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 1aso_1_A DATA FIRST_RESID 1 DATA SEQUENCE SQIRHYKWEV EYMFWAPNcN ENIVMGINGQ FPGPTIRANA GDSVVVELTN DATA SEQUENCE KLHTEGVVIH WHGILQRGTP WADGTASISQ cAINPGETFF YNFTVDNPGT DATA SEQUENCE FFYHGHLGMQ RSAGLYGSLI VDPPQGKKEP FHYDGEINLL LSDWWHQSIH DATA SEQUENCE KQEVGLSSKP IRWIGEPQTI LLNGRGQFDc SIAAKYDSNL EPcKLKGSES DATA SEQUENCE cAPYIFHVSP KKTYRIRIAS TTALAALNFA IGNHQLLVVE ADGNYVQPFY DATA SEQUENCE TSDIDIYSGE SYSVLITTDQ NPSENYWVSV GTRARHPNTP PGLTLLNYLP DATA SEQUENCE NSVSKLPTSP PPQTPAWDDF DRSKNFTYRI TAAMGSPKPP VKFNRRIFLL DATA SEQUENCE NTQNVINGYV KWAINDVSLA LPPTPYLGAM KYNLLHAFDQ NPPPEVFPED DATA SEQUENCE YDIDTPPTNE KTRIGNGVYQ FKIGEVVDVI LQNANMMKEN LSETHPWHLH DATA SEQUENCE GHDFWVLGYG DGKFSAEEES SLNLKNPPLR NTVVIFPYGW TAIRFVADNP DATA SEQUENCE GVWAFHCHIE PHLHMGMGVV FAEGVEKVGR IPTKALAcGG TAKSLINNPK DATA SEQUENCE NP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.586 174.600 -0.023 0.000 1.055 1 S CA 0.000 58.190 58.200 -0.016 0.000 1.107 1 S CB 0.000 63.189 63.200 -0.019 0.000 0.593 2 Q N 1.158 120.942 119.800 -0.026 0.000 2.240 2 Q HA 0.629 4.971 4.340 0.003 0.000 0.260 2 Q C -0.610 175.360 176.000 -0.050 0.000 1.018 2 Q CA -0.666 55.117 55.803 -0.033 0.000 0.898 2 Q CB 1.745 30.466 28.738 -0.028 0.000 1.301 2 Q HN 0.717 nan 8.270 nan 0.000 0.469 3 I N 2.029 122.565 120.570 -0.056 0.000 2.354 3 I HA 0.260 4.432 4.170 0.003 0.000 0.292 3 I C -0.060 176.003 176.117 -0.089 0.000 0.989 3 I CA -0.733 60.521 61.300 -0.077 0.000 1.188 3 I CB 0.888 38.852 38.000 -0.060 0.000 1.342 3 I HN 0.085 nan 8.210 nan 0.000 0.457 4 R N 5.225 125.652 120.500 -0.122 0.000 2.215 4 R HA 0.312 4.654 4.340 0.003 0.000 0.337 4 R C -0.726 175.403 176.300 -0.286 0.000 1.010 4 R CA -0.608 55.389 56.100 -0.170 0.000 0.871 4 R CB 0.511 30.787 30.300 -0.040 0.000 1.134 4 R HN 0.594 nan 8.270 nan 0.000 0.477 5 H N 2.054 120.838 119.070 -0.476 0.000 2.459 5 H HA 0.388 4.946 4.556 0.003 0.000 0.332 5 H C -0.948 173.937 175.328 -0.737 0.000 1.094 5 H CA -0.448 55.343 56.048 -0.429 0.000 1.224 5 H CB 0.750 30.376 29.762 -0.226 0.000 1.449 5 H HN 0.400 nan 8.280 nan 0.000 0.484 6 Y N 2.834 123.062 120.300 -0.119 0.000 2.485 6 Y HA 0.332 4.884 4.550 0.003 0.000 0.345 6 Y C -0.236 175.558 175.900 -0.176 0.000 0.998 6 Y CA -0.981 56.971 58.100 -0.248 0.000 1.059 6 Y CB 1.819 39.797 38.460 -0.803 0.000 1.234 6 Y HN 0.423 nan 8.280 nan 0.000 0.461 7 K N 2.914 123.368 120.400 0.090 0.000 2.545 7 K HA 0.337 4.658 4.320 0.003 0.000 0.252 7 K C -2.230 174.576 176.600 0.343 0.000 0.948 7 K CA -0.411 55.962 56.287 0.143 0.000 0.827 7 K CB 1.003 33.593 32.500 0.149 0.000 1.128 7 K HN 0.659 nan 8.250 nan 0.000 0.429 8 W N 1.855 123.206 121.300 0.086 0.000 2.936 8 W HA 0.420 5.082 4.660 0.003 0.000 0.338 8 W C -0.442 176.099 176.519 0.037 0.000 1.121 8 W CA -0.767 56.618 57.345 0.066 0.000 1.209 8 W CB 1.559 31.056 29.460 0.062 0.000 1.420 8 W HN 0.451 nan 8.180 nan 0.000 0.516 9 E N 1.293 121.618 120.200 0.209 0.000 2.210 9 E HA 0.483 4.835 4.350 0.003 0.000 0.266 9 E C -1.113 175.502 176.600 0.025 0.000 0.883 9 E CA -0.906 55.554 56.400 0.100 0.000 0.761 9 E CB 2.777 32.512 29.700 0.057 0.000 1.156 9 E HN -0.003 nan 8.360 nan 0.000 0.412 10 V N 2.708 122.622 119.914 0.000 0.000 2.407 10 V HA 0.383 4.504 4.120 0.003 0.000 0.278 10 V C -0.085 175.931 176.094 -0.128 0.000 1.037 10 V CA -0.282 61.970 62.300 -0.081 0.000 0.900 10 V CB 1.189 32.963 31.823 -0.081 0.000 0.983 10 V HN 0.738 nan 8.190 nan 0.000 0.459 11 E N 2.946 123.044 120.200 -0.170 0.000 2.372 11 E HA 0.486 4.838 4.350 0.003 0.000 0.279 11 E C -1.763 174.727 176.600 -0.184 0.000 0.946 11 E CA -0.689 55.612 56.400 -0.165 0.000 0.769 11 E CB 1.698 31.351 29.700 -0.078 0.000 1.230 11 E HN 0.510 nan 8.360 nan 0.000 0.442 12 Y N 2.786 123.039 120.300 -0.078 0.000 2.314 12 Y HA 0.408 4.960 4.550 0.003 0.000 0.334 12 Y C 0.584 176.421 175.900 -0.105 0.000 1.266 12 Y CA 0.120 58.167 58.100 -0.089 0.000 1.391 12 Y CB 0.975 39.382 38.460 -0.089 0.000 1.306 12 Y HN 0.488 nan 8.280 nan 0.000 0.558 13 M N 0.411 120.053 119.600 0.070 0.000 2.534 13 M HA 0.493 4.974 4.480 0.003 0.000 0.280 13 M C -2.040 174.238 176.300 -0.036 0.000 1.217 13 M CA -0.870 54.436 55.300 0.009 0.000 0.893 13 M CB 1.657 34.317 32.600 0.100 0.000 1.730 13 M HN 0.264 nan 8.290 nan 0.000 0.483 14 F N 2.180 122.230 119.950 0.168 0.000 2.484 14 F HA 0.515 5.044 4.527 0.003 0.000 0.360 14 F C -0.130 175.818 175.800 0.245 0.000 1.101 14 F CA 0.790 58.877 58.000 0.145 0.000 1.251 14 F CB 0.607 39.655 39.000 0.079 0.000 1.132 14 F HN 0.493 nan 8.300 nan 0.000 0.570 15 W N 1.734 123.102 121.300 0.113 0.000 3.146 15 W HA 0.606 5.267 4.660 0.003 0.000 0.319 15 W C -1.772 174.712 176.519 -0.059 0.000 1.258 15 W CA -1.348 55.992 57.345 -0.009 0.000 1.189 15 W CB 2.091 31.467 29.460 -0.140 0.000 1.412 15 W HN 0.442 nan 8.180 nan 0.000 0.567 16 A N 4.893 127.381 122.820 -0.552 0.000 2.893 16 A HA 0.487 4.809 4.320 0.003 0.000 0.333 16 A C -2.228 175.204 177.584 -0.252 0.000 1.152 16 A CA -1.230 50.626 52.037 -0.302 0.000 0.782 16 A CB 1.114 19.950 19.000 -0.272 0.000 1.108 16 A HN 0.204 nan 8.150 nan 0.000 0.469 17 P HA -0.158 nan 4.420 nan 0.000 0.216 17 P C 0.717 177.992 177.300 -0.042 0.000 1.150 17 P CA 1.680 64.740 63.100 -0.068 0.000 0.837 17 P CB 0.062 31.445 31.700 -0.529 0.000 0.786 18 N N -2.731 115.930 118.700 -0.066 0.000 2.401 18 N HA 0.169 4.910 4.740 0.003 0.000 0.264 18 N C -0.520 175.025 175.510 0.057 0.000 1.238 18 N CA -0.401 52.685 53.050 0.060 0.000 0.889 18 N CB -0.451 38.151 38.487 0.191 0.000 1.196 18 N HN -0.139 nan 8.380 nan 0.000 0.511 19 c N 0.420 119.005 118.600 -0.025 0.000 4.397 19 c HA -0.160 4.412 4.570 0.003 0.000 0.291 19 c C -0.376 173.687 174.090 -0.044 0.000 1.408 19 c CA 0.183 56.482 56.329 -0.049 0.000 1.971 19 c CB -2.755 39.749 42.510 -0.010 0.000 1.258 19 c HN 0.670 nan 8.230 nan 0.000 0.795 20 N N 0.667 119.328 118.700 -0.065 0.000 2.399 20 N HA 0.301 5.043 4.740 0.003 0.000 0.280 20 N C -0.510 174.943 175.510 -0.095 0.000 1.008 20 N CA -0.276 52.707 53.050 -0.112 0.000 0.894 20 N CB 1.476 39.803 38.487 -0.268 0.000 1.273 20 N HN 0.612 nan 8.380 nan 0.000 0.486 21 E N 2.097 122.255 120.200 -0.069 0.000 2.338 21 E HA 0.117 4.469 4.350 0.003 0.000 0.272 21 E C -0.696 175.952 176.600 0.081 0.000 1.029 21 E CA -0.061 56.336 56.400 -0.004 0.000 0.872 21 E CB 0.627 30.318 29.700 -0.015 0.000 1.015 21 E HN 0.455 nan 8.360 nan 0.000 0.417 22 N N 2.586 121.395 118.700 0.183 0.000 3.418 22 N HA 0.377 5.119 4.740 0.003 0.000 0.316 22 N C -1.358 174.295 175.510 0.238 0.000 1.601 22 N CA -0.569 52.620 53.050 0.233 0.000 0.805 22 N CB 1.009 39.711 38.487 0.359 0.000 1.873 22 N HN 0.513 nan 8.380 nan 0.000 0.615 23 I N -1.064 119.594 120.570 0.146 0.000 2.562 23 I HA 0.703 4.875 4.170 0.003 0.000 0.301 23 I C -0.340 175.870 176.117 0.156 0.000 1.003 23 I CA -0.740 60.577 61.300 0.028 0.000 1.127 23 I CB 1.798 39.679 38.000 -0.199 0.000 1.304 23 I HN 0.036 nan 8.210 nan 0.000 0.446 24 V N 5.688 125.665 119.914 0.105 0.000 3.001 24 V HA 0.460 4.582 4.120 0.003 0.000 0.314 24 V C -0.348 175.777 176.094 0.052 0.000 1.099 24 V CA -0.976 61.318 62.300 -0.011 0.000 0.989 24 V CB 2.383 33.945 31.823 -0.436 0.000 1.040 24 V HN 0.829 nan 8.190 nan 0.000 0.434 25 M N 3.121 122.699 119.600 -0.037 0.000 2.077 25 M HA 0.557 5.039 4.480 0.003 0.000 0.348 25 M C 0.224 176.423 176.300 -0.168 0.000 1.252 25 M CA -0.089 55.103 55.300 -0.180 0.000 1.096 25 M CB 0.518 32.971 32.600 -0.244 0.000 1.568 25 M HN 0.801 nan 8.290 nan 0.000 0.456 26 G N 5.072 113.771 108.800 -0.168 0.000 2.434 26 G HA2 0.730 4.691 3.960 0.003 0.000 0.330 26 G HA3 0.730 4.691 3.960 0.003 0.000 0.330 26 G C -0.969 173.821 174.900 -0.184 0.000 1.155 26 G CA -0.690 44.309 45.100 -0.168 0.000 0.917 26 G HN 0.735 nan 8.290 nan 0.000 0.493 27 I N 1.166 121.599 120.570 -0.229 0.000 2.418 27 I HA 0.194 4.366 4.170 0.003 0.000 0.287 27 I C -0.326 175.647 176.117 -0.240 0.000 1.008 27 I CA -0.779 60.355 61.300 -0.277 0.000 1.104 27 I CB 1.804 39.486 38.000 -0.529 0.000 1.264 27 I HN 0.452 nan 8.210 nan 0.000 0.438 28 N N 4.875 123.501 118.700 -0.125 0.000 2.721 28 N HA -0.201 4.541 4.740 0.003 0.000 0.249 28 N C 0.946 176.426 175.510 -0.050 0.000 1.072 28 N CA 1.404 54.424 53.050 -0.050 0.000 0.710 28 N CB -0.988 37.485 38.487 -0.024 0.000 0.993 28 N HN 1.159 nan 8.380 nan 0.000 0.547 29 G N -1.945 106.819 108.800 -0.061 0.000 2.162 29 G HA2 -0.337 3.625 3.960 0.003 0.000 0.260 29 G HA3 -0.337 3.625 3.960 0.003 0.000 0.260 29 G C -0.199 