.419 40.800 -0.207 0.000 1.375 173 D HN 0.980 nan 8.370 nan 0.000 0.453 174 S N -1.260 114.346 115.700 -0.157 0.000 2.595 174 S HA -0.135 4.335 4.470 0.000 0.000 0.235 174 S C 0.942 175.475 174.600 -0.113 0.000 0.974 174 S CA 0.580 58.709 58.200 -0.117 0.000 0.942 174 S CB -0.396 62.715 63.200 -0.149 0.000 0.766 174 S HN 0.431 nan 8.310 nan 0.000 0.536 175 Q N -0.055 119.666 119.800 -0.131 0.000 2.392 175 Q HA 0.240 4.580 4.340 0.000 0.000 0.203 175 Q C 0.612 176.598 176.000 -0.023 0.000 0.917 175 Q CA 0.119 55.863 55.803 -0.098 0.000 0.939 175 Q CB -0.617 28.052 28.738 -0.115 0.000 1.063 175 Q HN 0.682 nan 8.270 nan 0.000 0.516 176 c N 2.426 121.011 118.600 -0.026 0.000 4.056 176 c HA -0.110 4.460 4.570 0.000 0.000 0.302 176 c C -2.075 172.040 174.090 0.041 0.000 1.356 176 c CA -0.885 55.440 56.329 -0.007 0.000 2.074 176 c CB -2.153 40.355 42.510 -0.003 0.000 1.328 176 c HN 0.339 nan 8.230 nan 0.000 0.684 177 P HA -0.010 nan 4.420 nan 0.000 0.257 177 P C 0.542 177.785 177.300 -0.095 0.000 1.162 177 P CA 1.129 64.268 63.100 0.066 0.000 0.762 177 P CB 0.367 32.143 31.700 0.127 0.000 0.753 178 R N 2.192 122.524 120.500 -0.280 0.000 2.362 178 R HA 0.029 4.369 4.340 0.000 0.000 0.227 178 R C 1.391 177.483 176.300 -0.346 0.000 0.905 178 R CA 0.170 56.142 56.100 -0.213 0.000 1.067 178 R CB 0.130 30.366 30.300 -0.107 0.000 1.078 178 R HN 0.565 nan 8.270 nan 0.000 0.516 179 D N 0.557 120.564 120.400 -0.655 0.000 2.349 179 D HA -0.059 4.581 4.640 0.000 0.000 0.215 179 D C 0.388 176.644 176.300 -0.073 0.000 1.016 179 D CA 0.109 53.825 54.000 -0.474 0.000 0.870 179 D CB 0.216 40.597 40.800 -0.698 0.000 0.917 179 D HN 0.135 nan 8.370 nan 0.000 0.524 180 L N 1.070 122.279 121.223 -0.024 0.000 2.455 180 L HA 0.122 4.462 4.340 0.000 0.000 0.272 180 L C 1.655 178.607 176.870 0.137 0.000 1.174 180 L CA -0.224 54.666 54.840 0.083 0.000 0.869 180 L CB 0.838 42.974 42.059 0.129 0.000 1.130 180 L HN -0.236 nan 8.230 nan 0.000 0.474 181 K N 2.483 122.905 120.400 0.037 0.000 2.228 181 K HA 0.093 4.414 4.320 0.000 0.000 0.202 181 K C -0.428 175.985 176.600 -0.311 0.000 1.051 181 K CA 0.996 57.216 56.287 -0.111 0.000 0.960 181 K CB 0.187 32.408 32.500 -0.465 0.000 0.743 181 K HN 0.256 nan 8.250 nan 0.000 0.458 182 F N 0.491 120.523 119.950 0.137 0.000 2.539 182 F HA 0.451 4.978 4.527 0.000 0.000 0.318 182 F C -0.489 175.350 175.800 0.065 0.000 1.135 182 F CA -0.875 57.177 58.000 0.087 0.000 0.915 182 F CB 1.459 40.503 39.000 0.074 0.000 1.176 182 F HN -0.266 nan 8.300 nan 0.000 0.440 183 I N 3.316 124.000 120.570 0.190 0.000 2.534 183 I HA 0.290 4.460 4.170 0.000 0.000 0.288 183 I C -0.701 175.371 176.117 -0.075 0.000 1.077 183 I CA -0.980 60.359 61.300 0.065 0.000 1.051 183 I CB 1.881 39.914 38.000 0.054 0.000 1.234 183 I HN 0.563 nan 8.210 nan 0.000 0.425 184 N N 4.351 122.902 118.700 -0.248 0.000 2.740 184 N HA -0.182 4.558 4.740 0.000 0.000 0.248 184 N C 0.848 176.133 175.510 -0.374 0.000 1.062 184 N CA 1.468 54.066 53.050 -0.754 0.000 0.704 184 N CB -1.083 36.746 38.487 -1.095 0.000 0.968 184 N HN 1.185 nan 8.380 nan 0.000 0.547 185 G N -1.482 107.288 108.800 -0.051 0.000 2.166 185 G HA2 -0.347 3.613 3.960 0.000 0.000 0.260 185 G HA3 -0.347 3.613 3.960 0.000 0.000 0.260 185 G C -0.124 174.818 174.900 0.071 0.000 0.986 185 G CA 0.942 46.071 45.100 0.049 0.000 0.683 185 G HN 0.615 nan 8.290 nan 0.000 0.527 186 Q N -0.788 119.073 119.800 0.102 0.000 2.423 186 Q HA 0.750 5.090 4.340 0.000 0.000 0.278 186 Q C 0.288 176.403 176.000 0.193 0.000 1.097 186 Q CA -0.445 55.430 55.803 0.120 0.000 0.809 186 Q CB 2.073 30.839 28.738 0.047 0.000 1.391 186 Q HN 0.663 nan 8.270 nan 0.000 0.428 187 A N 1.052 123.887 122.820 0.025 0.000 2.310 187 A HA 0.229 4.549 4.320 0.000 0.000 0.260 187 A C 0.235 177.575 177.584 -0.406 0.000 1.112 187 A CA -0.089 51.681 52.037 -0.444 0.000 0.804 187 A CB 0.157 18.642 19.000 -0.859 0.000 1.081 187 A HN 0.736 nan 8.150 nan 0.000 0.499 188 N N -0.467 117.921 118.700 -0.520 0.000 2.338 188 N HA 0.083 4.823 4.740 0.000 0.000 0.251 188 N C 0.717 176.058 175.510 -0.281 0.000 1.199 188 N CA 0.300 53.216 53.050 -0.224 0.000 0.879 188 N CB 0.408 38.956 38.487 0.101 0.000 1.159 188 N HN 0.329 nan 8.380 nan 0.000 0.514 189 V N 0.003 119.392 119.914 -0.873 0.000 2.515 189 V HA 0.004 4.124 4.120 0.000 0.000 0.250 189 V C 0.345 176.263 176.094 -0.294 0.000 1.058 189 V CA 1.263 62.975 62.300 -0.981 0.000 1.064 189 V CB -0.167 30.808 31.823 -1.412 0.000 0.675 189 V HN 0.306 nan 8.190 nan 0.000 0.461 190 E N 0.167 120.203 120.200 -0.274 0.000 2.351 190 E HA 0.378 4.728 4.350 0.000 0.000 0.266 190 E C 1.038 177.594 176.600 -0.074 0.000 1.031 190 E CA 0.598 56.903 56.400 -0.158 0.000 0.911 190 E CB 0.314 29.897 29.700 -0.195 0.000 0.986 190 E HN 0.589 nan 8.360 nan 0.000 0.446 191 G N 3.661 112.465 108.800 0.006 0.000 2.159 191 G HA2 -0.268 3.692 3.960 0.000 0.000 0.256 191 G HA3 -0.268 3.692 3.960 0.000 0.000 0.256 191 G C -0.183 174.783 174.900 0.111 0.000 0.977 191 G CA -0.361 44.759 45.100 0.033 0.000 0.652 191 G HN 0.656 nan 8.290 nan 0.000 0.531 192 W N 1.589 122.884 121.300 -0.009 0.000 2.322 192 W HA 0.474 5.134 4.660 0.000 0.000 0.328 192 W C -0.521 176.045 176.519 0.079 0.000 1.395 192 W CA 0.556 57.948 57.345 0.079 0.000 1.267 192 W CB 0.572 30.163 29.460 0.220 0.000 1.259 192 W HN 0.126 nan 8.180 nan 0.000 0.560 193 E N 7.824 127.818 120.200 -0.342 0.000 2.244 193 E HA 0.280 4.630 4.350 0.000 0.000 0.260 193 E C -2.217 174.152 176.600 -0.385 0.000 0.884 193 E CA -1.946 54.325 56.400 -0.215 0.000 0.777 193 E CB 2.025 31.642 29.700 -0.139 0.000 1.197 193 E HN 0.209 nan 8.360 nan 0.000 0.416 194 P HA 0.058 nan 4.420 nan 0.000 0.272 194 P C -0.024 177.225 177.300 -0.086 0.000 1.223 194 P CA -0.213 62.852 63.100 -0.059 0.000 0.784 194 P CB 0.824 32.566 31.700 0.070 0.000 0.923 195 S N 0.971 116.626 115.700 -0.076 0.000 2.584 195 S HA 0.082 4.553 4.470 0.000 0.000 0.270 195 S C 1.647 176.215 174.600 -0.053 0.000 1.346 195 S CA -0.291 57.867 58.200 -0.070 0.000 1.018 195 S CB 0.134 63.274 63.200 -0.100 0.000 0.899 195 S HN 0.427 nan 8.310 nan 0.000 0.542 196 S N 1.720 117.388 115.700 -0.053 0.000 2.425 196 S HA -0.064 4.406 4.470 0.000 0.000 0.225 196 S C 1.476 176.064 174.600 -0.021 0.000 1.024 196 S CA 0.805 58.986 58.200 -0.031 0.000 0.951 196 S CB -0.191 62.993 63.200 -0.027 0.000 0.796 196 S HN 0.840 nan 8.310 nan 0.000 0.498 197 N N 0.183 118.867 118.700 -0.026 0.000 2.257 197 N HA 0.099 4.839 4.740 0.000 0.000 0.200 197 N C -0.347 175.180 175.510 0.029 0.000 1.163 197 N CA -0.014 53.061 53.050 0.041 0.000 0.891 197 N CB -0.294 38.267 38.487 0.124 0.000 1.067 197 N HN 0.067 nan 8.380 nan 0.000 0.497 198 N N 0.797 119.406 118.700 -0.151 0.000 2.476 198 N HA 0.414 5.154 4.740 0.000 0.000 0.257 198 N C 0.406 175.821 175.510 -0.158 0.000 0.970 198 N CA -0.159 52.700 53.050 -0.319 0.000 0.938 198 N CB 1.706 39.744 38.487 -0.747 0.000 1.144 198 N HN 0.183 nan 8.380 nan 0.000 0.500 199 A N 3.717 126.480 122.820 -0.094 0.000 2.076 199 A HA -0.126 4.194 4.320 0.000 0.000 0.220 199 A C 1.431 178.983 177.584 -0.053 0.000 1.160 199 A CA 1.191 53.194 52.037 -0.058 0.000 0.653 199 A CB -0.088 18.886 19.000 -0.043 0.000 0.801 199 A HN 0.721 nan 8.150 nan 0.000 0.455 200 N N -0.676 117.985 118.700 -0.065 0.000 2.299 200 N HA 0.018 4.758 4.740 0.000 0.000 0.187 200 N C 0.505 176.069 175.510 0.091 0.000 1.099 200 N CA 1.030 54.077 53.050 -0.004 0.000 0.867 200 N CB 0.416 38.867 38.487 -0.060 0.000 0.974 200 N HN 0.677 nan 8.380 nan 0.000 0.477 201 T N -2.567 112.004 114.554 0.028 0.000 2.940 201 T HA 0.836 5.186 4.350 0.000 0.000 0.288 201 T C 0.289 175.056 174.700 0.112 0.000 1.045 201 T CA -0.773 61.377 62.100 0.084 0.000 1.018 201 T CB 2.674 71.499 68.868 -0.072 0.000 1.151 201 T HN 0.035 nan 8.240 nan 0.000 0.529 202 G N -0.368 108.410 108.800 -0.037 0.000 2.619 202 G HA2 0.633 4.593 3.960 0.000 0.000 0.305 202 G HA3 0.633 4.593 3.960 0.000 0.000 0.305 202 G C -1.926 172.345 174.900 -1.048 0.000 1.330 202 G CA -0.994 43.718 45.100 -0.647 0.000 0.789 202 G HN 0.902 nan 8.290 nan 0.000 0.487 203 I N 0.730 120.548 120.570 -1.253 0.000 2.499 203 I HA 0.539 4.709 4.170 0.000 0.000 0.288 203 I C 0.653 176.362 176.117 -0.680 0.000 1.048 203 I CA -0.707 60.141 61.300 -0.754 0.000 1.062 203 I CB 2.126 39.953 38.000 -0.288 0.000 1.238 203 I HN 0.707 nan 8.210 nan 0.000 0.426 204 G N 2.776 111.393 108.800 -0.304 0.000 2.531 204 G HA2 0.444 4.404 3.960 0.000 0.000 0.313 204 G HA3 0.444 4.404 3.960 0.000 0.000 0.313 204 G C 0.874 175.768 174.900 -0.010 0.000 1.238 204 G CA -0.251 44.895 45.100 0.077 0.000 0.994 204 G HN 0.743 nan 8.290 nan 0.000 0.493 205 G N -1.919 106.851 108.800 -0.051 0.000 2.598 205 G HA2 0.139 4.099 3.960 0.000 0.000 0.215 205 G HA3 0.139 4.099 3.960 0.000 0.000 0.215 205 G C 0.529 175.431 174.900 0.004 0.000 1.131 205 G CA 0.332 45.379 45.100 -0.089 0.000 0.785 205 G HN 0.621 nan 8.290 nan 0.000 0.539 206 H N -1.841 117.235 119.070 0.010 0.000 2.731 206 H HA 0.584 5.140 4.556 0.000 0.000 0.368 206 H C 0.029 175.349 175.328 -0.012 0.000 1.168 206 H CA -0.744 55.300 56.048 -0.007 0.000 1.181 206 H CB 2.214 31.964 29.762 -0.019 0.000 1.743 206 H HN 0.179 nan 8.280 nan 0.000 0.547 207 G N -0.333 108.538 108.800 0.117 0.000 2.658 207 G HA2 0.403 4.363 3.960 0.000 0.000 0.292 207 G HA3 0.403 4.363 3.960 0.000 0.000 0.292 207 G C -1.307 173.600 174.900 0.012 0.000 1.320 207 G CA -0.621 44.505 45.100 0.044 0.000 0.933 207 G HN 0.454 nan 8.290 nan 0.000 0.476 208 S N -0.785 114.913 115.700 -0.003 0.000 2.733 208 S HA 0.488 4.958 4.470 0.000 0.000 0.307 208 S C -0.227 174.332 174.600 -0.068 0.000 1.127 208 S CA -0.641 57.538 58.200 -0.035 0.000 1.097 208 S CB -0.371 62.816 63.200 -0.021 0.000 1.003 208 S HN 0.732 nan 8.310 nan 0.000 0.477 209 c N 3.855 122.419 118.600 -0.059 0.000 2.364 209 c HA 0.948 5.519 4.570 0.000 0.000 0.356 209 c C 0.455 174.502 174.090 -0.071 0.000 1.201 209 c CA -0.700 55.592 56.329 -0.061 0.000 2.227 209 c CB -0.656 41.835 42.510 -0.031 0.000 2.387 209 c HN 1.072 nan 8.230 nan 0.000 0.546 210 c N 0.075 118.633 118.600 -0.069 0.000 3.068 210 c HA 0.504 5.074 4.570 0.000 0.000 0.344 210 c C -0.426 173.656 174.090 -0.014 0.000 1.223 210 c CA -0.725 55.573 56.329 -0.053 0.000 1.153 210 c CB -0.171 42.287 42.510 -0.086 0.000 1.396 210 c HN 0.849 nan 8.230 nan 0.000 0.485 211 S N 1.452 117.164 115.700 0.020 0.000 2.563 211 S HA 0.355 4.825 4.470 0.000 0.000 0.284 211 S C -0.362 174.332 174.600 0.157 0.000 1.331 211 S CA 0.248 58.515 58.200 0.112 0.000 1.047 211 S CB 0.369 63.584 63.200 0.024 0.000 0.859 211 S HN 0.904 nan 8.310 nan 0.000 0.514 212 Q N 1.547 121.549 119.800 0.336 0.000 2.271 212 Q HA 0.509 4.849 4.340 0.000 0.000 0.268 212 Q C -1.575 174.746 176.000 0.534 0.000 1.021 212 Q CA -0.663 55.337 55.803 0.328 0.000 0.802 212 Q CB 1.147 29.946 28.738 0.102 0.000 1.282 212 Q HN 0.578 nan 8.270 nan 0.000 0.431 213 M N 4.347 124.275 119.600 0.546 0.000 2.103 213 M HA 0.309 4.789 4.480 0.000 0.000 0.350 213 M C -1.443 175.137 176.300 0.467 0.000 1.100 213 M CA -0.203 55.446 55.300 0.582 0.000 1.042 213 M CB 0.702 33.674 32.600 0.620 0.000 1.368 213 M HN 0.422 nan 8.290 nan 0.000 0.404 214 D N 5.902 126.529 120.400 0.377 0.000 2.455 214 D HA 0.066 4.706 4.640 0.000 0.000 0.234 214 D C 1.273 177.793 176.300 0.368 0.000 1.224 214 D CA 0.107 54.303 54.000 0.328 0.000 0.999 214 D CB 0.470 41.418 40.800 0.246 0.000 1.072 214 D HN 0.578 nan 8.370 nan 0.000 0.514 215 I N 0.338 121.163 120.570 0.425 0.000 2.179 215 I HA -0.140 4.030 4.170 0.000 0.000 0.242 215 I C 1.029 177.502 176.117 0.593 0.000 1.088 215 I CA 1.196 62.777 61.300 0.469 0.000 1.357 215 I CB -0.149 38.111 38.000 0.434 0.000 1.051 215 I HN 0.438 nan 8.210 nan 0.000 0.409 216 W N 2.080 123.558 121.300 0.297 0.000 2.968 216 W HA 0.373 5.033 4.660 0.000 0.000 0.337 216 W C -1.266 175.449 176.519 0.327 0.000 1.060 216 W CA -0.504 57.047 57.345 0.344 0.000 1.240 216 W CB 1.733 31.488 29.460 0.491 0.000 1.370 216 W HN -0.028 nan 8.180 nan 0.000 0.459 217 E N 4.081 124.242 120.200 -0.065 0.000 2.283 217 E HA 0.654 5.004 4.350 0.000 0.000 0.258 217 E C -0.738 175.607 176.600 -0.425 0.000 0.893 217 E CA -0.330 56.051 56.400 -0.032 0.000 0.798 217 E CB 1.981 31.815 29.700 0.223 0.000 1.242 217 E HN 0.451 nan 8.360 nan 0.000 0.414 218 A N 3.213 125.760 122.820 -0.455 0.000 2.566 218 A HA 0.681 5.001 4.320 0.000 0.000 0.290 218 A C -1.504 175.946 177.584 -0.224 0.000 1.071 218 A CA -0.914 50.823 52.037 -0.500 0.000 0.658 218 A CB 1.444 19.839 19.000 -1.007 0.000 1.285 218 A HN 0.660 nan 8.150 nan 0.000 0.427 219 N N -1.652 116.957 118.700 -0.151 0.000 3.387 219 N HA 0.449 5.190 4.740 0.000 0.000 0.322 219 N C 0.551 176.045 175.510 -0.025 0.000 1.588 219 N CA 0.090 53.076 53.050 -0.107 0.000 0.778 219 N CB 0.423 38.778 38.487 -0.220 0.000 1.883 219 N HN 0.825 nan 8.380 nan 0.000 0.628 220 S N -1.222 114.406 115.700 -0.120 0.000 2.507 220 S HA 0.023 4.493 4.470 0.000 0.000 0.235 220 S C 1.079 175.494 174.600 -0.309 0.000 0.988 220 S CA 0.390 58.459 58.200 -0.218 0.000 0.944 220 S CB -0.520 62.551 63.200 -0.213 0.000 0.762 220 S HN 0.491 nan 8.310 nan 0.000 0.526 221 I N 0.529 120.982 120.570 -0.195 0.000 2.729 221 I HA 0.272 4.442 4.170 0.000 0.000 0.256 221 I C 0.697 176.784 176.117 -0.050 0.000 1.115 221 I CA 0.395 61.573 61.300 -0.204 0.000 1.446 221 I CB -1.091 36.773 38.000 -0.228 0.000 1.176 221 I HN 0.226 nan 8.210 nan 0.000 0.446 222 S N 0.255 115.942 115.700 -0.022 0.000 2.595 222 S HA 0.587 5.057 4.470 0.000 0.000 0.281 222 S C -0.883 173.566 174.600 -0.252 0.000 1.117 222 S CA -0.653 57.500 58.200 -0.078 0.000 0.873 222 S CB 2.910 65.958 63.200 -0.252 0.000 1.108 222 S HN 0.326 nan 8.310 nan 0.000 0.477 223 E N -0.192 119.732 120.200 -0.459 0.000 2.366 223 E HA 0.830 5.180 4.350 0.000 0.000 0.278 223 E C -1.235 175.172 176.600 -0.321 0.000 0.923 223 E CA -1.110 54.881 56.400 -0.683 0.000 0.761 223 E CB 1.564 30.483 29.700 -1.303 0.000 1.231 223 E HN 0.693 nan 8.360 nan 0.000 0.443 224 A N 1.856 124.544 122.820 -0.220 0.000 2.515 224 A HA 0.733 5.053 4.320 0.000 0.000 0.298 224 A C -1.866 175.800 177.584 0.136 0.000 1.059 224 A CA -0.895 51.170 52.037 0.046 0.000 0.698 224 A CB 1.554 20.634 19.000 0.134 0.000 1.289 224 A HN 0.660 nan 8.150 nan 0.000 0.404 225 L N 1.349 122.698 121.223 0.210 0.000 2.325 225 L HA 0.835 5.175 4.340 0.000 0.000 0.281 225 L C -0.845 176.128 176.870 0.171 0.000 1.004 225 L CA 0.344 55.313 54.840 0.215 0.000 0.823 225 L CB 1.787 43.942 42.059 0.160 0.000 1.236 225 L HN 0.619 nan 8.230 nan 0.000 0.415 226 T N 6.359 121.006 114.554 0.155 0.000 3.170 226 T HA 0.458 4.808 4.350 0.000 0.000 0.315 226 T C -2.964 171.722 174.700 -0.023 0.000 0.967 226 T CA -0.741 61.381 62.100 0.036 0.000 1.024 226 T CB 1.742 70.634 68.868 0.040 0.000 1.018 226 T HN 0.426 nan 8.240 nan 0.000 0.449 227 P HA 0.341 nan 4.420 nan 0.000 0.288 227 P C -1.052 176.024 177.300 -0.373 0.000 1.267 227 P CA -0.510 62.258 63.100 -0.553 0.000 0.815 227 P CB 0.873 32.022 31.700 -0.920 0.000 0.989 228 H N 3.535 122.504 119.070 -0.169 0.000 2.860 228 H HA 0.308 4.864 4.556 0.000 0.000 0.312 228 H C -2.201 173.303 175.328 0.292 0.000 0.995 228 H CA -1.705 54.422 56.048 0.131 0.000 1.311 228 H CB 2.234 32.068 29.762 0.120 0.000 1.478 228 H HN 0.357 nan 8.280 nan 0.000 0.508 229 P HA 0.264 nan 4.420 nan 0.000 0.282 229 P C -0.424 176.974 177.300 0.163 0.000 1.259 229 P CA -0.398 62.878 63.100 0.294 0.000 0.826 229 P CB 1.564 33.302 31.700 0.063 0.000 1.064 230 c N 0.170 118.836 118.600 0.109 0.000 2.797 230 c HA 0.323 4.893 4.570 0.000 0.000 0.306 230 c C 2.073 176.178 174.090 0.026 0.000 1.207 230 c CA -0.038 56.327 56.329 0.060 0.000 1.507 230 c CB 1.283 43.823 42.510 0.050 0.000 2.028 230 c HN 0.716 nan 8.230 nan 0.000 0.475 231 T N -1.353 113.209 114.554 0.014 0.000 2.881 231 T HA -0.070 4.280 4.350 0.000 0.000 0.270 231 T C 0.644 175.342 174.700 -0.003 0.000 1.068 231 T CA 1.461 63.561 62.100 0.001 0.000 1.131 231 T CB -0.349 68.520 68.868 0.002 0.000 0.871 231 T HN 0.688 nan 8.240 nan 0.000 0.479 232 T N 1.744 116.297 114.554 -0.001 0.000 2.772 232 T HA 0.499 4.849 4.350 0.000 0.000 0.288 232 T C 1.271 175.964 174.700 -0.011 0.000 0.994 232 T CA -0.638 61.458 62.100 -0.008 0.000 0.951 232 T CB 1.872 70.736 68.868 -0.007 0.000 0.933 232 T HN -0.034 nan 8.240 nan 0.000 0.447 233 V N 3.143 123.043 119.914 -0.022 0.000 2.233 233 V HA -0.026 4.094 4.120 0.000 0.000 0.247 233 V C 1.910 177.981 176.094 -0.039 0.000 1.050 233 V CA 2.043 64.321 62.300 -0.037 0.000 1.010 233 V CB -0.949 30.839 31.823 -0.058 0.000 0.637 233 V HN 0.923 nan 8.190 nan 0.000 0.444 234 G N -1.407 107.372 108.800 -0.036 0.000 2.525 234 G HA2 0.293 4.253 3.960 0.000 0.000 0.287 234 G HA3 0.293 4.253 3.960 0.000 0.000 0.287 234 G C -0.365 174.517 174.900 -0.030 0.000 1.350 234 G CA -0.308 44.770 45.100 -0.036 0.000 1.039 234 G HN 0.202 nan 8.290 nan 0.000 0.513 235 Q N 0.275 120.058 119.800 -0.029 0.000 2.263 235 Q HA 0.085 4.425 4.340 0.000 0.000 0.289 235 Q C -0.527 175.473 176.000 0.001 0.000 1.061 235 Q CA 0.782 56.570 55.803 -0.025 0.000 0.927 235 Q CB 0.486 29.217 28.738 -0.012 0.000 1.154 235 Q HN 0.634 nan 8.270 nan 0.000 0.378 236 E N 4.449 124.639 120.200 -0.016 0.000 2.321 236 E HA 0.296 4.646 4.350 0.000 0.000 0.281 236 E C -1.163 175.413 176.600 -0.041 0.000 0.910 236 E CA -0.549 55.844 56.400 -0.011 0.000 0.770 236 E CB 1.410 31.104 29.700 -0.009 0.000 1.225 236 E HN 0.738 nan 8.360 nan 0.000 0.417 237 I N 3.746 124.275 120.570 -0.068 0.000 2.779 237 I HA 0.237 4.407 4.170 0.000 0.000 0.285 237 I C -0.176 175.885 176.117 -0.095 0.000 1.134 237 I CA -0.161 61.070 61.300 -0.116 0.000 1.398 237 I CB 0.248 38.114 38.000 -0.224 0.000 1.404 237 I HN 0.765 nan 8.210 nan 0.000 0.587 238 c N 4.906 123.458 118.600 -0.080 0.000 2.889 238 c HA 0.657 5.227 4.570 0.000 0.000 0.307 238 c C -0.913 173.170 174.090 -0.011 0.000 1.251 238 c CA -0.880 55.425 56.329 -0.040 0.000 1.593 238 c CB 1.640 44.144 42.510 -0.010 0.000 2.104 238 c HN 0.673 nan 8.230 nan 0.000 0.476 239 E N 1.191 121.402 120.200 0.019 