174.630 174.900 -0.118 0.000 0.976 29 G CA 0.641 45.715 45.100 -0.042 0.000 0.655 29 G HN 0.461 nan 8.290 nan 0.000 0.533 30 Q N -0.833 118.856 119.800 -0.183 0.000 2.274 30 Q HA 0.755 5.097 4.340 0.003 0.000 0.260 30 Q C -0.940 174.856 176.000 -0.340 0.000 0.974 30 Q CA -0.847 54.798 55.803 -0.263 0.000 0.876 30 Q CB 2.075 30.684 28.738 -0.215 0.000 1.297 30 Q HN 0.516 nan 8.270 nan 0.000 0.446 31 F N 2.427 121.971 119.950 -0.676 0.000 2.562 31 F HA 0.508 5.036 4.527 0.003 0.000 0.319 31 F C -2.530 172.973 175.800 -0.495 0.000 1.154 31 F CA -2.203 55.387 58.000 -0.683 0.000 0.931 31 F CB 1.385 39.769 39.000 -1.026 0.000 1.198 31 F HN 0.326 nan 8.300 nan 0.000 0.444 32 P HA 0.281 nan 4.420 nan 0.000 0.272 32 P C -0.021 177.003 177.300 -0.459 0.000 1.254 32 P CA -0.182 62.392 63.100 -0.876 0.000 0.795 32 P CB 0.413 31.742 31.700 -0.619 0.000 1.022 33 G N 0.264 108.855 108.800 -0.348 0.000 2.716 33 G HA2 0.264 4.225 3.960 0.003 0.000 0.251 33 G HA3 0.264 4.225 3.960 0.003 0.000 0.251 33 G C -2.379 172.414 174.900 -0.178 0.000 1.224 33 G CA -0.710 44.235 45.100 -0.258 0.000 0.891 33 G HN 0.337 nan 8.290 nan 0.000 0.561 34 P HA 0.185 nan 4.420 nan 0.000 0.269 34 P C 0.066 177.482 177.300 0.194 0.000 1.209 34 P CA 0.054 63.156 63.100 0.003 0.000 0.776 34 P CB 0.586 32.319 31.700 0.055 0.000 0.876 35 T N 3.451 118.114 114.554 0.181 0.000 2.851 35 T HA 0.315 4.667 4.350 0.003 0.000 0.298 35 T C 0.594 175.431 174.700 0.229 0.000 0.977 35 T CA -0.080 62.146 62.100 0.210 0.000 1.126 35 T CB -0.060 68.887 68.868 0.133 0.000 0.916 35 T HN 0.200 nan 8.240 nan 0.000 0.529 36 I N 3.294 123.990 120.570 0.210 0.000 2.365 36 I HA 0.456 4.628 4.170 0.003 0.000 0.291 36 I C 0.533 176.747 176.117 0.161 0.000 1.004 36 I CA -0.509 60.807 61.300 0.027 0.000 1.311 36 I CB 1.108 39.045 38.000 -0.106 0.000 1.401 36 I HN 0.381 nan 8.210 nan 0.000 0.491 37 R N 4.737 125.359 120.500 0.202 0.000 2.686 37 R HA 0.872 5.214 4.340 0.003 0.000 0.286 37 R C -1.454 174.943 176.300 0.161 0.000 0.969 37 R CA -0.347 55.856 56.100 0.170 0.000 0.898 37 R CB 2.089 32.479 30.300 0.151 0.000 1.183 37 R HN 0.787 nan 8.270 nan 0.000 0.456 38 A N 2.694 125.590 122.820 0.127 0.000 2.568 38 A HA 0.519 4.841 4.320 0.003 0.000 0.291 38 A C -1.614 176.017 177.584 0.079 0.000 1.159 38 A CA -1.005 51.087 52.037 0.091 0.000 0.679 38 A CB 1.626 20.664 19.000 0.064 0.000 1.285 38 A HN 0.827 nan 8.150 nan 0.000 0.428 39 N N -0.182 118.550 118.700 0.053 0.000 2.370 39 N HA 0.592 5.333 4.740 0.003 0.000 0.303 39 N C -0.215 175.320 175.510 0.042 0.000 1.103 39 N CA -0.335 52.744 53.050 0.049 0.000 0.848 39 N CB 1.926 40.432 38.487 0.032 0.000 1.235 39 N HN 0.959 nan 8.380 nan 0.000 0.496 40 A N 0.619 123.468 122.820 0.049 0.000 2.511 40 A HA 0.457 4.779 4.320 0.003 0.000 0.242 40 A C 1.394 178.989 177.584 0.018 0.000 1.069 40 A CA 0.803 52.864 52.037 0.039 0.000 0.763 40 A CB -0.762 18.267 19.000 0.048 0.000 1.001 40 A HN 0.989 nan 8.150 nan 0.000 0.498 41 G N 1.985 110.788 108.800 0.005 0.000 2.213 41 G HA2 -0.171 3.791 3.960 0.003 0.000 0.226 41 G HA3 -0.171 3.791 3.960 0.003 0.000 0.226 41 G C -0.079 174.809 174.900 -0.020 0.000 0.992 41 G CA 0.254 45.349 45.100 -0.007 0.000 0.632 41 G HN 0.797 nan 8.290 nan 0.000 0.511 42 D N 0.985 121.370 120.400 -0.024 0.000 2.344 42 D HA 0.585 5.227 4.640 0.003 0.000 0.244 42 D C 0.472 176.718 176.300 -0.091 0.000 1.134 42 D CA 0.310 54.281 54.000 -0.047 0.000 0.930 42 D CB 1.279 42.057 40.800 -0.038 0.000 1.175 42 D HN 0.140 nan 8.370 nan 0.000 0.437 43 S N -0.043 115.585 115.700 -0.120 0.000 2.541 43 S HA 0.521 4.993 4.470 0.003 0.000 0.283 43 S C -0.265 174.164 174.600 -0.286 0.000 1.196 43 S CA -0.781 57.302 58.200 -0.196 0.000 1.062 43 S CB 1.358 64.467 63.200 -0.152 0.000 1.009 43 S HN 0.144 nan 8.310 nan 0.000 0.502 44 V N 3.131 122.724 119.914 -0.535 0.000 2.540 44 V HA 0.511 4.633 4.120 0.003 0.000 0.302 44 V C -0.655 175.020 176.094 -0.699 0.000 1.035 44 V CA -0.615 61.303 62.300 -0.637 0.000 0.873 44 V CB 1.855 33.077 31.823 -1.002 0.000 0.992 44 V HN 0.648 nan 8.190 nan 0.000 0.428 45 V N 5.502 125.139 119.914 -0.460 0.000 2.407 45 V HA 0.465 4.587 4.120 0.003 0.000 0.291 45 V C -0.459 175.371 176.094 -0.439 0.000 1.018 45 V CA -0.492 61.566 62.300 -0.404 0.000 0.842 45 V CB 2.024 33.603 31.823 -0.407 0.000 0.996 45 V HN 0.613 nan 8.190 nan 0.000 0.426 46 V N 5.668 125.382 119.914 -0.334 0.000 2.357 46 V HA 0.432 4.554 4.120 0.003 0.000 0.284 46 V C -0.016 175.929 176.094 -0.248 0.000 1.018 46 V CA -0.684 61.411 62.300 -0.342 0.000 0.841 46 V CB 1.757 33.360 31.823 -0.366 0.000 0.991 46 V HN 1.004 nan 8.190 nan 0.000 0.437 47 E N 5.195 125.164 120.200 -0.384 0.000 2.134 47 E HA 0.633 4.984 4.350 0.003 0.000 0.278 47 E C -1.061 175.431 176.600 -0.180 0.000 0.959 47 E CA -0.841 55.200 56.400 -0.598 0.000 0.783 47 E CB 2.285 31.406 29.700 -0.965 0.000 1.095 47 E HN 0.415 nan 8.360 nan 0.000 0.399 48 L N 2.886 124.095 121.223 -0.024 0.000 2.305 48 L HA 0.386 4.728 4.340 0.003 0.000 0.284 48 L C -0.911 176.028 176.870 0.115 0.000 1.013 48 L CA -0.073 54.870 54.840 0.172 0.000 0.819 48 L CB 2.023 44.301 42.059 0.365 0.000 1.227 48 L HN 0.569 nan 8.230 nan 0.000 0.417 49 T N 4.512 119.129 114.554 0.105 0.000 2.795 49 T HA 0.268 4.620 4.350 0.003 0.000 0.282 49 T C -0.145 174.598 174.700 0.071 0.000 0.980 49 T CA -0.247 61.898 62.100 0.074 0.000 1.012 49 T CB 0.458 69.360 68.868 0.057 0.000 0.936 49 T HN 0.655 nan 8.240 nan 0.000 0.457 50 N N 2.673 121.405 118.700 0.053 0.000 2.406 50 N HA 0.156 4.898 4.740 0.003 0.000 0.251 50 N C 0.178 175.680 175.510 -0.013 0.000 1.069 50 N CA -0.352 52.709 53.050 0.020 0.000 0.947 50 N CB 0.210 38.710 38.487 0.022 0.000 1.111 50 N HN 0.421 nan 8.380 nan 0.000 0.497 51 K N 3.973 124.342 120.400 -0.051 0.000 2.861 51 K HA 0.248 4.570 4.320 0.003 0.000 0.210 51 K C -0.464 176.015 176.600 -0.202 0.000 1.112 51 K CA -0.268 55.959 56.287 -0.100 0.000 1.076 51 K CB 0.491 32.947 32.500 -0.074 0.000 0.853 51 K HN 0.457 nan 8.250 nan 0.000 0.463 52 L N -0.072 121.056 121.223 -0.159 0.000 2.421 52 L HA 0.228 4.570 4.340 0.003 0.000 0.263 52 L C 1.279 178.060 176.870 -0.148 0.000 1.122 52 L CA -0.444 54.303 54.840 -0.156 0.000 0.804 52 L CB 0.646 42.661 42.059 -0.073 0.000 1.150 52 L HN 0.268 nan 8.230 nan 0.000 0.457 53 H N -0.666 118.461 119.070 0.094 0.000 2.384 53 H HA -0.065 4.493 4.556 0.003 0.000 0.300 53 H C 1.460 176.819 175.328 0.052 0.000 1.057 53 H CA 1.678 57.764 56.048 0.064 0.000 1.370 53 H CB 0.346 30.141 29.762 0.056 0.000 1.417 53 H HN 0.784 nan 8.280 nan 0.000 0.527 54 T N -2.669 111.986 114.554 0.169 0.000 3.004 54 T HA 0.214 4.566 4.350 0.003 0.000 0.266 54 T C 0.396 175.146 174.700 0.084 0.000 0.986 54 T CA -0.344 61.820 62.100 0.106 0.000 0.902 54 T CB 0.588 69.508 68.868 0.087 0.000 1.118 54 T HN 0.104 nan 8.240 nan 0.000 0.522 55 E N 1.115 121.372 120.200 0.095 0.000 2.204 55 E HA 0.578 4.930 4.350 0.003 0.000 0.276 55 E C 0.256 176.880 176.600 0.041 0.000 0.974 55 E CA -1.007 55.441 56.400 0.080 0.000 0.815 55 E CB 1.576 31.348 29.700 0.120 0.000 1.119 55 E HN 0.431 nan 8.360 nan 0.000 0.393 56 G N 0.751 109.569 108.800 0.029 0.000 2.599 56 G HA2 0.424 4.385 3.960 0.003 0.000 0.264 56 G HA3 0.424 4.385 3.960 0.003 0.000 0.264 56 G C -0.865 174.038 174.900 0.005 0.000 1.200 56 G CA -0.239 44.866 45.100 0.009 0.000 0.896 56 G HN 0.322 nan 8.290 nan 0.000 0.536 57 V N -0.418 119.495 119.914 -0.002 0.000 3.120 57 V HA 0.709 4.830 4.120 0.003 0.000 0.303 57 V C -0.779 175.329 176.094 0.023 0.000 1.238 57 V CA -0.198 62.106 62.300 0.006 0.000 1.008 57 V CB 2.278 34.098 31.823 -0.005 0.000 1.064 57 V HN 1.302 nan 8.190 nan 0.000 0.434 58 V N 2.740 122.681 119.914 0.045 0.000 3.188 58 V HA 0.736 4.858 4.120 0.003 0.000 0.305 58 V C -1.112 174.992 176.094 0.017 0.000 1.232 58 V CA -0.797 61.558 62.300 0.092 0.000 1.043 58 V CB 2.136 34.008 31.823 0.082 0.000 1.068 58 V HN 0.757 nan 8.190 nan 0.000 0.439 59 I N 1.730 122.218 120.570 -0.137 0.000 2.499 59 I HA 0.491 4.663 4.170 0.003 0.000 0.288 59 I C -1.107 174.505 176.117 -0.842 0.000 1.048 59 I CA -0.477 60.523 61.300 -0.500 0.000 1.062 59 I CB 1.952 39.483 38.000 -0.781 0.000 1.238 59 I HN 0.946 nan 8.210 nan 0.000 0.426 60 H N 5.488 124.109 119.070 -0.749 0.000 2.473 60 H HA 0.378 4.936 4.556 0.003 0.000 0.327 60 H C -1.604 173.138 175.328 -0.977 0.000 1.105 60 H CA -0.564 55.039 56.048 -0.741 0.000 1.280 60 H CB 0.836 30.362 29.762 -0.392 0.000 1.450 60 H HN 0.361 nan 8.280 nan 0.000 0.492 61 W N 5.187 125.877 121.300 -1.017 0.000 