0.000 2.133 239 E HA 0.508 4.858 4.350 0.000 0.000 0.274 239 E C 1.020 177.662 176.600 0.071 0.000 0.930 239 E CA 0.843 57.292 56.400 0.082 0.000 0.770 239 E CB 1.402 31.137 29.700 0.058 0.000 1.104 239 E HN 1.421 nan 8.360 nan 0.000 0.403 240 G N 4.955 113.807 108.800 0.088 0.000 2.661 240 G HA2 -0.400 3.560 3.960 0.000 0.000 0.327 240 G HA3 -0.400 3.560 3.960 0.000 0.000 0.327 240 G C 0.680 175.599 174.900 0.031 0.000 1.320 240 G CA 0.681 45.810 45.100 0.048 0.000 0.997 240 G HN 0.591 nan 8.290 nan 0.000 0.543 241 D N 1.286 121.699 120.400 0.022 0.000 2.350 241 D HA 0.016 4.657 4.640 0.000 0.000 0.216 241 D C 2.402 178.711 176.300 0.015 0.000 0.968 241 D CA 1.414 55.422 54.000 0.014 0.000 0.894 241 D CB -0.835 39.972 40.800 0.012 0.000 0.909 241 D HN 0.612 nan 8.370 nan 0.000 0.520 242 G N -0.103 108.709 108.800 0.020 0.000 2.679 242 G HA2 -0.182 3.778 3.960 0.000 0.000 0.212 242 G HA3 -0.182 3.778 3.960 0.000 0.000 0.212 242 G C 1.721 176.631 174.900 0.017 0.000 1.137 242 G CA 0.208 45.320 45.100 0.020 0.000 0.787 242 G HN 0.302 nan 8.290 nan 0.000 0.534 243 c N -0.389 118.221 118.600 0.016 0.000 2.450 243 c HA 0.420 4.990 4.570 0.000 0.000 0.279 243 c C 2.134 176.224 174.090 0.001 0.000 1.335 243 c CA 0.438 56.774 56.329 0.012 0.000 1.749 243 c CB -1.110 41.413 42.510 0.021 0.000 1.963 243 c HN 0.862 nan 8.230 nan 0.000 0.501 244 G N -0.326 108.468 108.800 -0.011 0.000 2.598 244 G HA2 0.327 4.287 3.960 0.000 0.000 0.244 244 G HA3 0.327 4.287 3.960 0.000 0.000 0.244 244 G C 0.288 175.143 174.900 -0.075 0.000 1.302 244 G CA -0.269 44.804 45.100 -0.045 0.000 0.903 244 G HN 1.962 nan 8.290 nan 0.000 0.575 245 G N -3.546 105.175 108.800 -0.133 0.000 2.782 245 G HA2 0.161 4.121 3.960 0.000 0.000 0.228 245 G HA3 0.161 4.121 3.960 0.000 0.000 0.228 245 G C 1.006 175.752 174.900 -0.257 0.000 1.372 245 G CA 0.861 45.858 45.100 -0.171 0.000 0.862 245 G HN 2.060 nan 8.290 nan 0.000 0.547 246 T N -0.013 114.307 114.554 -0.389 0.000 2.759 246 T HA -0.154 4.196 4.350 0.000 0.000 0.269 246 T C 1.918 176.143 174.700 -0.792 0.000 1.042 246 T CA 2.726 64.442 62.100 -0.640 0.000 1.140 246 T CB -0.255 68.054 68.868 -0.932 0.000 0.864 246 T HN 0.467 nan 8.240 nan 0.000 0.455 247 Y N 1.433 121.513 120.300 -0.367 0.000 2.529 247 Y HA 0.298 4.848 4.550 0.000 0.000 0.290 247 Y C 1.269 177.074 175.900 -0.158 0.000 1.177 247 Y CA -0.334 57.583 58.100 -0.305 0.000 1.305 247 Y CB -0.048 38.267 38.460 -0.242 0.000 1.047 247 Y HN 0.050 nan 8.280 nan 0.000 0.522 248 S N -0.756 114.910 115.700 -0.058 0.000 2.648 248 S HA 0.141 4.611 4.470 0.000 0.000 0.305 248 S C 0.248 174.821 174.600 -0.045 0.000 1.094 248 S CA -0.762 57.420 58.200 -0.029 0.000 0.983 248 S CB 1.662 64.844 63.200 -0.030 0.000 1.101 248 S HN 0.093 nan 8.310 nan 0.000 0.514 249 D N 1.282 121.671 120.400 -0.018 0.000 2.117 249 D HA -0.020 4.620 4.640 0.000 0.000 0.198 249 D C 0.411 176.691 176.300 -0.033 0.000 0.982 249 D CA 1.154 55.147 54.000 -0.012 0.000 0.828 249 D CB 0.084 40.887 40.800 0.005 0.000 0.967 249 D HN 0.355 nan 8.370 nan 0.000 0.464 250 N N 0.043 118.721 118.700 -0.037 0.000 2.457 250 N HA 0.061 4.801 4.740 0.000 0.000 0.250 250 N C 0.520 175.958 175.510 -0.119 0.000 0.982 250 N CA -0.340 52.682 53.050 -0.047 0.000 0.941 250 N CB 0.636 39.126 38.487 0.005 0.000 1.120 250 N HN 0.035 nan 8.380 nan 0.000 0.505 251 R N 2.520 122.855 120.500 -0.274 0.000 2.276 251 R HA 0.000 4.340 4.340 0.000 0.000 0.203 251 R C -0.105 175.919 176.300 -0.461 0.000 1.017 251 R CA 1.064 56.911 56.100 -0.421 0.000 1.010 251 R CB -0.176 29.778 30.300 -0.576 0.000 0.900 251 R HN 0.450 nan 8.270 nan 0.000 0.469 252 Y N 0.169 120.474 120.300 0.008 0.000 2.467 252 Y HA 0.377 4.928 4.550 0.000 0.000 0.250 252 Y C 1.787 177.694 175.900 0.012 0.000 1.155 252 Y CA -0.347 57.761 58.100 0.014 0.000 1.249 252 Y CB 0.697 39.167 38.460 0.017 0.000 1.146 252 Y HN 0.162 nan 8.280 nan 0.000 0.524 253 G N 0.155 109.017 108.800 0.104 0.000 3.424 253 G HA2 0.398 4.358 3.960 0.000 0.000 0.263 253 G HA3 0.398 4.358 3.960 0.000 0.000 0.263 253 G C 0.569 175.500 174.900 0.050 0.000 1.310 253 G CA 0.435 45.579 45.100 0.074 0.000 1.089 253 G HN 0.399 nan 8.290 nan 0.000 0.534 254 G N -1.032 107.802 108.800 0.057 0.000 3.211 254 G HA2 0.444 4.404 3.960 0.000 0.000 0.262 254 G HA3 0.444 4.404 3.960 0.000 0.000 0.262 254 G C 0.955 175.881 174.900 0.043 0.000 1.352 254 G CA 0.467 45.590 45.100 0.038 0.000 1.004 254 G HN 0.195 nan 8.290 nan 0.000 0.559 255 T N -3.424 111.147 114.554 0.030 0.000 3.067 255 T HA 0.125 4.475 4.350 0.000 0.000 0.257 255 T C 0.762 175.484 174.700 0.037 0.000 1.105 255 T CA 0.219 62.335 62.100 0.027 0.000 1.104 255 T CB -0.421 68.454 68.868 0.013 0.000 0.925 255 T HN 0.330 nan 8.240 nan 0.000 0.498 256 c N 2.074 120.702 118.600 0.046 0.000 2.399 256 c HA 0.678 5.248 4.570 0.000 0.000 0.348 256 c C -0.028 174.128 174.090 0.109 0.000 1.183 256 c CA -1.017 55.353 56.329 0.068 0.000 2.023 256 c CB 1.297 43.835 42.510 0.046 0.000 2.361 256 c HN 0.582 nan 8.230 nan 0.000 0.521 257 D N 1.763 122.257 120.400 0.158 0.000 2.396 257 D HA 0.286 4.926 4.640 0.000 0.000 0.225 257 D C -1.329 175.151 176.300 0.301 0.000 1.121 257 D CA -1.787 52.347 54.000 0.224 0.000 0.853 257 D CB 1.076 42.008 40.800 0.220 0.000 1.043 257 D HN 0.242 nan 8.370 nan 0.000 0.500 258 P HA -0.008 nan 4.420 nan 0.000 0.231 258 P C 0.086 177.515 177.300 0.215 0.000 1.168 258 P CA 0.536 63.709 63.100 0.122 0.000 0.779 258 P CB 0.760 32.428 31.700 -0.052 0.000 0.844 259 D N -0.195 120.357 120.400 0.255 0.000 2.290 259 D HA 0.168 4.808 4.640 0.000 0.000 0.224 259 D C 1.387 177.659 176.300 -0.046 0.000 0.967 259 D CA 1.356 55.450 54.000 0.157 0.000 0.893 259 D CB -0.545 40.368 40.800 0.189 0.000 1.037 259 D HN 0.163 nan 8.370 nan 0.000 0.477 260 G N 0.086 108.811 108.800 -0.126 0.000 2.829 260 G HA2 -0.241 3.719 3.960 0.000 0.000 0.628 260 G HA3 -0.241 3.719 3.960 0.000 0.000 0.628 260 G C -0.139 174.530 174.900 -0.385 0.000 1.412 260 G CA -0.366 44.472 45.100 -0.437 0.000 0.864 260 G HN 0.494 nan 8.290 nan 0.000 0.544 261 c N 2.644 120.819 118.600 -0.707 0.000 2.116 261 c HA 0.561 5.131 4.570 0.000 0.000 0.367 261 c C 0.634 174.566 174.090 -0.264 0.000 1.039 261 c CA -0.460 55.396 56.329 -0.788 0.000 1.465 261 c CB -2.065 39.530 42.510 -1.525 0.000 1.783 261 c HN 0.815 nan 8.230 nan 0.000 0.470 262 D N 2.991 123.338 120.400 -0.087 0.000 2.304 262 D HA 0.098 4.739 4.640 0.000 0.000 0.247 262 D C -0.539 175.907 176.300 0.244 0.000 1.089 262 D CA -0.220 53.831 54.000 0.086 0.000 0.910 262 D CB 0.998 41.866 40.800 0.113 0.000 1.199 262 D HN 0.703 nan 8.370 nan 0.000 0.426 263 W N 3.089 124.414 121.300 0.042 0.000 2.521 263 W HA 0.248 4.908 4.660 0.000 0.000 0.310 263 W C -1.526 175.016 176.519 0.038 0.000 1.000 263 W CA -0.825 56.514 57.345 -0.010 0.000 1.353 263 W CB 0.830 30.166 29.460 -0.206 0.000 1.276 263 W HN 0.385 nan 8.180 nan 0.000 0.417 264 N N 7.436 126.263 118.700 0.212 0.000 2.483 264 N HA 0.319 5.059 4.740 0.000 0.000 0.267 264 N C -1.954 173.669 175.510 0.188 0.000 0.998 264 N CA -2.011 51.163 53.050 0.207 0.000 0.918 264 N CB 2.435 41.004 38.487 0.137 0.000 1.215 264 N HN 0.003 nan 8.380 nan 0.000 0.500 265 P HA -0.169 nan 4.420 nan 0.000 0.216 265 P C 0.887 178.313 177.300 0.210 0.000 1.154 265 P CA 1.244 64.494 63.100 0.250 0.000 0.865 265 P CB 0.045 31.921 31.700 0.293 0.000 0.789 266 Y N 0.284 120.660 120.300 0.128 0.000 2.145 266 Y HA -0.163 4.387 4.550 0.000 0.000 0.286 266 Y C 2.669 178.607 175.900 0.063 0.000 1.145 266 Y CA 1.549 59.713 58.100 0.107 0.000 1.148 266 Y CB -0.550 37.967 38.460 0.095 0.000 0.981 266 Y HN -0.266 nan 8.280 nan 0.000 0.507 267 R N 0.030 120.715 120.500 0.309 0.000 2.120 267 R HA -0.132 4.208 4.340 0.000 0.000 0.234 267 R C 1.742 178.136 176.300 0.157 0.000 1.123 267 R CA 1.533 57.746 56.100 0.188 0.000 0.975 267 R CB -0.388 29.990 30.300 0.130 0.000 0.866 267 R HN 0.423 nan 8.270 nan 0.000 0.446 268 L N -1.001 120.288 121.223 0.110 0.000 2.599 268 L HA 0.163 4.503 4.340 0.000 0.000 0.230 268 L C 1.285 178.183 176.870 0.048 0.000 1.141 268 L CA 0.661 55.539 54.840 0.063 0.000 0.877 268 L CB 0.476 42.441 42.059 -0.157 0.000 1.009 268 L HN 0.626 nan 8.230 nan 0.000 0.447 269 G N -0.444 108.371 108.800 0.025 0.000 2.284 269 G HA2 -0.243 3.717 3.960 0.000 0.000 0.201 269 G HA3 -0.243 3.717 3.960 0.000 0.000 0.201 269 G C 0.245 175.102 174.900 -0.072 0.000 0.998 269 G CA -0.417 44.668 45.100 -0.024 0.000 0.651 269 G HN 0.252 nan 8.290 nan 0.000 0.489 270 N N 2.045 120.723 118.700 -0.036 0.000 2.602 270 N HA 0.349 5.089 4.740 0.000 0.000 0.238 270 N C 1.544 177.018 175.510 -0.059 0.000 1.084 270 N CA 0.751 53.793 53.050 -0.014 0.000 0.952 270 N CB 0.851 39.370 38.487 0.053 0.000 1.244 270 N HN 0.415 nan 8.380 nan 0.000 0.512 271 T N -1.385 113.026 114.554 -0.239 0.000 3.129 271 T HA 0.099 4.449 4.350 0.000 0.000 0.251 271 T C 0.904 175.623 174.700 0.032 0.000 1.117 271 T CA 0.166 62.002 62.100 -0.440 0.000 1.034 271 T CB 0.061 68.508 68.868 -0.702 0.000 0.968 271 T HN 0.172 nan 8.240 nan 0.000 0.526 272 S N -0.219 115.532 115.700 0.085 0.000 2.559 272 S HA 0.340 4.811 4.470 0.000 0.000 0.226 272 S C 0.631 175.400 174.600 0.281 0.000 1.000 272 S CA -0.714 57.531 58.200 0.075 0.000 0.948 272 S CB -0.222 62.937 63.200 -0.068 0.000 0.870 272 S HN 0.499 nan 8.310 nan 0.000 0.497 273 F N 1.581 121.647 119.950 0.194 0.000 2.187 273 F HA 0.286 4.813 4.527 0.000 0.000 0.295 273 F C 0.304 176.219 175.800 0.191 0.000 1.091 273 F CA 0.384 58.460 58.000 0.126 0.000 1.308 273 F CB 0.164 39.208 39.000 0.073 0.000 1.030 273 F HN 0.217 nan 8.300 nan 0.000 0.487 274 Y N 0.654 120.954 120.300 0.000 0.000 2.329 274 Y HA 0.576 5.126 4.550 0.000 0.000 0.328 274 Y C -0.296 175.283 175.900 -0.536 0.000 0.992 274 Y CA -0.344 57.576 58.100 -0.299 0.000 1.151 274 Y CB 1.111 39.474 38.460 -0.162 0.000 1.150 274 Y HN 0.193 nan 8.280 nan 0.000 0.450 275 G N 5.382 113.409 108.800 -1.290 0.000 2.356 275 G HA2 0.299 4.259 3.960 0.000 0.000 0.294 275 G HA3 0.299 4.259 3.960 0.000 0.000 0.294 275 G C -3.532 170.586 174.900 -1.304 0.000 1.423 275 G CA -1.308 42.587 45.100 -2.007 0.000 0.806 275 G HN 0.294 nan 8.290 nan 0.000 0.527 276 P HA 0.496 nan 4.420 nan 0.000 0.282 276 P C 0.599 177.901 177.300 0.003 0.000 1.274 276 P CA 1.251 64.170 63.100 -0.302 0.000 0.770 276 P CB 1.091 32.664 31.700 -0.213 0.000 0.867 277 G N 2.990 111.798 108.800 0.014 0.000 2.603 277 G HA2 -0.144 3.816 3.960 0.000 0.000 0.686 277 G HA3 -0.144 3.816 3.960 0.000 0.000 0.686 277 G C 0.668 175.638 174.900 0.117 0.000 1.286 277 G CA -0.020 45.130 45.100 0.083 0.000 0.871 277 G HN 0.503 nan 8.290 nan 0.000 0.568 278 S N -1.206 114.529 115.700 0.058 0.000 2.603 278 S HA 0.120 4.590 4.470 0.000 0.000 0.229 278 S C 2.178 176.777 174.600 -0.002 0.000 0.972 278 S CA 1.579 59.797 58.200 0.029 0.000 0.935 278 S CB -0.077 63.129 63.200 0.010 0.000 0.769 278 S HN 2.176 nan 8.310 nan 0.000 0.536 279 S N -0.129 115.552 115.700 -0.031 0.000 2.593 279 S HA 0.331 4.801 4.470 0.000 0.000 0.217 279 S C -0.030 174.333 174.600 -0.396 0.000 0.966 279 S CA -0.697 57.370 58.200 -0.221 0.000 0.914 279 S CB -0.594 62.410 63.200 -0.326 0.000 0.776 279 S HN 0.413 nan 8.310 nan 0.000 0.523 280 F N 0.856 120.749 119.950 -0.095 0.000 2.507 280 F HA 0.467 4.994 4.527 0.000 0.000 0.327 280 F C 1.781 177.458 175.800 -0.205 0.000 1.068 280 F CA -0.956 56.962 58.000 -0.136 0.000 0.965 280 F CB 1.203 40.098 39.000 -0.175 0.000 1.192 280 F HN -0.149 nan 8.300 nan 0.000 0.476 281 T N 1.225 115.725 114.554 -0.091 0.000 2.684 281 T HA -0.061 4.289 4.350 0.000 0.000 0.267 281 T C 0.650 175.035 174.700 -0.525 0.000 1.036 281 T CA 1.176 63.066 62.100 -0.351 0.000 1.148 281 T CB -0.168 68.441 68.868 -0.431 0.000 0.863 281 T HN 0.208 nan 8.240 nan 0.000 0.436 282 L N 2.187 123.059 121.223 -0.585 0.000 2.294 282 L HA 0.372 4.712 4.340 0.000 0.000 0.283 282 L C -0.566 176.105 176.870 -0.330 0.000 1.015 282 L CA -0.868 53.685 54.840 -0.477 0.000 0.831 282 L CB 1.347 43.031 42.059 -0.624 0.000 1.217 282 L HN 0.028 nan 8.230 nan 0.000 0.420 283 D N 2.074 122.353 120.400 -0.201 0.000 2.352 283 D HA 0.020 4.660 4.640 0.000 0.000 0.245 283 D C 1.294 177.451 176.300 -0.238 0.000 1.224 283 D CA -0.205 53.693 54.000 -0.171 0.000 0.879 283 D CB 1.379 42.137 40.800 -0.069 0.000 1.057 283 D HN 0.608 nan 8.370 nan 0.000 0.491 284 T N -0.376 113.944 114.554 -0.390 0.000 3.163 284 T HA -0.119 4.231 4.350 0.000 0.000 0.260 284 T C 1.509 176.083 174.700 -0.211 0.000 1.156 284 T CA 0.989 62.862 62.100 -0.377 0.000 1.072 284 T CB -0.428 68.066 68.868 -0.623 0.000 0.937 284 T HN 0.383 nan 8.240 nan 0.000 0.528 285 T N -1.593 112.866 114.554 -0.158 0.000 3.100 285 T HA 0.269 4.619 4.350 0.000 0.000 0.253 285 T C 0.501 175.161 174.700 -0.066 0.000 1.118 285 T CA -0.188 61.852 62.100 -0.099 0.000 1.058 285 T CB -0.120 68.704 68.868 -0.074 0.000 0.953 285 T HN 0.401 nan 8.240 nan 0.000 0.515 286 K N 0.793 121.153 120.400 -0.066 0.000 2.328 286 K HA 0.494 4.814 4.320 0.000 0.000 0.246 286 K C -0.651 175.934 176.600 -0.025 0.000 0.955 286 K CA -0.981 55.285 56.287 -0.035 0.000 0.817 286 K CB 2.242 34.729 32.500 -0.023 0.000 1.208 286 K HN 0.003 nan 8.250 nan 0.000 0.432 287 K N 2.532 122.928 120.400 -0.008 0.000 2.414 287 K HA 0.172 4.492 4.320 0.000 0.000 0.272 287 K C -0.637 175.967 176.600 0.006 0.000 0.993 287 K CA -0.106 56.182 56.287 0.002 0.000 0.964 287 K CB 0.268 32.773 32.500 0.007 0.000 0.925 287 K HN 0.546 nan 8.250 nan 0.000 0.487 288 L N -0.421 120.802 121.223 0.000 0.000 2.376 288 L HA 0.596 4.936 4.340 0.000 0.000 0.258 288 L C -0.926 175.894 176.870 -0.083 0.000 1.013 288 L CA -0.986 53.858 54.840 0.006 0.000 0.822 288 L CB 2.254 44.350 42.059 0.062 0.000 1.388 288 L HN 0.381 nan 8.230 nan 0.000 0.413 289 T N 1.257 115.769 114.554 -0.071 0.000 2.794 289 T HA 0.645 4.995 4.350 0.000 0.000 0.280 289 T C -0.455 174.068 174.700 -0.294 0.000 0.987 289 T CA -0.413 61.565 62.100 -0.204 0.000 0.993 289 T CB 1.753 70.559 68.868 -0.103 0.000 0.939 289 T HN 0.442 nan 8.240 nan 0.000 0.449 290 V N 3.961 123.482 119.914 -0.655 0.000 2.444 290 V HA 0.492 4.612 4.120 0.000 0.000 0.294 290 V C -0.365 175.350 176.094 -0.632 0.000 1.022 290 V CA -0.765 61.098 62.300 -0.729 0.000 0.850 290 V CB 1.711 32.880 31.823 -1.090 0.000 0.992 290 V HN 0.703 nan 8.190 nan 0.000 0.426 291 V N 3.762 123.276 119.914 -0.666 0.000 2.495 291 V HA 0.623 4.743 4.120 0.000 0.000 0.298 291 V C 0.039 175.875 176.094 -0.430 0.000 1.031 291 V CA -0.281 61.660 62.300 -0.597 0.000 0.871 291 V CB 2.174 33.311 31.823 -1.145 0.000 0.988 291 V HN 0.925 nan 8.190 nan 0.000 0.432 292 T N 4.990 119.467 114.554 -0.128 0.000 2.840 292 T HA 0.507 4.857 4.350 0.000 0.000 0.287 292 T C -0.665 173.957 174.700 -0.129 0.000 0.991 292 T CA -0.583 61.437 62.100 -0.133 0.000 0.964 292 T CB 1.333 70.227 68.868 0.044 0.000 0.954 292 T HN 0.689 nan 8.240 nan 0.000 0.438 293 Q N 1.949 121.577 119.800 -0.288 0.000 2.316 293 Q HA 0.523 4.863 4.340 0.000 0.000 0.264 293 Q C -1.173 174.592 176.000 -0.392 0.000 0.987 293 Q CA -0.685 55.017 55.803 -0.167 0.000 0.852 293 Q CB 1.718 30.433 28.738 -0.039 0.000 1.287 293 Q HN 0.579 nan 8.270 nan 0.000 0.448 294 F N 2.036 122.026 119.950 0.067 0.000 2.310 294 F HA 0.165 4.693 4.527 0.000 0.000 0.365 294 F C 0.583 176.419 175.800 0.061 0.000 1.080 294 F CA -0.956 57.089 58.000 0.075 0.000 1.187 294 F CB 0.550 39.600 39.000 0.082 0.000 1.465 294 F HN 0.464 nan 8.300 nan 0.000 0.496 295 E N -0.842 119.437 120.200 0.132 0.000 2.404 295 E HA 0.079 4.429 4.350 0.000 0.000 0.261 295 E C 0.970 177.645 176.600 0.124 0.000 1.074 295 E CA 0.177 56.641 56.400 0.106 0.000 0.917 295 E CB 0.892 30.629 29.700 0.063 0.000 0.965 295 E HN 0.570 nan 8.360 nan 0.000 0.433 296 T N -0.639 113.972 114.554 0.095 0.000 2.946 296 T HA -0.225 4.125 4.350 0.000 0.000 0.271 296 T C 1.794 176.545 174.700 0.085 0.000 1.104 296 T CA 1.212 63.364 62.100 0.086 0.000 1.114 296 T CB -0.520 68.385 68.868 0.062 0.000 0.867 296 T HN 0.537 nan 8.240 nan 0.000 0.513 297 S N 0.811 116.562 115.700 0.086 0.000 2.481 297 S HA 0.307 4.777 4.470 0.000 0.000 0.231 297 S C 2.054 176.720 174.600 0.110 0.000 0.996 297 S CA 0.763 59.014 58.200 0.085 0.000 0.942 297 S CB -0.776 62.471 63.200 0.079 0.000 0.768 297 S HN 1.281 nan 8.310 nan 0.000 0.520 298 G N 0.328 109.212 108.800 0.139 0.000 2.201 298 G HA2 0.005 3.965 3.960 0.000 0.000 0.212 298 G HA3 0.005 3.965 3.960 0.000 0.000 0.212 298 G C 0.225 175.251 174.900 0.210 0.000 0.994 298 G CA -0.079 45.133 45.100 0.188 0.000 0.644 298 G HN 1.204 nan 8.290 nan 0.000 0.508 299 A N -0.026 122.884 122.820 0.149 0.000 2.304 299 A HA 0.795 5.115 4.320 0.000 0.000 0.271 299 A C 0.157 177.769 177.584 0.047 0.000 1.091 299 A CA 0.045 52.148 52.037 0.110 0.000 0.812 299 A CB 0.422 19.473 19.000 0.085 0.000 1.056 299 A HN 0.812 nan 8.150 nan 0.000 0.489 300 I N 1.782 122.328 120.570 -0.041 0.000 2.436 300 I HA 0.287 4.457 4.170 0.000 0.000 0.289 300 I C -0.445 175.518 176.117 -0.256 0.000 1.010 300 I CA -0.579 60.589 61.300 -0.220 0.000 1.098 300 I CB 1.784 39.626 38.000 -0.263 0.000 1.266 300 I HN 0.598 nan 8.210 nan 0.000 0.434 301 N N 4.777 123.313 118.700 -0.274 0.000 2.404 301 N HA 0.656 5.396 4.740 0.000 0.000 0.297 301 N C -0.895 174.464 175.510 -0.253 0.000 1.163 301 N CA -0.796 52.120 53.050 -0.224 0.000 0.864 301 N CB 2.524 40.945 38.487 -0.110 0.000 1.247 301 N HN 0.456 nan 8.380 nan 0.000 0.510 302 R N 0.833 121.200 120.500 -0.223 0.000 2.566 302 R HA 0.396 4.736 4.340 0.000 0.000 0.271 302 R C -1.989 174.223 176.300 -0.146 0.000 1.071 302 R CA -0.683 55.255 56.100 -0.270 0.000 0.915 302 R CB 0.508 30.591 30.300 -0.362 0.000 1.228 302 R HN 0.624 nan 8.270 nan 0.000 0.449 303 Y N 0.747 120.843 120.300 -0.340 0.000 2.597 303 Y HA 0.745 5.295 4.550 0.000 0.000 0.340 303 Y C -1.854 173.847 175.900 -0.332 0.000 1.097 303 Y CA -1.278 56.710 58.100 -0.187 0.000 1.037 303 Y CB 1.262 39.701 38.460 -0.036 0.000 1.305 303 Y HN 0.478 nan 8.280 nan 0.000 0.463 304 Y N 0.532 121.050 120.300 0.362 0.000 2.570 304 Y HA 0.786 5.336 4.550 0.000 0.000 