2.295 61 W HA 0.204 4.866 4.660 0.003 0.000 0.333 61 W C -0.085 175.851 176.519 -0.972 0.000 0.990 61 W CA -0.873 56.003 57.345 -0.782 0.000 1.453 61 W CB -0.191 28.798 29.460 -0.786 0.000 1.263 61 W HN 0.675 nan 8.180 nan 0.000 0.380 62 H N 1.990 120.582 119.070 -0.797 0.000 2.975 62 H HA 0.344 4.902 4.556 0.003 0.000 0.303 62 H C 1.409 176.501 175.328 -0.393 0.000 1.023 62 H CA 1.467 57.163 56.048 -0.587 0.000 1.473 62 H CB 0.431 29.695 29.762 -0.829 0.000 1.498 62 H HN 0.828 nan 8.280 nan 0.000 0.549 63 G N 4.662 113.412 108.800 -0.083 0.000 2.213 63 G HA2 -0.228 3.734 3.960 0.003 0.000 0.226 63 G HA3 -0.228 3.734 3.960 0.003 0.000 0.226 63 G C -0.118 174.484 174.900 -0.497 0.000 0.992 63 G CA 0.017 45.048 45.100 -0.115 0.000 0.632 63 G HN 0.518 nan 8.290 nan 0.000 0.511 64 I N 1.828 122.086 120.570 -0.521 0.000 2.396 64 I HA 0.369 4.540 4.170 0.003 0.000 0.292 64 I C 1.854 177.731 176.117 -0.399 0.000 0.999 64 I CA -0.649 60.324 61.300 -0.545 0.000 1.310 64 I CB 1.144 38.792 38.000 -0.586 0.000 1.404 64 I HN 0.029 nan 8.210 nan 0.000 0.496 65 L N 4.726 125.727 121.223 -0.370 0.000 2.395 65 L HA -0.039 4.303 4.340 0.003 0.000 0.218 65 L C 0.747 177.426 176.870 -0.319 0.000 1.130 65 L CA 0.257 54.865 54.840 -0.386 0.000 0.826 65 L CB -0.295 41.544 42.059 -0.366 0.000 0.941 65 L HN 0.587 nan 8.230 nan 0.000 0.451 66 Q N 0.022 119.700 119.800 -0.202 0.000 2.480 66 Q HA -0.240 4.102 4.340 0.003 0.000 0.265 66 Q C 0.335 176.338 176.000 0.004 0.000 1.072 66 Q CA 0.724 56.481 55.803 -0.077 0.000 1.018 66 Q CB -1.731 27.065 28.738 0.097 0.000 1.433 66 Q HN 0.487 nan 8.270 nan 0.000 0.513 67 R N 0.296 120.756 120.500 -0.068 0.000 2.483 67 R HA 0.167 4.508 4.340 0.003 0.000 0.329 67 R C 1.510 177.815 176.300 0.008 0.000 0.961 67 R CA 1.591 57.673 56.100 -0.031 0.000 1.041 67 R CB -0.371 29.882 30.300 -0.079 0.000 0.930 67 R HN 0.472 nan 8.270 nan 0.000 0.413 68 G N 2.468 111.302 108.800 0.057 0.000 2.253 68 G HA2 -0.324 3.638 3.960 0.003 0.000 0.251 68 G HA3 -0.324 3.638 3.960 0.003 0.000 0.251 68 G C 0.339 175.267 174.900 0.046 0.000 0.998 68 G CA 0.536 45.678 45.100 0.068 0.000 0.621 68 G HN 0.717 nan 8.290 nan 0.000 0.524 69 T N -1.519 112.975 114.554 -0.099 0.000 3.532 69 T HA 0.636 4.988 4.350 0.003 0.000 0.241 69 T C -1.006 173.367 174.700 -0.544 0.000 1.238 69 T CA -0.365 61.425 62.100 -0.516 0.000 1.405 69 T CB 1.896 70.384 68.868 -0.634 0.000 0.971 69 T HN 0.216 nan 8.240 nan 0.000 0.640 70 P HA -0.083 nan 4.420 nan 0.000 0.222 70 P C 1.723 178.966 177.300 -0.095 0.000 1.147 70 P CA 0.671 63.700 63.100 -0.118 0.000 0.790 70 P CB -0.240 31.350 31.700 -0.184 0.000 0.780 71 W N 0.218 121.571 121.300 0.087 0.000 2.468 71 W HA 0.177 4.839 4.660 0.003 0.000 0.262 71 W C 0.980 177.656 176.519 0.263 0.000 1.241 71 W CA 0.618 58.047 57.345 0.140 0.000 1.232 71 W CB -1.477 28.070 29.460 0.144 0.000 1.124 71 W HN -0.044 nan 8.180 nan 0.000 0.597 72 A N 0.691 123.458 122.820 -0.089 0.000 2.423 72 A HA 0.048 4.370 4.320 0.003 0.000 0.246 72 A C 1.370 179.176 177.584 0.370 0.000 1.278 72 A CA 0.636 52.797 52.037 0.206 0.000 0.903 72 A CB -0.616 18.215 19.000 -0.282 0.000 0.997 72 A HN 0.105 nan 8.150 nan 0.000 0.510 73 D N 0.203 120.758 120.400 0.258 0.000 2.264 73 D HA 0.072 4.714 4.640 0.003 0.000 0.208 73 D C 1.405 177.903 176.300 0.330 0.000 0.966 73 D CA 1.551 55.734 54.000 0.304 0.000 0.864 73 D CB -0.113 40.876 40.800 0.316 0.000 0.933 73 D HN 0.591 nan 8.370 nan 0.000 0.499 74 G N 0.433 109.442 108.800 0.348 0.000 2.212 74 G HA2 -0.216 3.746 3.960 0.003 0.000 0.255 74 G HA3 -0.216 3.746 3.960 0.003 0.000 0.255 74 G C 0.123 175.063 174.900 0.066 0.000 1.062 74 G CA 0.576 45.817 45.100 0.236 0.000 0.815 74 G HN 0.551 nan 8.290 nan 0.000 0.497 75 T N -2.004 112.548 114.554 -0.004 0.000 2.809 75 T HA 0.794 5.146 4.350 0.003 0.000 0.296 75 T C 0.405 175.074 174.700 -0.051 0.000 1.015 75 T CA 0.300 62.298 62.100 -0.171 0.000 0.954 75 T CB 1.892 70.553 68.868 -0.346 0.000 0.950 75 T HN 1.753 nan 8.240 nan 0.000 0.450 76 A N 2.821 125.640 122.820 -0.002 0.000 2.540 76 A HA 0.508 4.830 4.320 0.003 0.000 0.239 76 A C 1.362 178.930 177.584 -0.027 0.000 1.061 76 A CA 0.180 52.212 52.037 -0.009 0.000 0.758 76 A CB -0.764 18.241 19.000 0.008 0.000 0.991 76 A HN 1.666 nan 8.150 nan 0.000 0.502 77 S N 0.244 115.913 115.700 -0.052 0.000 2.981 77 S HA -0.213 4.259 4.470 0.003 0.000 0.274 77 S C 0.902 175.455 174.600 -0.079 0.000 1.297 77 S CA 1.731 59.872 58.200 -0.098 0.000 1.266 77 S CB -1.927 61.203 63.200 -0.117 0.000 1.542 77 S HN 0.731 nan 8.310 nan 0.000 0.674 78 I N 0.270 120.836 120.570 -0.006 0.000 3.632 78 I HA 0.044 4.216 4.170 0.003 0.000 0.246 78 I C 2.111 178.231 176.117 0.005 0.000 1.125 78 I CA 0.845 62.190 61.300 0.075 0.000 1.519 78 I CB -0.277 37.734 38.000 0.019 0.000 1.555 78 I HN 0.328 nan 8.210 nan 0.000 0.452 79 S N 0.317 116.003 115.700 -0.024 0.000 2.439 79 S HA 0.049 4.521 4.470 0.003 0.000 0.224 79 S C 0.636 175.280 174.600 0.073 0.000 1.029 79 S CA -0.119 58.086 58.200 0.008 0.000 0.946 79 S CB -0.248 62.975 63.200 0.038 0.000 0.797 79 S HN 0.580 nan 8.310 nan 0.000 0.504 80 Q N -1.106 118.717 119.800 0.038 0.000 2.534 80 Q HA 0.567 4.908 4.340 0.003 0.000 0.290 80 Q C -1.470 174.507 176.000 -0.039 0.000 0.991 80 Q CA -1.125 54.689 55.803 0.018 0.000 0.783 80 Q CB 0.872 29.595 28.738 -0.025 0.000 1.470 80 Q HN 0.136 nan 8.270 nan 0.000 0.406 81 c N 1.769 120.339 118.600 -0.050 0.000 2.662 81 c HA 0.600 5.172 4.570 0.003 0.000 0.420 81 c C 1.104 175.123 174.090 -0.118 0.000 1.314 81 c CA 0.193 56.482 56.329 -0.067 0.000 1.963 81 c CB -0.265 42.216 42.510 -0.048 0.000 2.686 81 c HN 0.797 nan 8.230 nan 0.000 0.609 82 A N 3.796 126.561 122.820 -0.091 0.000 2.429 82 A HA 0.470 4.792 4.320 0.003 0.000 0.242 82 A C -0.033 177.475 177.584 -0.126 0.000 1.088 82 A CA -0.106 51.871 52.037 -0.100 0.000 0.784 82 A CB 0.077 19.050 19.000 -0.046 0.000 1.038 82 A HN 0.791 nan 8.150 nan 0.000 0.501 83 I N 1.713 122.206 120.570 -0.128 0.000 2.395 83 I HA 0.117 4.288 4.170 0.003 0.000 0.289 83 I C -0.088 176.015 176.117 -0.024 0.000 1.023 83 I CA -0.496 60.749 61.300 -0.092 0.000 1.350 83 I CB 0.696 38.655 38.000 -0.067 0.000 1.409 83 I HN 0.530 nan 8.210 nan 0.000 0.507 84 N N 7.439 126.137 118.700 -0.003 0.000 2.503 84 N HA 0.265 5.007 4.740 0.003 0.000 0.267 84 N C -2.460 173.063 175.510 0.020 0.000 1.214 84 N CA -1.728 51.328 53.050 0.011 0.000 0.959 84 N CB 0.084 38.581 38.487 0.016 0.000 1.142 84 N HN 0.238 nan 8.380 nan 0.000 0.455 85 P HA 0.023 nan 4.420 nan 0.000 0.263 85 P C 0.799 178.116 177.300 0.029 0.000 1.175 85 P CA 0.874 63.987 63.100 0.021 0.000 0.761 85 P CB 0.281 32.000 31.700 0.032 0.000 0.794 86 G N 1.440 110.255 108.800 0.024 0.000 2.184 86 G HA2 -0.248 3.714 3.960 0.003 0.000 0.264 86 G HA3 -0.248 3.714 3.960 0.003 0.000 0.264 86 G C 0.032 174.957 174.900 0.042 0.000 0.975 86 G CA -0.085 45.035 45.100 0.033 0.000 0.642 86 G HN 0.571 nan 8.290 nan 0.000 0.536 87 E N 0.164 120.393 120.200 0.047 0.000 2.227 87 E HA 0.587 4.938 4.350 0.003 0.000 0.268 87 E C -0.529 176.119 176.600 0.079 0.000 0.990 87 E CA -0.366 56.073 56.400 0.065 0.000 0.856 87 E CB 1.259 31.002 29.700 0.073 0.000 1.159 87 E HN 0.115 nan 8.360 nan 0.000 0.401 88 T N 1.733 116.342 114.554 0.091 0.000 2.807 88 T HA 0.442 4.794 4.350 0.003 0.000 0.279 88 T C -1.192 173.584 174.700 0.127 0.000 0.993 88 T CA -0.500 61.641 62.100 0.068 0.000 0.970 88 T CB 0.383 69.259 68.868 0.014 0.000 0.950 88 T HN 0.274 nan 8.240 nan 0.000 0.441 89 F N 2.456 122.354 119.950 -0.086 0.000 2.563 89 F HA 0.711 5.239 4.527 0.003 0.000 0.316 89 F C -1.713 173.973 175.800 -0.189 0.000 1.076 89 F CA -1.681 56.272 58.000 -0.078 0.000 0.921 89 F CB 1.263 40.197 39.000 -0.111 0.000 1.209 89 F HN 0.475 nan 8.300 nan 0.000 0.462 90 F N 5.012 124.654 119.950 -0.513 0.000 2.388 90 F HA 0.369 4.897 4.527 0.003 0.000 0.358 90 F C -1.054 174.591 175.800 -0.259 0.000 1.122 90 F CA -0.503 57.323 58.000 -0.290 0.000 1.056 90 F CB 0.690 39.525 39.000 -0.276 0.000 1.155 90 F HN 0.284 nan 8.300 nan 0.000 0.461 91 Y N 3.236 123.674 120.300 0.230 0.000 2.367 91 Y HA 0.343 4.895 4.550 0.003 0.000 0.342 91 Y C -0.109 175.888 175.900 0.162 0.000 0.979 91 Y CA -0.587 57.736 58.100 0.372 0.000 1.161 91 Y CB 0.585 39.334 38.460 0.481 0.000 1.155 91 Y HN 0.413 nan 8.280 nan 0.000 0.503 92 N N 5.535 124.430 118.700 0.326 0.000 2.448 92 N HA 0.441 5.183 4.740 0.003 0.000 0.279 92 N C -1.214 174.282 175.510 -0.023 0.000 1.025 92 N CA -0.578 52.502 53.050 0.052 0.000 0.898 92 N CB 1.537 40.120 38.487 0.160 0.000 1.303 92 N HN 0.520 nan 8.380 nan 0.000 0.495 93 F N -1.741 118.078 119.950 -0.218 0.000 2.715 93 F HA 0.711 5.240 4.527 0.003 0.000 0.318 93 F C -0.407 175.270 175.800 -0.206 0.000 1.141 93 F CA -0.951 56.894 58.000 -0.258 0.000 0.950 93 F CB 1.054 39.841 39.000 -0.354 0.000 1.374 93 F HN -0.029 nan 8.300 nan 0.000 0.477 94 T N 1.697 116.283 114.554 0.053 0.000 2.895 94 T HA 0.605 4.957 4.350 0.003 0.000 0.283 94 T C -0.663 174.073 174.700 0.061 0.000 1.014 94 T CA -0.688 61.402 62.100 -0.018 0.000 1.037 94 T CB 1.642 70.495 68.868 -0.025 0.000 1.006 94 T HN 0.775 nan 8.240 nan 0.000 0.468 95 V N 0.666 120.585 119.914 0.008 0.000 2.370 95 V HA 0.497 4.619 4.120 0.003 0.000 0.279 95 V C -0.064 176.021 176.094 -0.015 0.000 1.029 95 V CA -0.512 61.791 62.300 0.005 0.000 0.870 95 V CB 1.337 33.180 31.823 0.032 0.000 0.984 95 V HN 0.769 nan 8.190 nan 0.000 0.451 96 D N 2.761 123.136 120.400 -0.041 0.000 2.324 96 D HA 0.067 4.708 4.640 0.003 0.000 0.212 96 D C 0.366 176.666 176.300 0.001 0.000 0.984 96 D CA 0.928 54.911 54.000 -0.028 0.000 0.885 96 D CB 0.467 41.233 40.800 -0.056 0.000 0.996 96 D HN 0.839 nan 8.370 nan 0.000 0.505 97 N N 1.053 119.765 118.700 0.020 0.000 2.242 97 N HA 0.280 5.022 4.740 0.003 0.000 0.292 97 N C -3.119 172.483 175.510 0.153 0.000 1.125 97 N CA -1.440 51.647 53.050 0.062 0.000 0.783 97 N CB 2.524 41.030 38.487 0.031 0.000 1.558 97 N HN -0.238 nan 8.380 nan 0.000 0.472 98 P HA 0.314 nan 4.420 nan 0.000 0.271 98 P C 0.039 177.344 177.300 0.009 0.000 1.218 98 P CA 0.493 63.657 63.100 0.107 0.000 0.780 98 P CB 0.872 32.625 31.700 0.089 0.000 0.901 99 G N 0.620 109.346 108.800 -0.124 0.000 2.316 99 G HA2 0.278 4.240 3.960 0.003 0.000 0.296 99 G HA3 0.278 4.240 3.960 0.003 0.000 0.296 99 G C -1.497 172.920 174.900 -0.805 0.000 1.399 99 G CA -0.620 44.118 45.100 -0.603 0.000 0.833 99 G HN 0.382 nan 8.290 nan 0.000 0.565 100 T N 1.532 115.610 114.554 -0.793 0.000 2.727 100 T HA 0.637 4.988 4.350 0.003 0.000 0.298 100 T C -0.668 173.655 174.700 -0.629 0.000 0.942 100 T CA 0.306 62.104 62.100 -0.504 0.000 0.997 100 T CB -0.037 68.653 68.868 -0.297 0.000 0.917 100 T HN 0.330 nan 8.240 nan 0.000 0.487 101 F N 2.192 122.182 119.950 0.068 0.000 2.782 101 F HA 0.861 5.390 4.527 0.003 0.000 0.366 101 F C -0.249 175.685 175.800 0.223 0.000 1.171 101 F CA -1.622 56.422 58.000 0.073 0.000 1.064 101 F CB 1.184 40.183 39.000 -0.001 0.000 1.449 101 F HN 0.568 nan 8.300 nan 0.000 0.520 102 F N -1.253 118.805 119.950 0.180 0.000 2.817 102 F HA 0.671 5.200 4.527 0.003 0.000 0.317 102 F C -1.872 174.017 175.800 0.149 0.000 1.168 102 F CA -2.049 55.990 58.000 0.064 0.000 0.911 102 F CB 0.991 39.936 39.000 -0.091 0.000 1.337 102 F HN 0.446 nan 8.300 nan 0.000 0.464 103 Y N -0.411 120.030 120.300 0.236 0.000 2.576 103 Y HA 0.918 5.470 4.550 0.003 0.000 0.346 103 Y C -1.013 174.957 175.900 0.116 0.000 1.018 103 Y CA -1.299 56.766 58.100 -0.057 0.000 1.050 103 Y CB 1.510 39.888 38.460 -0.138 0.000 1.280 103 Y HN 1.018 nan 8.280 nan 0.000 0.474 104 H N -1.145 118.032 119.070 0.178 0.000 3.003 104 H HA 0.653 5.211 4.556 0.003 0.000 0.327 104 H C -0.427 174.981 175.328 0.133 0.000 1.353 104 H CA -1.199 54.981 56.048 0.220 0.000 1.142 104 H CB 0.894 30.835 29.762 0.298 0.000 1.864 104 H HN 1.093 nan 8.280 nan 0.000 0.529 105 G N -0.095 108.872 108.800 0.278 0.000 2.432 105 G HA2 0.241 4.202 3.960 0.003 0.000 0.239 105 G HA3 0.241 4.202 3.960 0.003 0.000 0.239 105 G C -0.387 174.659 174.900 0.244 0.000 1.291 105 G CA -0.176 45.024 45.100 0.167 0.000 0.863 105 G HN 0.847 nan 8.290 nan 0.000 0.560 106 H N 1.898 121.015 119.070 0.078 0.000 2.790 106 H HA 0.298 4.856 4.556 0.003 0.000 0.232 106 H C -1.186 174.143 175.328 0.002 0.000 1.313 106 H CA -0.368 55.715 56.048 0.059 0.000 1.011 106 H CB 0.681 30.473 29.762 0.050 0.000 2.105 106 H HN 0.313 nan 8.280 nan 0.000 0.580 107 L N 0.101 121.369 121.223 0.075 0.000 2.516 107 L HA 0.521 4.863 4.340 0.003 0.000 0.267 107 L C 0.563 177.438 176.870 0.008 0.000 0.957 107 L CA 0.752 55.617 54.840 0.041 0.000 0.860 107 L CB 1.333 43.414 42.059 0.038 0.000 1.265 107 L HN 0.456 nan 8.230 nan 0.000 0.403 108 G N 4.703 113.507 108.800 0.006 0.000 2.596 108 G HA2 -0.314 3.648 3.960 0.003 0.000 0.295 108 G HA3 -0.314 3.648 3.960 0.003 0.000 0.295 108 G C 0.410 175.293 174.900 -0.029 0.000 1.240 108 G CA 0.429 45.542 45.100 0.022 0.000 0.985 108 G HN 0.700 nan 8.290 nan 0.000 0.555 109 M N 1.001 120.552 119.600 -0.081 0.000 2.866 109 M HA 0.197 4.679 4.480 0.003 0.000 0.319 109 M C 1.932 178.165 176.300 -0.111 0.000 1.244 109 M CA 0.048 55.257 55.300 -0.153 0.000 0.974 109 M CB 0.624 33.063 32.600 -0.268 0.000 1.291 109 M HN 0.609 nan 8.290 nan 0.000 0.513 110 Q N 0.894 120.662 119.800 -0.053 0.000 2.170 110 Q HA -0.168 4.173 4.340 0.003 0.000 0.203 110 Q C 2.115 178.134 176.000 0.032 0.000 0.976 110 Q CA 1.405 57.199 55.803 -0.016 0.000 0.858 110 Q CB -0.021 28.715 28.738 -0.002 0.000 0.907 110 Q HN 0.632 nan 8.270 nan 0.000 0.433 111 R N -0.281 120.260 120.500 0.068 0.000 2.115 111 R HA 0.006 4.348 4.340 0.003 0.000 0.226 111 R C 1.994 178.446 176.300 0.253 0.000 1.100 111 R CA 1.535 57.752 56.100 0.197 0.000 0.980 111 R CB -0.340 30.072 30.300 0.186 0.000 0.875 111 R HN -0.056 nan 8.270 nan 0.000 0.445 112 S N 1.447 117.209 115.700 0.103 0.000 2.419 112 S HA -0.047 4.425 4.470 0.003 0.000 0.233 112 S C 1.988 176.695 174.600 0.178 0.000 1.016 112 S CA 1.067 59.338 58.200 0.118 0.000 0.974 112 S CB -0.058 63.057 63.200 -0.141 0.000 0.786 112 S HN 0.577 nan 8.310 nan 0.000 0.492 113 A N 0.462 123.345 122.820 0.105 0.000 2.235 113 A HA 0.473 4.795 4.320 0.003 0.000 0.208 113 A C 1.677 179.376 177.584 0.191 0.000 1.172 113 A CA 0.868 52.993 52.037 0.146 0.000 0.786 113 A CB -0.650 18.410 19.000 0.101 0.000 0.804 113 A HN 0.860 nan 8.150 nan 0.000 0.479 114 G N -2.068 106.823 108.800 0.150 0.000 2.192 114 G HA2 -0.113 3.849 3.960 0.003 0.000 0.193 114 G HA3 -0.113 3.849 3.960 0.003 0.000 0.193 114 G C 0.022 174.628 174.900 -0.491 0.000 0.999 114 G CA 0.004 45.004 45.100 -0.167 0.000 0.659 114 G HN 0.836 nan 8.290 nan 0.000 0.503 115 L N 2.708 123.811 121.223 -0.199 0.000 2.401 115 L HA 0.685 5.026 4.340 0.003 0.000 0.283 115 L C -0.144 176.734 176.870 0.013 0.000 1.151 115 L CA -1.258 53.507 54.840 -0.126 0.000 0.942 115 L CB -1.263 40.786 42.059 -0.017 0.000 1.283 115 L HN 0.454 nan 8.230 nan 0.000 0.442 116 Y N 1.669 121.980 120.300 0.019 0.000 2.713 116 Y HA 0.913 5.465 4.550 0.003 0.000 0.335 116 Y C -0.121 175.464 175.900 -0.525 0.000 1.222 116 Y CA -1.032 56.974 58.100 -0.155 0.000 1.061 116 Y CB 0.668 39.107 38.460 -0.034 0.000 1.314 116 Y HN 0.486 nan 8.280 nan 0.000 0.453 117 G N -0.149 108.210 108.800 -0.735 0.000 2.430 117 G HA2 0.513 4.475 3.960 0.003 0.000 0.300 117 G HA3 0.513 4.475 3.960 0.003 0.000 0.300 117 G C -1.883 172.678 174.900 -0.566 0.000 1.330 117 G CA -0.927 43.732 45.100 -0.735 0.000 0.813 117 G HN 0.697 nan 8.290 nan 0.000 0.487 118 S N -0.955 114.641 115.700 -0.173 0.000 2.617 118 S HA 0.745 5.216 4.470 0.003 0.000 0.283 118 S C -0.543 174.205 174.600 0.246 0.000 1.189 118 S CA -0.498 57.728 58.200 0.044 0.000 1.036 118 S CB 1.495 64.704 63.200 0.015 0.000 1.014 118 S HN 0.704 nan 8.310 nan 0.000 0.522 119 L N 3.285 124.685 121.223 0.296 0.000 2.457 119 L HA 0.595 4.936 4.340 0.003 0.000 0.266 119 L C -1.730 175.317 176.870 0.295 0.000 0.979 119 L CA -0.342 54.708 54.840 0.350 0.000 0.857 119 L CB 0.477 42.807 42.059 0.451 0.000 1.213 119 L HN 0.622 nan 8.230 nan 0.000 0.418 120 I N 4.597 125.297 120.570 0.217 0.000 2.530 120 I HA 0.540 4.712 4.170 0.003 0.000 0.297 120 I C -0.773 175.457 176.117 0.189 0.000 1.011 120 I CA -0.971 60.425 61.300 0.161 0.000 1.107 120 I CB 2.283 40.335 38.000 0.087 0.000 1.285 120 I HN 0.179 nan 8.210 nan 0.000 0.436 121 V N 4.376 124.403 119.914 0.188 0.000 2.483 121 V HA 0.351 4.473 4.120 0.003 0.000 0.297 121 V C -0.539 175.630 176.094 0.126 0.000 1.027 121 V CA -0.775 61.638 62.300 0.189 0.000 0.855 121 V CB 1.740 33.745 31.823 0.304 0.000 0.995 121 V HN 0.632 nan 8.190 nan 0.000 0.424 122 D N 5.172 125.634 120.400 0.103 0.000 2.432 122 D HA 0.418 5.059 4.640 0.003 0.000 0.258 122 D C -2.384 173.961 176.300 0.076 0.000 1.146 122 D CA -1.173 52.878 54.000 0.086 0.000 1.015 122 D CB 1.542 42.386 40.800 0.074 0.000 1.107 122 D HN 0.259 nan 8.370 nan 0.000 0.529 123 P HA 0.063 nan 4.420 nan 0.000 0.270 123 P C -2.528 174.794 177.300 0.038 0.000 1.221 123 P CA -0.742 62.389 63.100 0.051 0.000 0.788 123 P CB -0.794 30.923 31.700 0.030 0.000 0.904 124 P HA -0.038 nan 4.420 nan 0.000 0.266 124 P C 0.105 177.413 177.300 0.012 0.000 1.193 124 P CA 0.420 63.533 63.100 0.020 0.000 0.770 124 P CB 0.092 31.802 31.700 0.018 0.000 0.836 125 Q N 1.834 121.640 119.800 0.009 0.000 2.263 125 Q HA 0.130 4.472 4.340 0.003 0.000 0.289 125 Q C 1.152 177.151 176.000 -0.001 0.000 1.061 125 Q CA 1.334 57.139 55.803 0.004 0.000 0.927 125 Q CB -0.589 28.151 28.738 0.003 0.000 1.154 125 Q HN 0.826 nan 8.270 nan 0.000 0.378 126 G N 3.610 112.406 108.800 -0.006 0.000 2.308 126 G HA2 -0.301 3.661 3.960 0.003 0.000 0.221 126 G HA3 -0.301 3.661 3.960 0.003 0.000 0.221 126 G C 0.102 174.992 174.900 -0.016 0.000 1.032 126 G CA 0.272 45.365 45.100 -0.011 0.000 0.623 126 G HN 0.647 nan 8.290 nan 0.000 0.506 127 K N 1.219 121.612 120.400 -0.013 0.000 2.126 127 K HA 0.655 4.977 4.320 0.003 0.000 0.257 127 K C 0.206 176.786 176.600 -0.034 0.000 1.007 127 K CA -0.422 55.854 56.287 -0.018 0.000 0.928 127 K CB 0.563 33.061 32.500 -0.004 0.000 1.013 127 K HN 0.187 nan 8.250 nan 0.000 0.473 128 K N 1.422 121.789 120.400 -0.055 0.000 2.378 128 K HA 0.190 4.511 4.320 0.003 0.000 0.244 128 K C -0.977 175.543 176.600 -0.134 0.000 1.039 128 K CA -1.010 55.221 56.287 -0.093 0.000 0.863 128 K CB 1.523 33.961 32.500 -0.104 0.000 1.326 128 K HN 0.552 nan 8.250 nan 0.000 0.460 129 E N 2.206 122.274 120.200 -0.220 0.000 2.404 129 E HA 0.040 4.392 4.350 0.003 0.000 0.261 129 E C -1.602 174.726 176.600 -0.453 0.000 1.074 129 E CA -1.300 54.856 56.400 -0.406 0.000 0.917 129 E CB 0.497 29.848 29.700 -0.582 0.000 0.965 129 E HN 0.221 nan 8.360 nan 0.000 0.433 130 P HA -0.042 nan 4.420 nan 0.000 0.231 130 P C -0.684 176.512 177.300 -0.172 0.000 1.158 130 P CA 0.759 63.648 63.100 -0.351 0.000 0.763 130 P CB -0.174 31.301 31.700 -0.375 0.000 0.805 131 F N -2.054 117.889 119.950 -0.011 0.000 2.588 131 F HA 0.632 5.161 4.527 0.003 0.000 0.310 131 F C -0.203 175.663 175.800 0.109 0.000 1.082 131 F CA -2.049 55.988 58.000 0.062 0.000 0.929 131 F CB 0.529 39.578 39.000 0.081 0.000 1.254 131 F HN -0.289 nan 8.300 nan 0.000 0.455 132 H N 1.658 120.838 119.070 0.184 0.000 2.467 132 H HA 0.651 5.208 4.556 0.003 0.000 0.331 132 H C -1.453 173.984 175.328 0.181 0.000 1.120 132 H CA -0.860 55.199 56.048 0.019 0.000 1.270 132 H CB 0.975 30.723 29.762 -0.024 0.000 1.466 132 H HN 0.654 nan 8.280 nan 0.000 0.504 133 Y N 0.842 120.723 120.300 -0.698 0.000 2.609 133 Y HA 0.323 4.875 4.550 0.003 0.000 0.336 133 Y C -0.273 175.219 175.900 -0.680 0.000 1.129 133 Y CA -1.089 56.670 58.100 -0.567 0.000 1.040 133 Y CB 0.905 39.260 38.460 -0.175 0.000 1.310 133 Y HN 0.472 nan 8.280 nan 0.000 0.460 134 D N 0.712 120.890 120.400 -0.370 0.000 2.301 134 D HA 0.269 4.910 4.640 0.003 0.000 0.206 134 D C 0.521 176.749 176.300 -0.120 0.000 0.979 134 D CA 1.171 55.003 54.000 -0.279 0.000 0.874 134 D CB 0.986 41.597 40.800 -0.315 0.000 0.968 134 D HN 0.825 nan 8.370 nan 0.000 0.510 135 G N -0.000 108.772 108.800 -0.046 0.000 2.682 135 G HA2 0.444 4.406 3.960 0.003 0.000 0.290 135 G HA3 0.444 4.406 3.960 0.003 0.000 0.290 135 G C -1.716 173.374 174.900 0.317 0.000 1.425 135 G CA -0.481 44.746 45.100 0.212 0.000 0.807 135 G HN -0.072 nan 8.290 nan 0.000 0.482 136 E N -0.558 119.786 120.200 0.240 0.000 2.293 136 E HA 0.642 4.994 4.350 0.003 0.000 0.270 136 E C -1.366 175.241 176.600 0.013 0.000 0.879 136 E CA -0.746 55.708 56.400 0.090 0.000 0.756 136 E CB 2.324 32.081 29.700 0.095 0.000 1.208 136 E HN 0.336 nan 8.360 nan 0.000 0.428 137 I N 3.337 123.834 120.570 -0.123 0.000 2.466 137 I HA 0.293 4.465 4.170 0.003 0.000 0.289 137 I C -0.347 175.602 176.117 -0.280 0.000 1.026 137 I CA -0.645 60.499 61.300 -0.260 0.000 1.078 137 I CB 1.884 39.547 38.000 -0.563 0.000 1.249 137 I HN 0.419 nan 8.210 nan 0.000 0.429 138 N N 6.356 124.915 118.700 -0.236 0.000 2.399 138 N HA 0.603 5.345 4.740 0.003 0.000 0.295 138 N C -1.790 173.533 175.510 -0.312 0.000 1.048 138 N CA -0.532 52.377 53.050 -0.235 0.000 0.886 138 N CB 1.917 40.313 38.487 -0.151 0.000 1.185 138 N HN 0.385 nan 8.380 nan 0.000 0.487 139 L N 4.190 125.242 121.223 -0.285 0.000 2.441 139 L HA 0.480 4.821 4.340 0.003 0.000 0.270 139 L C -1.803 174.911 176.870 -0.260 0.000 0.973 139 L CA -0.626 54.060 54.840 -0.257 0.000 0.842 139 L CB 1.564 43.526 42.059 -0.162 0.000 1.239 139 L HN 0.468 nan 8.230 nan 0.000 0.406 140 L N 5.667 126.728 121.223 -0.270 0.000 2.282 140 L HA 0.630 4.972 4.340 0.003 0.000 0.288 140 L C -1.188 175.513 176.870 -0.282 0.000 1.033 140 L CA -0.074 54.576 54.840 -0.317 0.000 0.807 140 L CB 1.257 43.132 42.059 -0.307 0.000 1.209 140 L HN 0.573 nan 8.230 nan 0.000 0.423 141 L N 4.701 125.736 121.223 -0.314 0.000 2.322 141 L HA 0.817 5.159 4.340 0.003 0.000 0.279 141 L C 0.096 176.791 176.870 -0.292 0.000 1.036 141 L CA -0.313 54.388 54.840 -0.232 0.000 0.807 141 L CB 1.691 43.642 42.059 -0.179 0.000 1.226 141 L HN 0.815 nan 8.230 nan 0.000 0.433 142 S N -0.210 115.375 115.700 -0.191 0.000 2.688 142 S HA 0.756 5.227 4.470 0.003 0.000 0.275 142 S C -1.869 172.728 174.600 -0.005 0.000 1.175 142 S CA -1.029 57.065 58.200 -0.176 0.000 0.818 142 S CB 2.287 65.302 63.200 -0.309 0.000 1.157 142 S HN 0.599 nan 8.310 nan 0.000 0.482 143 D N -0.620 119.837 120.400 0.094 0.000 2.523 143 D HA 0.538 5.180 4.640 0.003 0.000 0.236 143 D C -1.483 174.970 176.300 0.255 0.000 1.094 143 D CA -0.488 53.545 54.000 0.054 0.000 0.942 143 D CB 1.025 41.742 40.800 -0.139 0.000 1.447 143 D HN 0.724 nan 8.370 nan 0.000 0.479 144 W N 1.318 122.519 121.300 -0.165 0.000 2.998 144 W HA 0.442 5.104 4.660 0.003 0.000 0.335 144 W C -1.817 174.619 176.519 -0.137 0.000 1.110 144 W CA -0.839 56.526 57.345 0.033 0.000 1.230 144 W CB 1.467 30.974 29.460 0.078 0.000 1.405 144 W HN 0.341 nan 8.180 nan 0.000 0.493 145 W N 4.136 124.959 121.300 -0.795 0.000 2.639 145 W HA 0.249 4.911 4.660 0.003 0.000 0.347 145 W C 0.853 176.911 176.519 -0.767 0.000 1.067 145 W CA -0.458 56.494 57.345 -0.656 0.000 1.218 145 W CB 1.348 30.512 29.460 -0.495 0.000 1.393 145 W HN 0.572 nan 8.180 nan 0.000 0.557 146 H N 0.158 119.042 119.070 -0.311 0.000 2.551 146 H HA -0.030 4.528 4.556 0.003 0.000 0.266 146 H C 0.794 176.012 175.328 -0.185 0.000 0.964 146 H CA 0.177 56.069 56.048 -0.259 0.000 1.180 146 H CB 1.032 30.659 29.762 -0.226 0.000 1.408 146 H HN 0.261 nan 8.280 nan 0.000 0.563 147 Q N 1.902 121.676 119.800 -0.044 0.000 2.299 147 Q HA 0.099 4.440 4.340 0.003 0.000 0.246 147 Q C 0.088 175.998 176.000 -0.150 0.000 0.935 147 Q CA -0.467 55.290 55.803 -0.076 0.000 0.887 147 Q CB 1.079 29.768 28.738 -0.081 0.000 1.223 147 Q HN 0.174 nan 8.270 nan 0.000 0.439 148 S N 2.764 118.400 115.700 -0.107 0.000 2.568 148 S HA -0.017 4.455 4.470 0.003 0.000 0.282 148 S C 0.999 175.489 174.600 -0.184 0.000 1.338 148 S CA -0.384 57.755 58.200 -0.101 0.000 1.045 148 S CB 0.382 63.580 63.200 -0.004 0.000 0.873 148 S HN 0.675 nan 8.310 nan 0.000 0.516 149 I N 3.319 123.732 120.570 -0.262 0.000 2.546 149 I HA -0.002 4.170 4.170 0.003 0.000 0.255 149 I C 1.785 177.686 176.117 -0.360 0.000 1.163 149 I CA 1.376 62.452 61.300 -0.373 0.000 1.457 149 I CB -0.586 37.175 38.000 -0.398 0.000 1.092 149 I HN 0.814 nan 8.210 nan 0.000 0.434 150 H N -0.650 118.343 119.070 -0.128 0.000 2.470 150 H HA 0.030 4.588 4.556 0.003 0.000 0.289 150 H C 2.096 177.364 175.328 -0.100 0.000 1.033 150 H CA 0.904 56.894 56.048 -0.097 0.000 1.331 150 H CB -0.120 29.596 29.762 -0.078 0.000 1.414 150 H HN 0.182 nan 8.280 nan 0.000 0.545 151 K N 0.535 120.929 120.400 -0.011 0.000 2.076 151 K HA -0.083 4.238 4.320 0.003 0.000 0.204 151 K C 2.026 178.562 176.600 -0.107 0.000 1.051 151 K CA 0.838 57.098 56.287 -0.045 0.000 0.949 151 K CB 0.110 32.582 32.500 -0.047 0.000 0.726 151 K HN 0.360 nan 8.250 nan 0.000 0.443 152 Q N 0.762 120.445 119.800 -0.195 0.000 2.077 152 Q HA -0.223 4.119 4.340 0.003 0.000 0.206 152 Q C 1.966 177.801 176.000 -0.275 0.000 0.989 152 Q CA 1.589 57.217 55.803 -0.291 0.000 0.853 152 Q CB -0.066 28.402 28.738 -0.450 0.000 0.907 152 Q HN 0.353 nan 8.270 nan 0.000 0.418 153 E N -0.129 119.909 120.200 -0.269 0.000 2.058 153 E HA -0.186 4.166 4.350 0.003 0.000 0.194 153 E C 2.124 178.685 176.600 -0.064 0.000 0.997 153 E CA 1.424 57.670 56.400 -0.257 0.000 0.801 153 E CB 0.023 29.643 29.700 -0.134 0.000 0.746 153 E HN 0.133 nan 8.360 nan 0.000 0.450 154 V N 0.572 120.474 119.914 -0.019 0.000 2.307 154 V HA -0.197 3.925 4.120 0.003 0.000 0.245 154 V C 2.354 178.471 176.094 0.038 0.000 1.045 154 V CA 1.972 64.291 62.300 0.032 0.000 