0.345 304 Y C -0.962 175.139 175.900 0.336 0.000 1.014 304 Y CA -1.591 56.661 58.100 0.253 0.000 1.063 304 Y CB 2.361 41.031 38.460 0.350 0.000 1.272 304 Y HN 0.576 nan 8.280 nan 0.000 0.477 305 V N 1.758 121.887 119.914 0.358 0.000 2.686 305 V HA 0.510 4.630 4.120 0.000 0.000 0.306 305 V C -1.091 175.129 176.094 0.211 0.000 1.065 305 V CA -0.852 61.602 62.300 0.257 0.000 0.894 305 V CB 1.810 33.731 31.823 0.164 0.000 1.004 305 V HN 0.784 nan 8.190 nan 0.000 0.424 306 Q N 3.433 123.369 119.800 0.228 0.000 2.268 306 Q HA 0.418 4.758 4.340 0.000 0.000 0.266 306 Q C -0.312 175.771 176.000 0.138 0.000 1.006 306 Q CA -0.510 55.396 55.803 0.171 0.000 0.824 306 Q CB 1.376 30.224 28.738 0.183 0.000 1.306 306 Q HN 0.778 nan 8.270 nan 0.000 0.424 307 N N 2.548 121.297 118.700 0.082 0.000 2.725 307 N HA -0.241 4.499 4.740 0.000 0.000 0.249 307 N C 0.490 176.026 175.510 0.044 0.000 1.103 307 N CA 1.624 54.709 53.050 0.059 0.000 0.707 307 N CB -1.308 37.218 38.487 0.066 0.000 1.043 307 N HN 1.115 nan 8.380 nan 0.000 0.553 308 G N -2.649 106.173 108.800 0.037 0.000 2.179 308 G HA2 -0.335 3.625 3.960 0.000 0.000 0.260 308 G HA3 -0.335 3.625 3.960 0.000 0.000 0.260 308 G C 0.030 174.912 174.900 -0.029 0.000 0.977 308 G CA 0.403 45.509 45.100 0.010 0.000 0.641 308 G HN 0.509 nan 8.290 nan 0.000 0.533 309 V N 1.746 121.635 119.914 -0.043 0.000 2.407 309 V HA 0.607 4.727 4.120 0.000 0.000 0.278 309 V C 0.649 176.517 176.094 -0.377 0.000 1.037 309 V CA 0.008 62.176 62.300 -0.221 0.000 0.900 309 V CB 1.555 33.252 31.823 -0.210 0.000 0.983 309 V HN 0.267 nan 8.190 nan 0.000 0.459 310 T N 5.756 120.039 114.554 -0.452 0.000 2.837 310 T HA 0.699 5.049 4.350 0.000 0.000 0.285 310 T C -0.762 173.622 174.700 -0.528 0.000 0.984 310 T CA 0.049 61.969 62.100 -0.299 0.000 1.049 310 T CB 0.493 69.264 68.868 -0.161 0.000 0.947 310 T HN 0.363 nan 8.240 nan 0.000 0.472 311 F N 1.562 121.683 119.950 0.285 0.000 2.562 311 F HA 0.439 4.966 4.527 0.000 0.000 0.319 311 F C 0.241 176.283 175.800 0.403 0.000 1.154 311 F CA -1.239 56.961 58.000 0.333 0.000 0.931 311 F CB 1.882 41.161 39.000 0.465 0.000 1.198 311 F HN 0.346 nan 8.300 nan 0.000 0.444 312 Q N 1.434 121.466 119.800 0.387 0.000 2.443 312 Q HA 0.219 4.560 4.340 0.000 0.000 0.232 312 Q C -0.235 175.933 176.000 0.281 0.000 1.026 312 Q CA -0.372 55.594 55.803 0.273 0.000 0.924 312 Q CB 0.740 29.547 28.738 0.114 0.000 1.256 312 Q HN 0.575 nan 8.270 nan 0.000 0.519 313 Q N 2.392 122.282 119.800 0.150 0.000 2.283 313 Q HA 0.123 4.463 4.340 0.000 0.000 0.301 313 Q C -2.255 173.705 176.000 -0.066 0.000 1.063 313 Q CA -0.763 55.060 55.803 0.034 0.000 0.952 313 Q CB 0.438 29.010 28.738 -0.277 0.000 1.166 313 Q HN 0.360 nan 8.270 nan 0.000 0.381 314 P HA -0.033 nan 4.420 nan 0.000 0.266 314 P C -0.912 176.448 177.300 0.100 0.000 1.195 314 P CA -0.008 63.001 63.100 -0.151 0.000 0.768 314 P CB 0.547 32.020 31.700 -0.377 0.000 0.838 315 N N 1.018 119.776 118.700 0.097 0.000 2.479 315 N HA 0.339 5.079 4.740 0.000 0.000 0.257 315 N C -0.207 175.413 175.510 0.183 0.000 1.232 315 N CA 0.326 53.473 53.050 0.161 0.000 0.920 315 N CB 0.230 38.766 38.487 0.081 0.000 1.105 315 N HN 0.366 nan 8.380 nan 0.000 0.444 316 A N 1.221 124.187 122.820 0.243 0.000 2.475 316 A HA 0.532 4.852 4.320 0.000 0.000 0.301 316 A C -0.828 176.849 177.584 0.156 0.000 1.059 316 A CA -0.707 51.419 52.037 0.148 0.000 0.710 316 A CB 1.439 20.438 19.000 -0.003 0.000 1.288 316 A HN 0.626 nan 8.150 nan 0.000 0.408 317 E N 0.641 120.895 120.200 0.090 0.000 2.185 317 E HA 0.517 4.867 4.350 0.000 0.000 0.261 317 E C -1.897 174.746 176.600 0.071 0.000 0.879 317 E CA -0.580 55.864 56.400 0.072 0.000 0.756 317 E CB 2.230 31.944 29.700 0.023 0.000 1.152 317 E HN 0.383 nan 8.360 nan 0.000 0.416 318 L N 3.064 124.351 121.223 0.106 0.000 2.491 318 L HA 0.493 4.833 4.340 0.000 0.000 0.267 318 L C 0.339 177.203 176.870 -0.009 0.000 0.971 318 L CA 0.474 55.306 54.840 -0.013 0.000 0.857 318 L CB 1.246 43.211 42.059 -0.157 0.000 1.226 318 L HN 0.731 nan 8.230 nan 0.000 0.408 319 G N 3.429 112.212 108.800 -0.029 0.000 2.591 319 G HA2 -0.379 3.581 3.960 0.000 0.000 0.298 319 G HA3 -0.379 3.581 3.960 0.000 0.000 0.298 319 G C 0.725 175.632 174.900 0.011 0.000 1.195 319 G CA 0.724 45.811 45.100 -0.022 0.000 0.989 319 G HN 1.404 nan 8.290 nan 0.000 0.551 320 S N -0.709 115.006 115.700 0.024 0.000 2.593 320 S HA 0.352 4.822 4.470 0.000 0.000 0.217 320 S C 0.694 175.327 174.600 0.056 0.000 0.966 320 S CA 0.928 59.145 58.200 0.029 0.000 0.914 320 S CB 0.109 63.323 63.200 0.024 0.000 0.776 320 S HN 1.143 nan 8.310 nan 0.000 0.523 321 Y N 2.339 122.628 120.300 -0.019 0.000 2.299 321 Y HA 0.573 5.123 4.550 0.000 0.000 0.326 321 Y C -0.131 175.791 175.900 0.036 0.000 1.164 321 Y CA -0.319 57.793 58.100 0.020 0.000 1.234 321 Y CB 1.136 39.614 38.460 0.030 0.000 1.219 321 Y HN 0.145 nan 8.280 nan 0.000 0.497 322 S N 4.003 119.151 115.700 -0.919 0.000 2.603 322 S HA 0.783 5.253 4.470 0.000 0.000 0.274 322 S C -0.653 173.492 174.600 -0.758 0.000 1.168 322 S CA 0.265 58.099 58.200 -0.611 0.000 0.963 322 S CB 0.610 63.661 63.200 -0.249 0.000 1.078 322 S HN 1.555 nan 8.310 nan 0.000 0.477 323 G N 3.507 112.069 108.800 -0.398 0.000 2.352 323 G HA2 0.154 4.114 3.960 0.000 0.000 0.283 323 G HA3 0.154 4.114 3.960 0.000 0.000 0.283 323 G C -0.789 174.276 174.900 0.275 0.000 1.308 323 G CA 0.029 45.074 45.100 -0.093 0.000 0.892 323 G HN 1.045 nan 8.290 nan 0.000 0.504 324 N N -0.855 117.971 118.700 0.211 0.000 2.160 324 N HA 0.205 4.945 4.740 0.000 0.000 0.226 324 N C 0.037 175.403 175.510 -0.240 0.000 1.256 324 N CA 0.349 53.456 53.050 0.095 0.000 0.890 324 N CB 1.201 39.692 38.487 0.007 0.000 1.116 324 N HN 0.718 nan 8.380 nan 0.000 0.517 325 E N 1.085 121.285 120.200 0.001 0.000 2.175 325 E HA 0.201 4.551 4.350 0.000 0.000 0.278 325 E C -0.998 175.582 176.600 -0.035 0.000 0.969 325 E CA -0.806 55.539 56.400 -0.092 0.000 0.796 325 E CB 1.083 30.804 29.700 0.035 0.000 1.104 325 E HN 0.255 nan 8.360 nan 0.000 0.395 326 L N 6.019 127.107 121.223 -0.226 0.000 2.385 326 L HA 0.199 4.539 4.340 0.000 0.000 0.285 326 L C -0.938 175.981 176.870 0.083 0.000 1.125 326 L CA -0.148 54.652 54.840 -0.067 0.000 0.890 326 L CB -0.503 41.465 42.059 -0.151 0.000 1.251 326 L HN 0.592 nan 8.230 nan 0.000 0.445 327 N N 0.842 119.652 118.700 0.184 0.000 2.966 327 N HA 0.297 5.037 4.740 0.000 0.000 0.314 327 N C 0.206 175.832 175.510 0.195 0.000 1.397 327 N CA -0.816 52.347 53.050 0.190 0.000 0.776 327 N CB 0.407 39.013 38.487 0.198 0.000 1.576 327 N HN 0.123 nan 8.380 nan 0.000 0.592 328 D N -0.407 120.102 120.400 0.182 0.000 2.133 328 D HA -0.147 4.493 4.640 0.000 0.000 0.195 328 D C 0.561 176.930 176.300 0.115 0.000 0.997 328 D CA 1.427 55.524 54.000 0.161 0.000 0.840 328 D CB -0.254 40.628 40.800 0.138 0.000 0.947 328 D HN 0.541 nan 8.370 nan 0.000 0.452 329 D N -0.588 119.903 120.400 0.153 0.000 2.144 329 D HA -0.159 4.481 4.640 0.000 0.000 0.199 329 D C 1.899 178.220 176.300 0.034 0.000 0.984 329 D CA 0.567 54.667 54.000 0.166 0.000 0.834 329 D CB -0.418 40.567 40.800 0.309 0.000 0.955 329 D HN 0.315 nan 8.370 nan 0.000 0.465 330 Y N 1.230 121.373 120.300 -0.260 0.000 2.133 330 Y HA -0.237 4.313 4.550 0.000 0.000 0.287 330 Y C 2.359 178.006 175.900 -0.421 0.000 1.134 330 Y CA 1.214 58.851 58.100 -0.772 0.000 1.133 330 Y CB -0.625 37.342 38.460 -0.823 0.000 0.987 330 Y HN -0.009 nan 8.280 nan 0.000 0.502 331 c N -0.026 118.323 118.600 -0.417 0.000 2.413 331 c HA -0.182 4.388 4.570 0.000 0.000 0.277 331 c C 2.616 176.505 174.090 -0.334 0.000 1.265 331 c CA 1.785 57.837 56.329 -0.462 0.000 1.752 331 c CB -1.510 40.868 42.510 -0.221 0.000 1.998 331 c HN 0.665 nan 8.230 nan 0.000 0.489 332 T N 0.988 115.432 114.554 -0.185 0.000 2.857 332 T HA -0.018 4.332 4.350 0.000 0.000 0.266 332 T C 2.158 176.738 174.700 -0.201 0.000 1.048 332 T CA 1.424 63.453 62.100 -0.118 0.000 1.139 332 T CB -0.326 68.523 68.868 -0.033 0.000 0.874 332 T HN 0.633 nan 8.240 nan 0.000 0.455 333 A N 1.416 124.069 122.820 -0.278 0.000 1.930 333 A HA -0.104 4.216 4.320 0.000 0.000 0.217 333 A C 2.198 179.502 177.584 -0.467 0.000 1.175 333 A CA 1.741 53.602 52.037 -0.293 0.000 0.627 333 A CB -0.530 18.333 19.000 -0.228 0.000 0.815 333 A HN 0.593 nan 8.150 nan 0.000 0.443 334 E N -0.052 119.716 120.200 -0.720 0.000 2.051 334 E HA -0.218 4.132 4.350 0.000 0.000 0.192 334 E C 1.869 178.188 176.600 -0.469 0.000 0.991 334 E CA 1.330 57.228 56.400 -0.837 0.000 0.799 334 E CB -0.154 28.949 29.700 -0.995 0.000 0.748 334 E HN 0.734 nan 8.360 nan 0.000 0.449 335 E N -0.073 119.943 120.200 -0.307 0.000 2.153 335 E HA -0.175 4.175 4.350 0.000 0.000 0.194 335 E C 1.953 178.486 176.600 -0.112 0.000 0.988 335 E CA 0.755 57.067 56.400 -0.146 0.000 0.811 335 E CB -0.054 29.591 29.700 -0.091 0.000 0.746 335 E HN 0.337 nan 8.360 nan 0.000 0.466 336 A N 1.392 124.125 122.820 -0.146 0.000 1.897 336 A HA -0.167 4.153 4.320 0.000 0.000 0.215 336 A C 1.976 179.513 177.584 -0.080 0.000 1.181 336 A CA 1.111 53.089 52.037 -0.098 0.000 0.620 336 A CB -0.081 18.860 19.000 -0.098 0.000 0.821 336 A HN 0.041 nan 8.150 nan 0.000 0.443 337 E N -0.742 119.370 120.200 -0.146 0.000 2.060 337 E HA -0.003 4.347 4.350 0.000 0.000 0.189 337 E C 1.641 178.341 176.600 0.167 0.000 0.974 337 E CA 0.815 57.173 56.400 -0.070 0.000 0.808 337 E CB -0.394 29.166 29.700 -0.232 0.000 0.768 337 E HN 0.601 nan 8.360 nan 0.000 0.453 338 F N 0.299 120.200 119.950 -0.081 0.000 2.473 338 F HA 0.328 4.855 4.527 0.000 0.000 0.294 338 F C 1.435 177.208 175.800 -0.045 0.000 1.103 338 F CA 0.708 58.673 58.000 -0.058 0.000 1.442 338 F CB -0.409 38.550 39.000 -0.067 0.000 1.097 338 F HN 0.002 nan 8.300 nan 0.000 0.547 339 G N -0.795 108.078 108.800 0.122 0.000 2.619 339 G HA2 0.471 4.431 3.960 0.000 0.000 0.686 339 G HA3 0.471 4.431 3.960 0.000 0.000 0.686 339 G C -0.238 174.674 174.900 0.020 0.000 1.256 339 G CA -0.355 44.774 45.100 0.048 0.000 0.826 339 G HN 1.110 nan 8.290 nan 0.000 0.619 340 G N -1.565 107.219 108.800 -0.027 0.000 2.629 340 G HA2 0.515 4.475 3.960 0.000 0.000 0.686 340 G HA3 0.515 4.475 3.960 0.000 0.000 0.686 340 G C 0.518 175.369 174.900 -0.082 0.000 1.232 340 G CA 0.802 45.857 45.100 -0.076 0.000 0.803 340 G HN 2.593 nan 8.290 nan 0.000 0.638 341 S N -1.500 114.121 115.700 -0.132 0.000 2.904 341 S HA 0.428 4.898 4.470 0.000 0.000 0.260 341 S C 1.758 176.315 174.600 -0.071 0.000 1.000 341 S CA 1.272 59.422 58.200 -0.083 0.000 1.274 341 S CB 0.632 63.778 63.200 -0.090 0.000 1.196 341 S HN 1.821 nan 8.310 nan 0.000 0.678 342 S N 1.480 117.116 115.700 -0.106 0.000 2.353 342 S HA -0.100 4.370 4.470 0.000 0.000 0.222 342 S C 1.404 176.059 174.600 0.092 0.000 1.035 342 S CA 1.707 59.899 58.200 -0.013 0.000 1.025 342 S CB -0.677 62.572 63.200 0.082 0.000 0.902 342 S HN 0.587 nan 8.310 nan 0.000 0.440 343 F N 2.595 122.530 119.950 -0.024 0.000 2.095 343 F HA -0.142 4.385 4.527 0.000 0.000 0.298 343 F C 2.693 178.488 175.800 -0.010 0.000 1.104 343 F CA 2.192 60.181 58.000 -0.020 0.000 1.232 343 F CB -0.814 38.153 39.000 -0.055 0.000 0.987 343 F HN 0.402 nan 8.300 nan 0.000 0.475 344 S N -0.862 114.863 115.700 0.041 0.000 2.406 344 S HA -0.157 4.313 4.470 0.000 0.000 0.228 344 S C 1.742 176.294 174.600 -0.080 0.000 1.020 344 S CA 1.128 59.294 58.200 -0.056 0.000 0.965 344 S CB -0.675 62.541 63.200 0.028 0.000 0.798 344 S HN 0.390 nan 8.310 nan 0.000 0.488 345 D N 1.826 122.197 120.400 -0.049 0.000 2.178 345 D HA 0.005 4.645 4.640 0.000 0.000 0.201 345 D C 1.384 177.654 176.300 -0.049 0.000 0.980 345 D CA 1.084 55.060 54.000 -0.040 0.000 0.842 345 D CB -0.179 40.604 40.800 -0.028 0.000 0.948 345 D HN 0.305 nan 8.370 nan 0.000 0.472 346 K N -0.853 119.503 120.400 -0.073 0.000 2.437 346 K HA 0.277 4.597 4.320 0.000 0.000 0.198 346 K C 0.953 177.477 176.600 -0.126 0.000 1.024 346 K CA 0.379 56.622 56.287 -0.073 0.000 1.148 346 K CB 0.490 32.968 32.500 -0.037 0.000 0.860 346 K HN 0.136 nan 8.250 nan 0.000 0.515 347 G N -1.030 107.674 108.800 -0.160 0.000 2.176 347 G HA2 -0.194 3.766 3.960 0.000 0.000 0.232 347 G HA3 -0.194 3.766 3.960 0.000 0.000 0.232 347 G C 0.682 175.432 174.900 -0.251 0.000 0.986 347 G CA 0.020 45.028 45.100 -0.154 0.000 0.643 347 G HN 0.673 nan 8.290 nan 0.000 0.522 348 G N -0.227 108.226 108.800 -0.579 0.000 2.578 348 G HA2 -0.224 3.736 3.960 0.000 0.000 0.275 348 G HA3 -0.224 3.736 3.960 0.000 0.000 0.275 348 G C 1.087 175.725 174.900 -0.437 0.000 1.271 348 G CA 0.532 45.079 45.100 -0.922 0.000 0.941 348 G HN 1.193 nan 8.290 nan 0.000 0.564 349 L N 0.440 121.679 121.223 0.027 0.000 2.275 349 L HA -0.024 4.316 4.340 0.000 0.000 0.215 349 L C 3.255 180.242 176.870 0.194 0.000 1.119 349 L CA 1.862 56.862 54.840 0.267 0.000 0.790 349 L CB -0.740 41.515 42.059 0.327 0.000 0.919 349 L HN 0.705 nan 8.230 nan 0.000 0.443 350 T N -1.145 113.463 114.554 0.090 0.000 2.737 350 T HA -0.240 4.110 4.350 0.000 0.000 0.265 350 T C 1.830 176.557 174.700 0.045 0.000 1.038 350 T CA 1.386 63.524 62.100 0.064 0.000 1.144 350 T CB -0.075 68.812 68.868 0.032 0.000 0.866 350 T HN 0.193 nan 8.240 nan 0.000 0.434 351 Q N 0.360 120.171 119.800 0.017 0.000 2.119 351 Q HA 0.020 4.360 4.340 0.000 0.000 0.201 351 Q C 1.799 177.826 176.000 0.045 0.000 0.972 351 Q CA 1.297 57.104 55.803 0.007 0.000 0.847 351 Q CB -0.679 28.043 28.738 -0.027 0.000 0.903 351 Q HN 0.508 nan 8.270 nan 0.000 0.433 352 F N 0.914 120.849 119.950 -0.024 0.000 2.293 352 F HA -0.047 4.480 4.527 0.000 0.000 0.300 352 F C 1.949 177.779 175.800 0.050 0.000 1.086 352 F CA 1.463 59.484 58.000 0.037 0.000 1.375 352 F CB -0.081 38.985 39.000 0.109 0.000 1.045 352 F HN 0.084 nan 8.300 nan 0.000 0.516 353 K N 0.569 120.990 120.400 0.035 0.000 2.209 353 K HA -0.182 4.138 4.320 0.000 0.000 0.204 353 K C 1.895 178.427 176.600 -0.112 0.000 1.048 353 K CA 1.284 57.561 56.287 -0.017 0.000 0.940 353 K CB -0.044 32.494 32.500 0.064 0.000 0.729 353 K HN 0.260 nan 8.250 nan 0.000 0.451 354 K N -0.202 120.131 120.400 -0.111 0.000 2.211 354 K HA -0.099 4.221 4.320 0.000 0.000 0.203 354 K C 2.034 178.531 176.600 -0.172 0.000 1.050 354 K CA 1.080 57.302 56.287 -0.109 0.000 0.945 354 K CB -0.014 32.442 32.500 -0.073 0.000 0.732 354 K HN 0.162 nan 8.250 nan 0.000 0.451 355 A N 1.502 124.141 122.820 -0.301 0.000 1.874 355 A HA -0.110 4.210 4.320 0.000 0.000 0.214 355 A C 2.319 179.683 177.584 -0.366 0.000 1.189 355 A CA 1.784 53.605 52.037 -0.359 0.000 0.615 355 A CB -0.914 17.763 19.000 -0.539 0.000 0.830 355 A HN 0.412 nan 8.150 nan 0.000 0.443 356 T N -2.810 111.471 114.554 -0.456 0.000 3.007 356 T HA -0.037 4.313 4.350 0.000 0.000 0.270 356 T C 1.786 176.362 174.700 -0.207 0.000 1.107 356 T CA 1.609 63.491 62.100 -0.364 0.000 1.118 356 T CB -0.308 68.365 68.868 -0.326 0.000 0.889 356 T HN 0.217 nan 8.240 nan 0.000 0.506 357 S N 0.845 116.454 115.700 -0.151 0.000 2.436 357 S HA 0.315 4.785 4.470 0.000 0.000 0.228 357 S C 1.400 175.955 174.600 -0.076 0.000 1.014 357 S CA 0.363 58.514 58.200 -0.082 0.000 0.950 357 S CB -0.313 62.852 63.200 -0.059 0.000 0.784 357 S HN 0.851 nan 8.310 nan 0.000 0.504 358 G N 0.144 108.881 108.800 -0.104 0.000 2.642 358 G HA2 0.584 4.544 3.960 0.000 0.000 0.291 358 G HA3 0.584 4.544 3.960 0.000 0.000 0.291 358 G C -0.043 174.803 174.900 -0.089 0.000 1.345 358 G CA -0.453 44.598 45.100 -0.082 0.000 1.043 358 G HN 0.344 nan 8.290 nan 0.000 0.528 359 G N -1.090 107.671 108.800 -0.066 0.000 2.444 359 G HA2 0.512 4.472 3.960 0.000 0.000 0.268 359 G HA3 0.512 4.472 3.960 0.000 0.000 0.268 359 G C -0.449 174.416 174.900 -0.057 0.000 1.203 359 G CA -0.401 44.665 45.100 -0.057 0.000 0.835 359 G HN 0.437 nan 8.290 nan 0.000 0.543 360 M N 1.054 120.639 119.600 -0.026 0.000 2.501 360 M HA 0.292 4.772 4.480 0.000 0.000 0.293 360 M C -0.805 175.600 176.300 0.174 0.000 1.192 360 M CA -0.824 54.494 55.300 0.030 0.000 0.886 360 M CB 2.850 35.440 32.600 -0.015 0.000 1.710 360 M HN 0.185 nan 8.290 nan 0.000 0.457 361 V N 2.887 122.839 119.914 0.063 0.000 2.509 361 V HA 0.305 4.425 4.120 0.000 0.000 0.284 361 V C -0.430 175.521 176.094 -0.238 0.000 1.047 361 V CA -0.775 61.495 62.300 -0.049 0.000 0.952 361 V CB 1.519 33.163 31.823 -0.299 0.000 0.988 361 V HN 0.636 nan 8.190 nan 0.000 0.469 362 L N 7.173 128.148 121.223 -0.414 0.000 2.367 362 L HA 0.499 4.839 4.340 0.000 0.000 0.275 362 L C -0.296 176.155 176.870 -0.698 0.000 1.129 362 L CA 0.654 54.878 54.840 -1.028 0.000 0.839 362 L CB 1.062 42.500 42.059 -1.034 0.000 1.133 362 L HN 0.443 nan 8.230 nan 0.000 0.453 363 V N 6.325 125.703 119.914 -0.893 0.000 2.604 363 V HA 0.565 4.685 4.120 0.000 0.000 0.305 363 V C -0.087 175.521 176.094 -0.810 0.000 1.043 363 V CA -0.606 61.231 62.300 -0.772 0.000 0.888 363 V CB 1.738 32.904 31.823 -1.094 0.000 0.995 363 V HN 0.804 nan 8.190 nan 0.000 0.429 364 M N 4.119 123.376 119.600 -0.572 0.000 2.263 364 M HA 0.655 5.135 4.480 0.000 0.000 0.295 364 M C -0.526 175.684 176.300 -0.150 0.000 1.028 364 M CA -0.151 54.889 55.300 -0.432 0.000 0.921 364 M CB 2.345 34.650 32.600 -0.491 0.000 1.601 364 M HN 0.882 nan 8.290 nan 0.000 0.440 365 S N 2.753 118.536 115.700 0.138 0.000 2.671 365 S HA 0.913 5.383 4.470 0.000 0.000 0.277 365 S C -1.717 173.160 174.600 0.463 0.000 1.165 365 S CA -0.926 57.417 58.200 0.239 0.000 0.822 365 S CB 2.377 65.713 63.200 0.226 0.000 1.150 365 S HN 0.648 nan 8.310 nan 0.000 0.479 366 L N 2.030 123.529 121.223 0.461 0.000 2.476 366 L HA 0.828 5.168 4.340 0.000 0.000 0.269 366 L C -1.710 175.544 176.870 0.641 0.000 0.965 366 L CA -0.113 55.011 54.840 0.473 0.000 0.845 366 L CB 1.578 43.843 42.059 0.345 0.000 1.259 366 L HN 0.978 nan 8.230 nan 0.000 0.403 367 W N 3.159 124.642 121.300 0.305 0.000 3.074 367 W HA 0.648 5.308 4.660 0.000 0.000 0.332 367 W C -1.690 175.009 176.519 0.300 0.000 1.253 367 W CA -0.882 56.684 57.345 0.368 0.000 1.180 367 W CB 0.864 30.537 29.460 0.356 0.000 1.445 367 W HN 0.637 nan 8.180 nan 0.000 0.573 368 D N -0.042 120.674 120.400 0.527 0.000 2.350 368 D HA 0.319 4.959 4.640 0.000 0.000 0.238 368 D C -1.257 175.265 176.300 0.369 0.000 0.989 368 D CA -0.521 53.602 54.000 0.205 0.000 0.921 368 D CB 1.812 