1.024 154 V CB -0.955 30.884 31.823 0.026 0.000 0.651 154 V HN 0.427 nan 8.190 nan 0.000 0.449 155 G N -0.189 108.611 108.800 -0.001 0.000 2.469 155 G HA2 -0.237 3.725 3.960 0.003 0.000 0.220 155 G HA3 -0.237 3.725 3.960 0.003 0.000 0.220 155 G C 1.502 176.441 174.900 0.065 0.000 1.136 155 G CA 0.900 46.011 45.100 0.018 0.000 0.759 155 G HN 0.497 nan 8.290 nan 0.000 0.562 156 L N 0.907 122.157 121.223 0.044 0.000 2.465 156 L HA 0.061 4.403 4.340 0.003 0.000 0.224 156 L C 1.692 178.694 176.870 0.221 0.000 1.145 156 L CA 0.541 55.463 54.840 0.137 0.000 0.834 156 L CB 0.183 42.279 42.059 0.062 0.000 0.944 156 L HN 0.137 nan 8.230 nan 0.000 0.451 157 S N -1.770 114.047 115.700 0.195 0.000 2.602 157 S HA 0.190 4.662 4.470 0.003 0.000 0.240 157 S C 0.531 175.275 174.600 0.241 0.000 0.992 157 S CA -0.324 57.984 58.200 0.181 0.000 0.971 157 S CB 0.607 63.886 63.200 0.133 0.000 0.855 157 S HN 0.116 nan 8.310 nan 0.000 0.481 158 S N 1.991 117.834 115.700 0.239 0.000 2.690 158 S HA 0.474 4.945 4.470 0.003 0.000 0.291 158 S C -0.205 174.499 174.600 0.174 0.000 1.138 158 S CA -0.772 57.559 58.200 0.219 0.000 1.013 158 S CB 1.058 64.329 63.200 0.118 0.000 1.053 158 S HN 0.252 nan 8.310 nan 0.000 0.539 159 K N 2.442 122.847 120.400 0.009 0.000 2.274 159 K HA 0.425 4.746 4.320 0.003 0.000 0.262 159 K C -2.329 174.232 176.600 -0.064 0.000 0.961 159 K CA -1.660 54.533 56.287 -0.157 0.000 0.833 159 K CB 0.673 32.956 32.500 -0.361 0.000 1.102 159 K HN 0.452 nan 8.250 nan 0.000 0.436 160 P HA 0.034 nan 4.420 nan 0.000 0.267 160 P C -0.126 177.195 177.300 0.036 0.000 1.200 160 P CA -0.331 62.760 63.100 -0.014 0.000 0.772 160 P CB 0.747 32.444 31.700 -0.004 0.000 0.855 161 I N 2.022 122.629 120.570 0.062 0.000 2.754 161 I HA 0.017 4.189 4.170 0.003 0.000 0.285 161 I C 0.463 176.655 176.117 0.125 0.000 1.166 161 I CA -0.266 61.106 61.300 0.120 0.000 1.417 161 I CB 0.338 38.427 38.000 0.149 0.000 1.382 161 I HN 0.292 nan 8.210 nan 0.000 0.588 162 R N 7.896 128.477 120.500 0.136 0.000 2.272 162 R HA 0.169 4.511 4.340 0.003 0.000 0.323 162 R C -0.781 175.631 176.300 0.186 0.000 1.002 162 R CA -0.572 55.605 56.100 0.128 0.000 0.900 162 R CB 0.865 31.204 30.300 0.065 0.000 1.151 162 R HN 0.688 nan 8.270 nan 0.000 0.507 163 W N 5.674 126.990 121.300 0.027 0.000 2.181 163 W HA -0.015 4.647 4.660 0.004 0.000 0.335 163 W C 1.194 177.718 176.519 0.009 0.000 1.310 163 W CA -0.423 56.942 57.345 0.033 0.000 1.226 163 W CB 0.600 30.097 29.460 0.063 0.000 1.155 163 W HN 0.689 nan 8.180 nan 0.000 0.565 164 I N 3.331 123.371 120.570 -0.884 0.000 2.614 164 I HA 0.112 4.284 4.170 0.003 0.000 0.258 164 I C 0.992 176.823 176.117 -0.477 0.000 1.189 164 I CA 1.168 62.007 61.300 -0.767 0.000 1.462 164 I CB -0.952 36.414 38.000 -1.057 0.000 1.092 164 I HN 0.591 nan 8.210 nan 0.000 0.442 165 G N 1.630 110.015 108.800 -0.692 0.000 2.829 165 G HA2 -0.183 3.779 3.960 0.003 0.000 0.628 165 G HA3 -0.183 3.779 3.960 0.003 0.000 0.628 165 G C -0.569 174.413 174.900 0.137 0.000 1.412 165 G CA -0.530 44.545 45.100 -0.042 0.000 0.864 165 G HN 0.400 nan 8.290 nan 0.000 0.544 166 E N 1.321 121.597 120.200 0.126 0.000 2.415 166 E HA 0.276 4.627 4.350 0.003 0.000 0.262 166 E C -1.534 174.905 176.600 -0.269 0.000 1.038 166 E CA -0.938 55.470 56.400 0.013 0.000 0.921 166 E CB 0.321 30.004 29.700 -0.029 0.000 0.950 166 E HN 0.427 nan 8.360 nan 0.000 0.438 167 P HA 0.051 nan 4.420 nan 0.000 0.272 167 P C 0.063 176.951 177.300 -0.687 0.000 1.223 167 P CA -0.020 62.256 63.100 -1.373 0.000 0.784 167 P CB 0.784 31.616 31.700 -1.447 0.000 0.923 168 Q N -0.064 119.333 119.800 -0.672 0.000 2.137 168 Q HA 0.062 4.404 4.340 0.003 0.000 0.198 168 Q C 0.286 176.238 176.000 -0.080 0.000 0.960 168 Q CA 1.583 57.197 55.803 -0.316 0.000 0.847 168 Q CB -0.087 28.239 28.738 -0.687 0.000 0.915 168 Q HN 0.522 nan 8.270 nan 0.000 0.448 169 T N -0.134 114.361 114.554 -0.099 0.000 2.909 169 T HA 0.460 4.812 4.350 0.003 0.000 0.299 169 T C -0.807 173.893 174.700 0.000 0.000 1.073 169 T CA -0.710 61.425 62.100 0.058 0.000 0.999 169 T CB 1.582 70.587 68.868 0.229 0.000 1.098 169 T HN -0.115 nan 8.240 nan 0.000 0.477 170 I N 2.766 123.336 120.570 -0.000 0.000 2.385 170 I HA 0.383 4.555 4.170 0.003 0.000 0.294 170 I C -0.567 175.575 176.117 0.042 0.000 0.988 170 I CA -0.898 60.398 61.300 -0.006 0.000 1.265 170 I CB 1.106 39.084 38.000 -0.036 0.000 1.388 170 I HN 0.395 nan 8.210 nan 0.000 0.480 171 L N 6.961 128.218 121.223 0.056 0.000 2.296 171 L HA 0.417 4.759 4.340 0.003 0.000 0.286 171 L C -0.454 176.429 176.870 0.022 0.000 1.023 171 L CA -0.514 54.368 54.840 0.071 0.000 0.812 171 L CB 1.243 43.385 42.059 0.138 0.000 1.223 171 L HN 0.284 nan 8.230 nan 0.000 0.421 172 L N 5.186 126.424 121.223 0.025 0.000 2.294 172 L HA 0.480 4.822 4.340 0.003 0.000 0.283 172 L C 0.258 177.109 176.870 -0.032 0.000 1.015 172 L CA -0.116 54.727 54.840 0.006 0.000 0.831 172 L CB 0.677 42.770 42.059 0.057 0.000 1.217 172 L HN 0.526 nan 8.230 nan 0.000 0.420 173 N N 3.489 122.113 118.700 -0.128 0.000 2.740 173 N HA -0.209 4.532 4.740 0.003 0.000 0.248 173 N C 1.082 176.490 175.510 -0.169 0.000 1.062 173 N CA 1.256 54.173 53.050 -0.223 0.000 0.704 173 N CB -0.925 37.316 38.487 -0.411 0.000 0.968 173 N HN 1.058 nan 8.380 nan 0.000 0.547 174 G N -1.486 107.237 108.800 -0.129 0.000 2.179 174 G HA2 -0.362 3.599 3.960 0.003 0.000 0.260 174 G HA3 -0.362 3.599 3.960 0.003 0.000 0.260 174 G C 0.100 175.070 174.900 0.117 0.000 0.977 174 G CA 0.700 45.730 45.100 -0.117 0.000 0.641 174 G HN 0.609 nan 8.290 nan 0.000 0.533 175 R N -0.331 120.227 120.500 0.096 0.000 2.670 175 R HA 0.713 5.055 4.340 0.003 0.000 0.289 175 R C 0.357 176.714 176.300 0.096 0.000 0.965 175 R CA 0.024 56.199 56.100 0.124 0.000 0.899 175 R CB 2.134 32.516 30.300 0.137 0.000 1.173 175 R HN 0.639 nan 8.270 nan 0.000 0.456 176 G N 0.819 109.674 108.800 0.092 0.000 2.600 176 G HA2 0.461 4.423 3.960 0.003 0.000 0.293 176 G HA3 0.461 4.423 3.960 0.003 0.000 0.293 176 G C -1.792 173.172 174.900 0.106 0.000 1.408 176 G CA -0.609 44.546 45.100 0.091 0.000 0.782 176 G HN 0.319 nan 8.290 nan 0.000 0.482 177 Q N -0.689 119.180 119.800 0.114 0.000 2.347 177 Q HA 0.668 5.010 4.340 0.003 0.000 0.271 177 Q C -1.629 174.485 176.000 0.190 0.000 1.064 177 Q CA -0.504 55.377 55.803 0.129 0.000 0.800 177 Q CB 2.989 31.768 28.738 0.069 0.000 1.304 177 Q HN 0.502 nan 8.270 nan 0.000 0.438 178 F N 2.202 122.188 119.950 0.060 0.000 2.495 178 F HA 0.394 4.922 4.527 0.003 0.000 0.327 178 F C -0.010 175.819 175.800 0.048 0.000 1.103 178 F CA -0.618 57.425 58.000 0.072 0.000 0.949 178 F CB 1.308 40.414 39.000 0.176 0.000 1.142 178 F HN 0.640 nan 8.300 nan 0.000 0.457 179 D N 2.430 122.399 120.400 -0.718 0.000 3.039 179 D HA -0.248 4.394 4.640 0.003 0.000 0.222 179 D C -0.582 175.602 176.300 -0.194 0.000 1.179 179 D CA 1.554 55.261 54.000 -0.487 0.000 0.880 179 D CB -1.243 39.329 40.800 -0.379 0.000 1.115 179 D HN 0.656 nan 8.370 nan 0.000 0.416 180 c N -3.210 115.314 118.600 -0.126 0.000 3.321 180 c HA 0.855 5.427 4.570 0.003 0.000 0.329 180 c C -0.341 173.712 174.090 -0.062 0.000 1.394 180 c CA -0.409 55.877 56.329 -0.072 0.000 1.291 180 c CB 2.280 44.772 42.510 -0.030 0.000 1.606 180 c HN 0.254 nan 8.230 nan 0.000 0.463 181 S N -0.255 115.415 115.700 -0.049 0.000 2.547 181 S HA 0.567 5.039 4.470 0.003 0.000 0.281 181 S C 0.483 175.074 174.600 -0.016 0.000 1.118 181 S CA -0.431 57.739 58.200 -0.050 0.000 0.947 181 S CB 1.060 64.213 63.200 -0.078 0.000 1.053 181 S HN 1.456 nan 8.310 nan 0.000 0.482 182 I N 2.017 122.596 120.570 0.015 0.000 3.001 182 I HA 0.300 4.472 4.170 0.003 0.000 0.268 182 I C 1.244 177.459 176.117 0.164 0.000 1.267 182 I CA 0.866 62.225 61.300 0.100 0.000 1.472 182 I CB -0.272 37.830 38.000 0.170 0.000 1.089 182 I HN 0.532 nan 8.210 nan 0.000 0.468 183 A N 1.071 123.891 122.820 -0.000 0.000 2.577 183 A HA 0.709 5.031 4.320 0.003 0.000 0.280 183 A C 1.980 179.588 177.584 0.039 0.000 1.331 183 A CA 0.330 52.378 52.037 0.019 0.000 0.935 183 A CB -0.427 18.317 19.000 -0.426 0.000 1.082 183 A HN 0.471 nan 8.150 nan 0.000 0.525 184 A N 0.967 123.774 122.820 -0.021 0.000 2.172 184 A HA -0.089 4.233 4.320 0.003 0.000 0.216 184 A C 1.940 179.456 177.584 -0.114 0.000 1.154 184 A CA 1.477 53.482 52.037 -0.052 0.000 0.701 184 A CB -0.400 18.569 19.000 -0.052 0.000 0.789 184 A HN 0.692 nan 8.150 nan 0.000 0.465 185 K N -1.414 118.829 120.400 -0.262 0.000 2.365 185 K HA -0.100 4.222 4.320 0.003 0.000 0.199 185 K C 0.821 177.181 176.600 -0.400 0.000 1.045 185 K CA 1.318 57.380 56.287 -0.375 0.000 0.962 185 K CB -0.410 31.795 32.500 -0.492 0.000 0.759 185 K HN 0.485 nan 8.250 nan 0.000 0.469 186 Y N 0.458 120.752 120.300 -0.010 0.000 2.482 186 Y HA 0.219 4.771 4.550 0.003 0.000 0.270 186 Y C -0.174 175.704 175.900 -0.036 0.000 1.152 186 Y CA -0.490 57.598 58.100 -0.020 0.000 1.292 186 Y CB 0.481 38.922 38.460 -0.032 0.000 1.070 186 Y HN 0.115 nan 8.280 nan 0.000 0.528 187 D N -1.117 119.314 120.400 0.051 0.000 2.613 187 D HA 0.143 4.785 4.640 0.003 0.000 0.230 187 D C 0.216 176.506 176.300 -0.016 0.000 1.365 187 D CA -0.169 53.841 54.000 0.017 0.000 0.976 187 D CB 1.246 42.054 40.800 0.014 0.000 1.415 187 D HN -0.045 nan 8.370 nan 0.000 0.589 188 S N 2.430 118.118 115.700 -0.020 0.000 2.500 188 S HA -0.119 4.353 4.470 0.003 0.000 0.239 188 S C 1.334 175.917 174.600 -0.029 0.000 0.989 188 S CA 0.490 58.673 58.200 -0.028 0.000 0.951 188 S CB -0.339 62.847 63.200 -0.024 0.000 0.759 188 S HN 0.598 nan 8.310 nan 0.000 0.523 189 N N 0.518 119.202 118.700 -0.028 0.000 2.515 189 N HA 0.163 4.905 4.740 0.003 0.000 0.185 189 N C -0.240 175.245 175.510 -0.042 0.000 1.109 189 N CA 0.151 53.181 53.050 -0.032 0.000 0.903 189 N CB -0.004 38.464 38.487 -0.031 0.000 0.969 189 N HN 0.362 nan 8.380 nan 0.000 0.450 190 L N 0.959 122.155 121.223 -0.044 0.000 2.325 190 L HA 0.289 4.631 4.340 0.003 0.000 0.279 190 L C 0.015 176.853 176.870 -0.052 0.000 1.054 190 L CA -0.663 54.144 54.840 -0.055 0.000 0.804 190 L CB 1.494 43.520 42.059 -0.054 0.000 1.200 190 L HN -0.077 nan 8.230 nan 0.000 0.436 191 E N 3.953 124.117 120.200 -0.059 0.000 2.229 191 E HA 0.252 4.604 4.350 0.003 0.000 0.283 191 E C -2.387 174.187 176.600 -0.044 0.000 1.030 191 E CA -1.725 54.644 56.400 -0.051 0.000 0.836 191 E CB 0.948 30.614 29.700 -0.057 0.000 1.068 191 E HN 0.135 nan 8.360 nan 0.000 0.401 192 P HA 0.069 nan 4.420 nan 0.000 0.271 192 P C -0.682 176.608 177.300 -0.017 0.000 1.220 192 P CA -0.387 62.697 63.100 -0.027 0.000 0.768 192 P CB 0.507 32.189 31.700 -0.030 0.000 0.848 193 c N 4.397 122.993 118.600 -0.006 0.000 2.593 193 c HA 0.208 4.780 4.570 0.003 0.000 0.409 193 c C 0.899 174.991 174.090 0.003 0.000 1.304 193 c CA -0.290 56.041 56.329 0.003 0.000 2.007 193 c CB -0.796 41.724 42.510 0.017 0.000 2.614 193 c HN 0.475 nan 8.230 nan 0.000 0.585 194 K N 2.872 123.273 120.400 0.002 0.000 2.264 194 K HA 0.658 4.980 4.320 0.003 0.000 0.277 194 K C -0.943 175.659 176.600 0.003 0.000 1.067 194 K CA 0.202 56.489 56.287 -0.001 0.000 0.900 194 K CB 0.464 32.962 32.500 -0.004 0.000 1.124 194 K HN 0.543 nan 8.250 nan 0.000 0.469 195 L N 3.650 124.876 121.223 0.005 0.000 2.528 195 L HA 0.255 4.596 4.340 0.003 0.000 0.267 195 L C 0.407 177.280 176.870 0.005 0.000 0.961 195 L CA -0.548 54.296 54.840 0.007 0.000 0.866 195 L CB 1.865 43.934 42.059 0.017 0.000 1.248 195 L HN 0.542 nan 8.230 nan 0.000 0.404 196 K N 1.790 122.191 120.400 0.002 0.000 2.486 196 K HA 0.156 4.478 4.320 0.003 0.000 0.194 196 K C 1.310 177.914 176.600 0.007 0.000 1.033 196 K CA 0.730 57.018 56.287 0.002 0.000 1.004 196 K CB 0.293 32.792 32.500 -0.001 0.000 0.798 196 K HN 0.972 nan 8.250 nan 0.000 0.495 197 G N 1.012 109.819 108.800 0.012 0.000 2.213 197 G HA2 -0.289 3.673 3.960 0.003 0.000 0.226 197 G HA3 -0.289 3.673 3.960 0.003 0.000 0.226 197 G C 0.951 175.864 174.900 0.023 0.000 0.992 197 G CA 0.461 45.572 45.100 0.018 0.000 0.632 197 G HN 0.368 nan 8.290 nan 0.000 0.511 198 S N -0.098 115.611 115.700 0.016 0.000 2.556 198 S HA 0.445 4.916 4.470 0.003 0.000 0.216 198 S C 0.573 175.180 174.600 0.011 0.000 0.970 198 S CA 0.638 58.848 58.200 0.017 0.000 0.912 198 S CB 0.637 63.843 63.200 0.009 0.000 0.790 198 S HN 0.521 nan 8.310 nan 0.000 0.504 199 E N 2.187 122.389 120.200 0.005 0.000 2.345 199 E HA 0.367 4.719 4.350 0.003 0.000 0.259 199 E C 1.107 177.703 176.600 -0.007 0.000 1.117 199 E CA 0.197 56.585 56.400 -0.019 0.000 0.913 199 E CB 0.553 30.240 29.700 -0.021 0.000 1.057 199 E HN 0.270 nan 8.360 nan 0.000 0.432 200 S N -0.405 115.254 115.700 -0.067 0.000 2.419 200 S HA -0.179 4.292 4.470 0.003 0.000 0.233 200 S C 1.727 176.361 174.600 0.058 0.000 1.016 200 S CA 0.968 59.145 58.200 -0.040 0.000 0.974 200 S CB -0.643 62.344 63.200 -0.354 0.000 0.786 200 S HN 0.722 nan 8.310 nan 0.000 0.492 201 c N 1.222 119.834 118.600 0.020 0.000 2.855 201 c HA 0.790 5.362 4.570 0.003 0.000 0.279 201 c C 1.113 175.243 174.090 0.068 0.000 1.270 201 c CA -1.140 55.222 56.329 0.056 0.000 1.702 201 c CB -1.809 40.722 42.510 0.036 0.000 1.949 201 c HN 0.553 nan 8.230 nan 0.000 0.618 202 A N 3.372 126.229 122.820 0.063 0.000 2.450 202 A HA 0.550 4.872 4.320 0.003 0.000 0.255 202 A C -1.767 175.867 177.584 0.084 0.000 1.096 202 A CA -0.803 51.270 52.037 0.061 0.000 0.778 202 A CB -0.183 18.846 19.000 0.048 0.000 1.031 202 A HN 0.565 nan 8.150 nan 0.000 0.494 203 P HA -0.146 nan 4.420 nan 0.000 0.264 203 P C -0.826 176.541 177.300 0.112 0.000 1.179 203 P CA 0.613 63.767 63.100 0.089 0.000 0.763 203 P CB 0.164 31.899 31.700 0.059 0.000 0.806 204 Y N 3.668 123.987 120.300 0.032 0.000 2.585 204 Y HA 0.301 4.853 4.550 0.003 0.000 0.354 204 Y C 0.122 176.038 175.900 0.027 0.000 1.024 204 Y CA -0.430 57.707 58.100 0.062 0.000 1.321 204 Y CB -0.360 38.166 38.460 0.110 0.000 1.151 204 Y HN 0.158 nan 8.280 nan 0.000 0.525 205 I N 6.775 127.190 120.570 -0.258 0.000 2.474 205 I HA 0.054 4.226 4.170 0.003 0.000 0.287 205 I C -0.667 175.225 176.117 -0.375 0.000 1.048 205 I CA 0.080 61.180 61.300 -0.335 0.000 1.383 205 I CB 0.169 37.927 38.000 -0.403 0.000 1.412 205 I HN 0.388 nan 8.210 nan 0.000 0.531 206 F N 5.238 124.972 119.950 -0.361 0.000 2.424 206 F HA 0.290 4.818 4.527 0.003 0.000 0.356 206 F C 0.594 176.154 175.800 -0.400 0.000 1.110 206 F CA -0.630 57.202 58.000 -0.279 0.000 1.161 206 F CB -0.185 38.744 39.000 -0.119 0.000 1.115 206 F HN 0.343 nan 8.300 nan 0.000 0.507 207 H N 3.262 122.327 119.070 -0.009 0.000 2.488 207 H HA 0.567 5.125 4.556 0.003 0.000 0.322 207 H C -0.267 174.948 175.328 -0.190 0.000 1.078 207 H CA -0.461 55.544 56.048 -0.073 0.000 1.260 207 H CB 2.015 31.739 29.762 -0.063 0.000 1.425 207 H HN 0.439 nan 8.280 nan 0.000 0.471 208 V N 0.533 120.366 119.914 -0.135 0.000 3.001 208 V HA 0.625 4.746 4.120 0.003 0.000 0.314 208 V C 0.134 176.146 176.094 -0.136 0.000 1.099 208 V CA -0.907 61.178 62.300 -0.358 0.000 0.989 208 V CB 2.144 33.548 31.823 -0.698 0.000 1.040 208 V HN 0.613 nan 8.190 nan 0.000 0.434 209 S N 3.203 118.928 115.700 0.042 0.000 2.565 209 S HA 0.686 5.158 4.470 0.003 0.000 0.290 209 S C -2.576 172.029 174.600 0.009 0.000 1.150 209 S CA -0.993 57.239 58.200 0.054 0.000 1.058 209 S CB 1.411 64.683 63.200 0.119 0.000 1.032 209 S HN 0.818 nan 8.310 nan 0.000 0.510 210 P HA 0.042 nan 4.420 nan 0.000 0.269 210 P C 0.175 177.529 177.300 0.090 0.000 1.217 210 P CA -0.036 63.104 63.100 0.067 0.000 0.783 210 P CB 0.262 32.084 31.700 0.203 0.000 0.898 211 K N -0.720 119.748 120.400 0.114 0.000 3.048 211 K HA -0.233 4.089 4.320 0.003 0.000 0.274 211 K C -0.899 175.735 176.600 0.058 0.000 1.098 211 K CA 1.557 57.899 56.287 0.093 0.000 0.807 211 K CB -1.408 31.142 32.500 0.084 0.000 1.217 211 K HN 0.457 nan 8.250 nan 0.000 0.477 212 K N 0.237 120.663 120.400 0.044 0.000 2.245 212 K HA 0.434 4.756 4.320 0.003 0.000 0.234 212 K C -0.097 176.427 176.600 -0.127 0.000 1.021 212 K CA -0.614 55.621 56.287 -0.086 0.000 0.898 212 K CB 1.202 33.568 32.500 -0.223 0.000 1.163 212 K HN 0.082 nan 8.250 nan 0.000 0.459 213 T N 1.397 115.784 114.554 -0.277 0.000 2.807 213 T HA 0.482 4.834 4.350 0.003 0.000 0.279 213 T C -1.186 173.289 174.700 -0.374 0.000 0.993 213 T CA -0.466 61.535 62.100 -0.165 0.000 0.970 213 T CB 0.245 69.093 68.868 -0.035 0.000 0.950 213 T HN 0.245 nan 8.240 nan 0.000 0.441 214 Y N 1.461 121.770 120.300 0.014 0.000 2.409 214 Y HA 0.567 5.119 4.550 0.003 0.000 0.343 214 Y C 0.336 176.161 175.900 -0.125 0.000 0.973 214 Y CA -1.309 56.775 58.100 -0.027 0.000 1.064 214 Y CB 1.519 39.950 38.460 -0.048 0.000 1.207 214 Y HN 0.480 nan 8.280 nan 0.000 0.452 215 R N 3.630 124.037 120.500 -0.155 0.000 2.234 215 R HA 0.550 4.892 4.340 0.003 0.000 0.324 215 R C -1.660 174.493 176.300 -0.245 0.000 1.054 215 R CA 0.089 55.944 56.100 -0.407 0.000 0.912 215 R CB -0.005 29.652 30.300 -1.071 0.000 1.030 215 R HN 0.723 nan 8.270 nan 0.000 0.455 216 I N 5.616 126.056 120.570 -0.217 0.000 2.330 216 I HA 0.369 4.540 4.170 0.003 0.000 0.289 216 I C 0.137 176.095 176.117 -0.265 0.000 1.001 216 I CA -0.837 60.316 61.300 -0.244 0.000 1.193 216 I CB 1.560 39.437 38.000 -0.205 0.000 1.345 