42.755 40.800 0.238 0.000 1.297 368 D HN 0.142 nan 8.370 nan 0.000 0.490 369 D N 0.145 120.631 120.400 0.143 0.000 2.412 369 D HA 0.141 4.781 4.640 0.000 0.000 0.224 369 D C -0.289 176.120 176.300 0.182 0.000 1.093 369 D CA -0.505 53.705 54.000 0.350 0.000 0.850 369 D CB 0.189 41.141 40.800 0.252 0.000 1.046 369 D HN 0.324 nan 8.370 nan 0.000 0.507 370 Y N 2.223 122.679 120.300 0.260 0.000 2.561 370 Y HA -0.032 4.518 4.550 0.000 0.000 0.291 370 Y C 0.881 176.663 175.900 -0.196 0.000 1.141 370 Y CA 0.645 58.749 58.100 0.007 0.000 1.303 370 Y CB 0.046 38.456 38.460 -0.083 0.000 1.015 370 Y HN 0.531 nan 8.280 nan 0.000 0.547 371 Y N -2.311 118.120 120.300 0.219 0.000 2.500 371 Y HA 0.352 4.902 4.550 0.000 0.000 0.284 371 Y C 1.854 177.823 175.900 0.116 0.000 1.118 371 Y CA 0.534 58.709 58.100 0.124 0.000 1.241 371 Y CB 0.222 38.701 38.460 0.032 0.000 1.171 371 Y HN -0.066 nan 8.280 nan 0.000 0.540 372 A N -0.758 122.218 122.820 0.261 0.000 2.661 372 A HA 0.237 4.557 4.320 0.000 0.000 0.278 372 A C 0.351 177.976 177.584 0.067 0.000 1.090 372 A CA -0.065 52.078 52.037 0.176 0.000 0.969 372 A CB -0.732 18.355 19.000 0.145 0.000 1.240 372 A HN 0.456 nan 8.150 nan 0.000 0.578 373 N N -1.181 117.543 118.700 0.040 0.000 2.693 373 N HA -0.296 4.444 4.740 0.000 0.000 0.249 373 N C 0.490 175.886 175.510 -0.191 0.000 1.119 373 N CA 0.592 53.599 53.050 -0.072 0.000 0.717 373 N CB -0.816 37.628 38.487 -0.071 0.000 1.071 373 N HN 0.605 nan 8.380 nan 0.000 0.555 374 M N -1.629 117.837 119.600 -0.222 0.000 2.856 374 M HA -0.238 4.242 4.480 0.000 0.000 0.189 374 M C 0.723 176.525 176.300 -0.830 0.000 0.612 374 M CA 0.759 55.671 55.300 -0.646 0.000 0.673 374 M CB -1.173 31.044 32.600 -0.638 0.000 2.440 374 M HN 0.400 nan 8.290 nan 0.000 0.437 375 L N -0.727 120.185 121.223 -0.518 0.000 2.131 375 L HA -0.176 4.164 4.340 0.000 0.000 0.210 375 L C 2.271 178.865 176.870 -0.460 0.000 1.092 375 L CA 1.990 56.594 54.840 -0.394 0.000 0.759 375 L CB -0.872 41.104 42.059 -0.138 0.000 0.903 375 L HN 0.814 nan 8.230 nan 0.000 0.435 376 W N -0.108 120.874 121.300 -0.530 0.000 2.421 376 W HA -0.167 4.493 4.660 0.000 0.000 0.270 376 W C 1.832 178.240 176.519 -0.184 0.000 1.233 376 W CA 0.401 57.516 57.345 -0.384 0.000 1.226 376 W CB -0.609 28.602 29.460 -0.415 0.000 1.121 376 W HN 0.199 nan 8.180 nan 0.000 0.579 377 L N 2.329 122.896 121.223 -1.093 0.000 2.269 377 L HA 0.058 4.398 4.340 0.000 0.000 0.200 377 L C 1.370 177.909 176.870 -0.551 0.000 1.069 377 L CA 2.425 56.703 54.840 -0.937 0.000 0.804 377 L CB -0.587 40.541 42.059 -1.551 0.000 0.987 377 L HN -0.084 nan 8.230 nan 0.000 0.468 378 D N -2.144 117.925 120.400 -0.552 0.000 2.513 378 D HA 0.239 4.879 4.640 0.000 0.000 0.222 378 D C 0.571 176.663 176.300 -0.347 0.000 1.210 378 D CA 0.176 53.920 54.000 -0.425 0.000 0.825 378 D CB 0.286 40.841 40.800 -0.408 0.000 1.037 378 D HN 0.178 nan 8.370 nan 0.000 0.506 379 S N -1.267 114.266 115.700 -0.277 0.000 3.132 379 S HA 0.636 5.106 4.470 0.000 0.000 0.322 379 S C -1.031 173.520 174.600 -0.082 0.000 1.124 379 S CA -0.537 57.560 58.200 -0.173 0.000 0.906 379 S CB 0.808 63.925 63.200 -0.139 0.000 1.349 379 S HN 0.000 nan 8.310 nan 0.000 0.686 380 T N 1.753 116.299 114.554 -0.013 0.000 2.795 380 T HA 0.590 4.940 4.350 0.000 0.000 0.282 380 T C -1.760 173.022 174.700 0.137 0.000 0.980 380 T CA 0.104 62.226 62.100 0.036 0.000 1.012 380 T CB 0.523 69.401 68.868 0.017 0.000 0.936 380 T HN 0.436 nan 8.240 nan 0.000 0.457 381 Y N 3.922 124.206 120.300 -0.028 0.000 2.401 381 Y HA 0.408 4.958 4.550 0.000 0.000 0.330 381 Y C -2.788 173.115 175.900 0.005 0.000 1.071 381 Y CA -2.379 55.725 58.100 0.005 0.000 1.049 381 Y CB 1.656 40.145 38.460 0.049 0.000 1.239 381 Y HN 0.459 nan 8.280 nan 0.000 0.437 382 P HA 0.072 nan 4.420 nan 0.000 0.269 382 P C 0.732 177.937 177.300 -0.157 0.000 1.215 382 P CA 0.358 63.132 63.100 -0.542 0.000 0.780 382 P CB 0.792 32.246 31.700 -0.410 0.000 0.898 383 T N -2.090 112.424 114.554 -0.067 0.000 2.977 383 T HA -0.165 4.185 4.350 0.000 0.000 0.271 383 T C 1.144 175.832 174.700 -0.020 0.000 1.105 383 T CA 1.243 63.344 62.100 0.002 0.000 1.116 383 T CB -0.843 68.046 68.868 0.034 0.000 0.878 383 T HN 0.481 nan 8.240 nan 0.000 0.509 384 N N 0.784 119.457 118.700 -0.045 0.000 2.412 384 N HA -0.012 4.728 4.740 0.000 0.000 0.184 384 N C 0.140 175.629 175.510 -0.035 0.000 1.101 384 N CA 0.058 53.087 53.050 -0.035 0.000 0.881 384 N CB -0.017 38.447 38.487 -0.038 0.000 0.969 384 N HN 0.389 nan 8.380 nan 0.000 0.459 385 E N 0.985 121.159 120.200 -0.044 0.000 2.342 385 E HA 0.205 4.555 4.350 0.000 0.000 0.257 385 E C 0.444 177.029 176.600 -0.024 0.000 1.150 385 E CA -0.086 56.291 56.400 -0.039 0.000 0.926 385 E CB 1.184 30.851 29.700 -0.055 0.000 1.074 385 E HN 0.387 nan 8.360 nan 0.000 0.449 386 T N -3.407 111.135 114.554 -0.021 0.000 2.883 386 T HA 0.228 4.578 4.350 0.000 0.000 0.284 386 T C 1.134 175.828 174.700 -0.011 0.000 1.041 386 T CA -0.152 61.941 62.100 -0.011 0.000 1.007 386 T CB 0.906 69.769 68.868 -0.007 0.000 1.220 386 T HN 0.305 nan 8.240 nan 0.000 0.552 387 S N 0.224 115.923 115.700 -0.001 0.000 2.469 387 S HA -0.125 4.345 4.470 0.000 0.000 0.238 387 S C 2.044 176.642 174.600 -0.004 0.000 0.998 387 S CA 1.167 59.368 58.200 0.003 0.000 0.957 387 S CB -1.156 62.053 63.200 0.015 0.000 0.764 387 S HN 0.986 nan 8.310 nan 0.000 0.514 388 S N 0.671 116.368 115.700 -0.005 0.000 2.453 388 S HA 0.024 4.495 4.470 0.000 0.000 0.231 388 S C 0.755 175.351 174.600 -0.006 0.000 1.005 388 S CA 0.291 58.490 58.200 -0.002 0.000 0.949 388 S CB -0.947 62.252 63.200 -0.001 0.000 0.774 388 S HN 0.433 nan 8.310 nan 0.000 0.510 389 T N 4.922 119.464 114.554 -0.021 0.000 2.761 389 T HA 0.382 4.732 4.350 0.000 0.000 0.296 389 T C -2.735 171.928 174.700 -0.062 0.000 0.934 389 T CA -1.083 60.998 62.100 -0.033 0.000 1.091 389 T CB 0.982 69.823 68.868 -0.046 0.000 0.896 389 T HN 0.175 nan 8.240 nan 0.000 0.515 390 P HA 0.194 nan 4.420 nan 0.000 0.262 390 P C 1.087 178.109 177.300 -0.464 0.000 1.199 390 P CA 0.719 63.794 63.100 -0.042 0.000 0.763 390 P CB 0.226 32.037 31.700 0.185 0.000 0.790 391 G N 3.269 111.560 108.800 -0.849 0.000 2.184 391 G HA2 -0.374 3.587 3.960 0.000 0.000 0.264 391 G HA3 -0.374 3.587 3.960 0.000 0.000 0.264 391 G C 1.215 175.790 174.900 -0.541 0.000 0.975 391 G CA 0.488 44.760 45.100 -1.380 0.000 0.642 391 G HN 0.648 nan 8.290 nan 0.000 0.536 392 A N -0.497 122.147 122.820 -0.292 0.000 1.902 392 A HA 0.373 4.693 4.320 0.000 0.000 0.217 392 A C 1.478 179.031 177.584 -0.052 0.000 1.181 392 A CA 1.874 53.837 52.037 -0.124 0.000 0.623 392 A CB -0.167 18.784 19.000 -0.082 0.000 0.818 392 A HN 1.154 nan 8.150 nan 0.000 0.443 393 V N 0.496 120.388 119.914 -0.037 0.000 2.408 393 V HA 0.278 4.398 4.120 0.000 0.000 0.267 393 V C 0.868 176.999 176.094 0.062 0.000 1.047 393 V CA -0.046 62.273 62.300 0.032 0.000 0.937 393 V CB 0.784 32.666 31.823 0.099 0.000 0.999 393 V HN 0.534 nan 8.190 nan 0.000 0.472 394 R N 2.610 123.100 120.500 -0.018 0.000 2.373 394 R HA 0.504 4.844 4.340 0.000 0.000 0.221 394 R C 0.753 176.847 176.300 -0.344 0.000 0.893 394 R CA 0.492 56.559 56.100 -0.055 0.000 1.049 394 R CB 1.020 31.279 30.300 -0.069 0.000 1.119 394 R HN 0.833 nan 8.270 nan 0.000 0.535 395 G N -1.101 107.352 108.800 -0.578 0.000 2.550 395 G HA2 0.237 4.197 3.960 0.000 0.000 0.293 395 G HA3 0.237 4.197 3.960 0.000 0.000 0.293 395 G C -0.385 174.108 174.900 -0.679 0.000 1.402 395 G CA -0.198 44.290 45.100 -1.021 0.000 0.784 395 G HN -0.044 nan 8.290 nan 0.000 0.482 396 S N -1.632 113.764 115.700 -0.507 0.000 2.575 396 S HA 0.165 4.635 4.470 0.000 0.000 0.215 396 S C 0.832 175.358 174.600 -0.122 0.000 0.966 396 S CA -0.119 57.988 58.200 -0.154 0.000 0.911 396 S CB -0.603 62.604 63.200 0.012 0.000 0.780 396 S HN 0.658 nan 8.310 nan 0.000 0.514 397 c N 2.649 121.141 118.600 -0.181 0.000 2.652 397 c HA 0.575 5.145 4.570 0.000 0.000 0.412 397 c C 1.298 175.324 174.090 -0.107 0.000 1.294 397 c CA -0.546 55.695 56.329 -0.146 0.000 2.127 397 c CB 0.287 42.682 42.510 -0.191 0.000 2.691 397 c HN 0.641 nan 8.230 nan 0.000 0.615 398 S N 1.158 116.810 115.700 -0.081 0.000 2.572 398 S HA 0.063 4.533 4.470 0.000 0.000 0.279 398 S C 1.458 176.023 174.600 -0.057 0.000 1.341 398 S CA 0.246 58.413 58.200 -0.056 0.000 1.043 398 S CB 0.643 63.816 63.200 -0.045 0.000 0.887 398 S HN 0.942 nan 8.310 nan 0.000 0.516 399 T N 0.916 115.450 114.554 -0.033 0.000 3.098 399 T HA -0.069 4.281 4.350 0.000 0.000 0.266 399 T C 1.525 176.215 174.700 -0.016 0.000 1.145 399 T CA 1.035 63.126 62.100 -0.015 0.000 1.092 399 T CB -0.577 68.295 68.868 0.007 0.000 0.908 399 T HN 0.673 nan 8.240 nan 0.000 0.526 400 S N 0.893 116.577 115.700 -0.028 0.000 2.575 400 S HA 0.213 4.684 4.470 0.000 0.000 0.215 400 S C 1.027 175.600 174.600 -0.045 0.000 0.966 400 S CA -0.241 57.943 58.200 -0.028 0.000 0.911 400 S CB -0.387 62.799 63.200 -0.024 0.000 0.780 400 S HN 0.692 nan 8.310 nan 0.000 0.514 401 S N 0.362 116.023 115.700 -0.066 0.000 2.645 401 S HA 0.610 5.080 4.470 0.000 0.000 0.266 401 S C 1.291 175.826 174.600 -0.108 0.000 1.258 401 S CA 0.137 58.283 58.200 -0.090 0.000 0.990 401 S CB 0.421 63.551 63.200 -0.116 0.000 0.967 401 S HN 1.477 nan 8.310 nan 0.000 0.556 402 G N -0.667 108.059 108.800 -0.123 0.000 2.159 402 G HA2 -0.234 3.727 3.960 0.000 0.000 0.256 402 G HA3 -0.234 3.727 3.960 0.000 0.000 0.256 402 G C 0.059 174.886 174.900 -0.121 0.000 0.977 402 G CA -0.053 44.962 45.100 -0.142 0.000 0.652 402 G HN 1.233 nan 8.290 nan 0.000 0.531 403 V N 1.615 121.472 119.914 -0.094 0.000 2.458 403 V HA 0.086 4.206 4.120 0.000 0.000 0.287 403 V C 0.159 176.179 176.094 -0.124 0.000 1.009 403 V CA 0.125 62.365 62.300 -0.100 0.000 1.091 403 V CB 0.994 32.780 31.823 -0.062 0.000 0.960 403 V HN 0.147 nan 8.190 nan 0.000 0.476 404 P HA -0.256 nan 4.420 nan 0.000 0.215 404 P C 1.593 178.824 177.300 -0.116 0.000 1.163 404 P CA 2.185 65.101 63.100 -0.307 0.000 0.894 404 P CB 0.157 31.254 31.700 -1.005 0.000 0.791 405 A N -0.739 122.032 122.820 -0.081 0.000 1.933 405 A HA -0.278 4.042 4.320 0.000 0.000 0.218 405 A C 2.389 179.972 177.584 -0.002 0.000 1.175 405 A CA 1.899 53.931 52.037 -0.009 0.000 0.628 405 A CB -1.367 17.640 19.000 0.011 0.000 0.814 405 A HN 0.236 nan 8.150 nan 0.000 0.444 406 Q N -0.010 119.783 119.800 -0.011 0.000 2.049 406 Q HA -0.113 4.227 4.340 0.000 0.000 0.198 406 Q C 2.032 178.047 176.000 0.025 0.000 0.971 406 Q CA 2.180 57.983 55.803 -0.000 0.000 0.833 406 Q CB -0.283 28.446 28.738 -0.015 0.000 0.896 406 Q HN 0.640 nan 8.270 nan 0.000 0.434 407 V N -1.751 118.188 119.914 0.043 0.000 2.515 407 V HA -0.166 3.954 4.120 0.000 0.000 0.250 407 V C 1.574 177.828 176.094 0.267 0.000 1.058 407 V CA 1.936 64.302 62.300 0.111 0.000 1.064 407 V CB -0.685 31.181 31.823 0.071 0.000 0.675 407 V HN 0.282 nan 8.190 nan 0.000 0.461 408 E N 0.936 121.261 120.200 0.208 0.000 2.150 408 E HA -0.130 4.220 4.350 0.000 0.000 0.193 408 E C 2.369 178.993 176.600 0.041 0.000 0.985 408 E CA 1.365 57.804 56.400 0.064 0.000 0.814 408 E CB -0.150 29.483 29.700 -0.111 0.000 0.752 408 E HN 0.692 nan 8.360 nan 0.000 0.466 409 S N 0.252 115.977 115.700 0.042 0.000 2.388 409 S HA -0.111 4.359 4.470 0.000 0.000 0.223 409 S C 1.892 176.514 174.600 0.038 0.000 1.034 409 S CA 0.884 59.099 58.200 0.025 0.000 0.963 409 S CB 0.102 63.311 63.200 0.014 0.000 0.827 409 S HN 0.179 nan 8.310 nan 0.000 0.481 410 Q N 0.109 119.939 119.800 0.050 0.000 2.212 410 Q HA 0.217 4.557 4.340 0.000 0.000 0.199 410 Q C 0.369 176.402 176.000 0.055 0.000 0.950 410 Q CA 0.779 56.606 55.803 0.040 0.000 0.863 410 Q CB 0.276 29.027 28.738 0.021 0.000 0.944 410 Q HN 0.377 nan 8.270 nan 0.000 0.465 411 S N 1.033 116.798 115.700 0.108 0.000 2.422 411 S HA 0.159 4.630 4.470 0.000 0.000 0.226 411 S C -2.035 172.721 174.600 0.261 0.000 1.242 411 S CA -0.738 57.538 58.200 0.126 0.000 1.231 411 S CB 0.862 64.097 63.200 0.058 0.000 1.067 411 S HN 0.203 nan 8.310 nan 0.000 0.462 412 P HA -0.076 nan 4.420 nan 0.000 0.220 412 P C 0.515 177.926 177.300 0.185 0.000 1.148 412 P CA 1.054 64.254 63.100 0.167 0.000 0.803 412 P CB 0.063 31.799 31.700 0.059 0.000 0.782 413 N N -0.017 118.765 118.700 0.136 0.000 2.383 413 N HA 0.117 4.857 4.740 0.000 0.000 0.192 413 N C 0.821 176.397 175.510 0.109 0.000 1.141 413 N CA 0.061 53.174 53.050 0.106 0.000 0.851 413 N CB -0.105 38.419 38.487 0.062 0.000 0.976 413 N HN 0.157 nan 8.380 nan 0.000 0.465 414 A N 1.704 124.613 122.820 0.148 0.000 2.448 414 A HA 0.337 4.657 4.320 0.000 0.000 0.239 414 A C 0.684 178.324 177.584 0.093 0.000 1.080 414 A CA 0.198 52.268 52.037 0.055 0.000 0.779 414 A CB 0.274 19.219 19.000 -0.092 0.000 1.026 414 A HN 0.414 nan 8.150 nan 0.000 0.499 415 K N -1.165 119.247 120.400 0.021 0.000 2.658 415 K HA 0.668 4.988 4.320 0.000 0.000 0.293 415 K C -1.910 174.677 176.600 -0.022 0.000 1.026 415 K CA -0.841 55.471 56.287 0.041 0.000 0.871 415 K CB 1.451 33.985 32.500 0.056 0.000 1.524 415 K HN 0.952 nan 8.250 nan 0.000 0.400 416 V N 0.515 120.408 119.914 -0.035 0.000 2.841 416 V HA 0.636 4.756 4.120 0.000 0.000 0.310 416 V C -1.683 174.292 176.094 -0.198 0.000 1.090 416 V CA -0.127 62.078 62.300 -0.158 0.000 0.930 416 V CB 2.383 34.064 31.823 -0.238 0.000 1.014 416 V HN 0.901 nan 8.190 nan 0.000 0.425 417 T N 7.156 121.555 114.554 -0.258 0.000 2.847 417 T HA 0.597 4.947 4.350 0.000 0.000 0.291 417 T C -1.062 173.529 174.700 -0.181 0.000 0.998 417 T CA 0.029 62.042 62.100 -0.146 0.000 0.967 417 T CB 0.625 69.474 68.868 -0.032 0.000 0.954 417 T HN 0.392 nan 8.240 nan 0.000 0.441 418 F N 2.753 122.768 119.950 0.107 0.000 2.420 418 F HA 0.694 5.221 4.527 0.000 0.000 0.342 418 F C 0.978 176.842 175.800 0.108 0.000 1.113 418 F CA -0.511 57.563 58.000 0.123 0.000 1.059 418 F CB 1.650 40.680 39.000 0.050 0.000 1.128 418 F HN 0.607 nan 8.300 nan 0.000 0.475 419 S N 1.183 117.079 115.700 0.327 0.000 2.656 419 S HA 0.453 4.923 4.470 0.000 0.000 0.273 419 S C -0.526 174.186 174.600 0.186 0.000 1.168 419 S CA -1.101 57.224 58.200 0.209 0.000 0.817 419 S CB 1.386 64.670 63.200 0.140 0.000 1.146 419 S HN 0.640 nan 8.310 nan 0.000 0.475 420 N N 0.029 118.813 118.700 0.139 0.000 2.705 420 N HA -0.155 4.585 4.740 0.000 0.000 0.255 420 N C -0.801 174.770 175.510 0.103 0.000 1.008 420 N CA 0.608 53.724 53.050 0.111 0.000 0.742 420 N CB -1.627 36.905 38.487 0.074 0.000 0.906 420 N HN 0.691 nan 8.380 nan 0.000 0.541 421 I N 0.627 121.273 120.570 0.127 0.000 2.618 421 I HA 0.004 4.174 4.170 0.000 0.000 0.284 421 I C 0.686 176.850 176.117 0.079 0.000 1.146 421 I CA 0.543 61.857 61.300 0.024 0.000 1.425 421 I CB 0.450 38.490 38.000 0.066 0.000 1.383 421 I HN 0.115 nan 8.210 nan 0.000 0.562 422 K N 6.919 127.273 120.400 -0.078 0.000 2.482 422 K HA 0.542 4.862 4.320 0.000 0.000 0.251 422 K C -1.309 175.352 176.600 0.101 0.000 0.936 422 K CA -0.701 55.643 56.287 0.095 0.000 0.791 422 K CB 2.765 35.292 32.500 0.046 0.000 1.213 422 K HN 0.348 nan 8.250 nan 0.000 0.428 423 F N 0.737 120.804 119.950 0.194 0.000 2.578 423 F HA 0.748 5.275 4.527 0.000 0.000 0.311 423 F C -0.371 175.600 175.800 0.286 0.000 1.094 423 F CA -0.007 58.154 58.000 0.268 0.000 0.923 423 F CB 2.234 41.536 39.000 0.504 0.000 1.230 423 F HN 0.692 nan 8.300 nan 0.000 0.450 424 G N 3.664 112.035 108.800 -0.715 0.000 2.317 424 G HA2 0.358 4.318 3.960 0.000 0.000 0.293 424 G HA3 0.358 4.318 3.960 0.000 0.000 0.293 424 G C -3.436 171.219 174.900 -0.409 0.000 1.287 424 G CA -0.988 43.799 45.100 -0.521 0.000 0.850 424 G HN 0.434 nan 8.290 nan 0.000 0.515 425 P HA 0.270 nan 4.420 nan 0.000 0.268 425 P C 0.329 177.596 177.300 -0.055 0.000 1.208 425 P CA -0.143 62.895 63.100 -0.105 0.000 0.777 425 P CB 0.426 32.096 31.700 -0.051 0.000 0.875 426 I N 1.516 122.080 120.570 -0.010 0.000 2.752 426 I HA 0.011 4.181 4.170 0.000 0.000 0.289 426 I C 1.650 177.780 176.117 0.023 0.000 1.197 426 I CA 1.493 62.808 61.300 0.025 0.000 1.432 426 I CB -0.691 37.334 38.000 0.042 0.000 1.359 426 I HN 0.739 nan 8.210 nan 0.000 0.571 427 G N 3.819 112.645 108.800 0.043 0.000 2.157 427 G HA2 -0.308 3.652 3.960 0.000 0.000 0.248 427 G HA3 -0.308 3.652 3.960 0.000 0.000 0.248 427 G C 0.806 175.722 174.900 0.027 0.000 0.979 427 G CA 0.558 45.680 45.100 0.036 0.000 0.650 427 G HN 0.760 nan 8.290 nan 0.000 0.529 428 S N -0.936 114.775 115.700 0.019 0.000 2.506 428 S HA 0.105 4.575 4.470 0.000 0.000 0.219 428 S C 2.162 176.774 174.600 0.020 0.000 1.031 428 S CA 1.486 59.692 58.200 0.010 0.000 0.911 428 S CB -0.161 63.033 63.200 -0.009 0.000 0.812 428 S HN 1.269 nan 8.310 nan 0.000 0.497 429 T N -1.073 113.498 114.554 0.027 0.000 3.072 429 T HA 0.165 4.515 4.350 0.000 0.000 0.266 429 T C 1.655 176.378 174.700 0.039 0.000 1.127 429 T CA 0.976 63.094 62.100 0.030 0.000 1.107 429 T CB -0.622 68.254 68.868 0.014 0.000 0.910 429 T HN 0.441 nan 8.240 nan 0.000 0.513 430 G N 1.085 109.920 108.800 0.057 0.000 2.985 430 G HA2 0.129 4.089 3.960 0.000 0.000 0.209 430 G HA3 0.129 4.089 3.960 0.000 0.000 0.209 430 G C 0.471 175.392 174.900 0.035 0.000 1.165 430 G CA -0.545 44.591 45.100 0.061 0.000 0.776 430 G HN 0.394 nan 8.290 nan 0.000 0.541 431 N N 1.197 119.913 118.700 0.027 0.000 2.463 431 N HA 0.280 5.020 4.740 0.000 0.000 0.270 431 N C -2.540 172.980 175.510 0.017 0.000 1.205 431 N CA -1.467 51.593 53.050 0.018 0.000 0.974 431 N CB 0.980 39.474 38.487 0.013 0.000 1.197 431 N HN -0.041 nan 8.380 nan 0.000 0.504 432 P HA -0.002 nan 4.420 nan 0.000 0.262 432 P C -0.382 176.925 177.300 0.012 0.000 1.182 432 P CA 0.306 63.413 63.100 0.011 0.000 0.761 432 P CB 0.350 32.055 31.700 0.007 0.000 0.795 433 S N 1.645 117.354 115.700 0.014 0.000 2.576 433 S HA 0.399 4.869 4.470 0.000 0.000 0.276 433 S C 1.132 175.735 174.600 0.004 0.000 1.339 433 S CA -0.066 58.142 58.200 0.013 0.000 1.039 433 S CB 0.576 63.788 63.200 0.020 0.000 0.902 433 S HN 0.653 nan 8.310 nan 0.000 0.516 434 G N 0.000 108.797 108.800 -0.005 0.000 5.446 434 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 434 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 434 G CA 0.000 45.092 45.100 -0.014 0.000 0.502 434 G HN 0.000 nan 8.290 nan 0.000 0.925