216 I HN 0.538 nan 8.210 nan 0.000 0.461 217 R N 7.005 127.348 120.500 -0.260 0.000 2.312 217 R HA 0.724 5.066 4.340 0.003 0.000 0.311 217 R C -0.968 175.170 176.300 -0.269 0.000 1.004 217 R CA -0.549 55.413 56.100 -0.230 0.000 0.902 217 R CB 1.512 31.700 30.300 -0.187 0.000 1.073 217 R HN 0.524 nan 8.270 nan 0.000 0.457 218 I N 1.763 122.179 120.570 -0.257 0.000 2.512 218 I HA 0.467 4.639 4.170 0.003 0.000 0.287 218 I C -0.624 175.351 176.117 -0.235 0.000 1.069 218 I CA -0.564 60.562 61.300 -0.289 0.000 1.056 218 I CB 2.202 39.970 38.000 -0.386 0.000 1.229 218 I HN 0.657 nan 8.210 nan 0.000 0.429 219 A N 3.842 126.476 122.820 -0.310 0.000 2.401 219 A HA 0.860 5.182 4.320 0.003 0.000 0.310 219 A C -0.860 176.381 177.584 -0.571 0.000 1.075 219 A CA -0.620 51.151 52.037 -0.444 0.000 0.746 219 A CB 2.015 20.680 19.000 -0.558 0.000 1.277 219 A HN 0.528 nan 8.150 nan 0.000 0.425 220 S N 0.142 115.448 115.700 -0.656 0.000 2.519 220 S HA 0.609 5.080 4.470 0.003 0.000 0.309 220 S C -0.164 174.014 174.600 -0.702 0.000 1.100 220 S CA -0.111 57.761 58.200 -0.548 0.000 1.059 220 S CB 0.693 63.729 63.200 -0.274 0.000 1.008 220 S HN 0.827 nan 8.310 nan 0.000 0.478 221 T N 1.845 116.031 114.554 -0.613 0.000 3.415 221 T HA 0.196 4.548 4.350 0.003 0.000 0.282 221 T C 0.480 175.013 174.700 -0.278 0.000 1.007 221 T CA -0.494 61.359 62.100 -0.413 0.000 0.958 221 T CB -0.421 68.134 68.868 -0.522 0.000 1.171 221 T HN 0.749 nan 8.240 nan 0.000 0.500 222 T N -0.315 114.133 114.554 -0.177 0.000 2.932 222 T HA 0.483 4.834 4.350 0.003 0.000 0.312 222 T C 1.628 176.336 174.700 0.013 0.000 1.071 222 T CA -0.116 61.946 62.100 -0.063 0.000 1.128 222 T CB 1.165 70.012 68.868 -0.034 0.000 0.984 222 T HN 0.209 nan 8.240 nan 0.000 0.549 223 A N 1.707 124.577 122.820 0.083 0.000 2.021 223 A HA 0.303 4.624 4.320 0.003 0.000 0.216 223 A C 1.823 179.425 177.584 0.030 0.000 1.163 223 A CA 0.809 52.862 52.037 0.026 0.000 0.676 223 A CB -0.455 18.532 19.000 -0.022 0.000 0.818 223 A HN 0.792 nan 8.150 nan 0.000 0.453 224 L N -2.517 118.795 121.223 0.148 0.000 2.678 224 L HA 0.581 4.923 4.340 0.003 0.000 0.187 224 L C 1.093 178.025 176.870 0.104 0.000 1.073 224 L CA 0.929 55.847 54.840 0.130 0.000 0.883 224 L CB -0.290 41.932 42.059 0.271 0.000 1.501 224 L HN 0.158 nan 8.230 nan 0.000 0.488 225 A N 1.024 123.892 122.820 0.081 0.000 2.498 225 A HA 0.579 4.900 4.320 0.003 0.000 0.239 225 A C 0.153 177.748 177.584 0.018 0.000 1.068 225 A CA 0.380 52.435 52.037 0.031 0.000 0.766 225 A CB -0.349 18.633 19.000 -0.031 0.000 1.003 225 A HN 0.507 nan 8.150 nan 0.000 0.497 226 A N 2.153 124.982 122.820 0.015 0.000 2.305 226 A HA 0.703 5.025 4.320 0.003 0.000 0.322 226 A C -0.351 177.154 177.584 -0.133 0.000 1.187 226 A CA -0.434 51.557 52.037 -0.077 0.000 0.825 226 A CB 0.424 19.417 19.000 -0.012 0.000 1.164 226 A HN 0.827 nan 8.150 nan 0.000 0.498 227 L N 1.874 122.971 121.223 -0.210 0.000 2.333 227 L HA 0.546 4.887 4.340 0.003 0.000 0.263 227 L C -0.068 176.689 176.870 -0.188 0.000 1.014 227 L CA -0.825 53.923 54.840 -0.153 0.000 0.820 227 L CB 2.148 44.143 42.059 -0.107 0.000 1.352 227 L HN 0.804 nan 8.230 nan 0.000 0.421 228 N N 1.059 119.678 118.700 -0.134 0.000 2.354 228 N HA 0.361 5.103 4.740 0.003 0.000 0.287 228 N C -1.920 173.549 175.510 -0.067 0.000 1.016 228 N CA -0.350 52.615 53.050 -0.143 0.000 0.871 228 N CB 2.076 40.477 38.487 -0.143 0.000 1.299 228 N HN 0.410 nan 8.380 nan 0.000 0.482 229 F N 3.168 122.998 119.950 -0.200 0.000 2.427 229 F HA 0.705 5.233 4.527 0.003 0.000 0.346 229 F C -0.801 174.925 175.800 -0.123 0.000 1.120 229 F CA -0.349 57.564 58.000 -0.145 0.000 1.033 229 F CB 1.136 40.051 39.000 -0.141 0.000 1.126 229 F HN 0.532 nan 8.300 nan 0.000 0.462 230 A N 7.025 129.464 122.820 -0.634 0.000 2.520 230 A HA 0.744 5.065 4.320 0.003 0.000 0.298 230 A C -1.573 175.701 177.584 -0.517 0.000 1.051 230 A CA -0.629 51.148 52.037 -0.432 0.000 0.690 230 A CB 1.078 19.947 19.000 -0.218 0.000 1.281 230 A HN 0.709 nan 8.150 nan 0.000 0.402 231 I N 1.978 122.367 120.570 -0.302 0.000 2.378 231 I HA 0.451 4.623 4.170 0.003 0.000 0.291 231 I C 1.094 177.216 176.117 0.008 0.000 0.992 231 I CA -0.658 60.546 61.300 -0.159 0.000 1.154 231 I CB 1.941 39.874 38.000 -0.110 0.000 1.315 231 I HN 0.804 nan 8.210 nan 0.000 0.448 232 G N 3.387 112.240 108.800 0.087 0.000 2.305 232 G HA2 0.039 4.001 3.960 0.003 0.000 0.243 232 G HA3 0.039 4.001 3.960 0.003 0.000 0.243 232 G C 0.420 175.428 174.900 0.181 0.000 1.288 232 G CA 0.065 45.255 45.100 0.149 0.000 0.901 232 G HN 0.935 nan 8.290 nan 0.000 0.516 233 N N -0.595 118.139 118.700 0.057 0.000 2.778 233 N HA -0.183 4.558 4.740 0.003 0.000 0.249 233 N C -0.457 174.896 175.510 -0.262 0.000 1.069 233 N CA 1.598 54.583 53.050 -0.109 0.000 0.831 233 N CB -1.254 37.106 38.487 -0.211 0.000 1.142 233 N HN 0.813 nan 8.380 nan 0.000 0.573 234 H N -0.488 118.520 119.070 -0.103 0.000 2.589 234 H HA 0.377 4.935 4.556 0.003 0.000 0.351 234 H C -0.321 175.006 175.328 -0.001 0.000 1.074 234 H CA -0.629 55.382 56.048 -0.061 0.000 1.203 234 H CB 0.970 30.706 29.762 -0.043 0.000 1.558 234 H HN -0.047 nan 8.280 nan 0.000 0.522 235 Q N 2.334 122.202 119.800 0.113 0.000 2.327 235 Q HA 0.302 4.644 4.340 0.003 0.000 0.254 235 Q C -0.461 175.666 176.000 0.211 0.000 0.952 235 Q CA -0.244 55.642 55.803 0.139 0.000 0.884 235 Q CB 1.537 30.327 28.738 0.086 0.000 1.224 235 Q HN 0.553 nan 8.270 nan 0.000 0.422 236 L N 2.829 124.169 121.223 0.195 0.000 2.329 236 L HA 0.495 4.837 4.340 0.003 0.000 0.279 236 L C -0.402 176.491 176.870 0.038 0.000 1.014 236 L CA -0.975 53.934 54.840 0.116 0.000 0.814 236 L CB 1.187 43.290 42.059 0.073 0.000 1.257 236 L HN 0.341 nan 8.230 nan 0.000 0.424 237 L N 3.786 124.938 121.223 -0.118 0.000 2.298 237 L HA 0.490 4.832 4.340 0.003 0.000 0.284 237 L C -0.489 176.137 176.870 -0.407 0.000 1.013 237 L CA -0.284 54.305 54.840 -0.419 0.000 0.824 237 L CB 1.652 43.388 42.059 -0.538 0.000 1.221 237 L HN 0.292 nan 8.230 nan 0.000 0.418 238 V N 6.272 125.857 119.914 -0.548 0.000 2.488 238 V HA 0.194 4.315 4.120 0.003 0.000 0.277 238 V C 0.873 176.761 176.094 -0.344 0.000 1.046 238 V CA 0.288 62.309 62.300 -0.464 0.000 0.986 238 V CB 1.086 32.466 31.823 -0.738 0.000 0.989 238 V HN 0.751 nan 8.190 nan 0.000 0.475 239 V N 0.774 120.522 119.914 -0.277 0.000 3.539 239 V HA 0.488 4.610 4.120 0.003 0.000 0.262 239 V C 0.366 176.435 176.094 -0.041 0.000 1.381 239 V CA 0.248 62.376 62.300 -0.288 0.000 1.060 239 V CB 0.477 31.798 31.823 -0.836 0.000 0.842 239 V HN 0.782 nan 8.190 nan 0.000 0.445 240 E N 0.522 120.721 120.200 -0.001 0.000 2.356 240 E HA 0.753 5.104 4.350 0.003 0.000 0.275 240 E C -1.687 174.901 176.600 -0.020 0.000 0.904 240 E CA -0.208 56.219 56.400 0.045 0.000 0.757 240 E CB 2.614 32.335 29.700 0.035 0.000 1.232 240 E HN 0.506 nan 8.360 nan 0.000 0.442 241 A N 3.062 125.805 122.820 -0.129 0.000 2.437 241 A HA 0.481 4.802 4.320 0.003 0.000 0.293 241 A C -0.905 176.504 177.584 -0.292 0.000 1.038 241 A CA -0.425 51.402 52.037 -0.350 0.000 0.708 241 A CB 0.907 19.767 19.000 -0.234 0.000 1.251 241 A HN 0.729 nan 8.150 nan 0.000 0.409 242 D N 1.520 121.724 120.400 -0.328 0.000 2.737 242 D HA -0.168 4.474 4.640 0.003 0.000 0.233 242 D C 1.159 177.378 176.300 -0.135 0.000 1.155 242 D CA 3.098 56.986 54.000 -0.186 0.000 0.667 242 D CB -1.232 39.491 40.800 -0.130 0.000 1.060 242 D HN 2.183 nan 8.370 nan 0.000 0.427 243 G N -0.845 107.771 108.800 -0.307 0.000 2.147 243 G HA2 -0.324 3.638 3.960 0.003 0.000 0.244 243 G HA3 -0.324 3.638 3.960 0.003 0.000 0.244 243 G C 0.021 174.771 174.900 -0.249 0.000 1.005 243 G CA 0.244 45.148 45.100 -0.326 0.000 0.713 243 G HN 0.518 nan 8.290 nan 0.000 0.515 244 N N -0.964 117.570 118.700 -0.276 0.000 2.242 244 N HA 0.518 5.260 4.740 0.003 0.000 0.292 244 N C -1.133 174.250 175.510 -0.210 0.000 1.125 244 N CA -0.571 52.310 53.050 -0.281 0.000 0.783 244 N CB 1.288 39.689 38.487 -0.143 0.000 1.558 244 N HN 0.034 nan 8.380 nan 0.000 0.472 245 Y N 0.190 120.530 120.300 0.068 0.000 2.304 245 Y HA 0.332 4.884 4.550 0.003 0.000 0.328 245 Y C 0.935 176.891 175.900 0.093 0.000 1.123 245 Y CA -0.732 57.428 58.100 0.100 0.000 1.218 245 Y CB 0.780 39.329 38.460 0.149 0.000 1.207 245 Y HN 0.152 nan 8.280 nan 0.000 0.495 246 V N 0.292 120.356 119.914 0.251 0.000 2.881 246 V HA 0.485 4.607 4.120 0.003 0.000 0.316 246 V C -0.352 175.856 176.094 0.190 0.000 1.070 246 V CA -1.523 60.900 62.300 0.205 0.000 0.976 246 V CB 1.671 33.624 31.823 0.217 0.000 1.038 246 V HN 0.780 nan 8.190 nan 0.000 0.446 247 Q N 2.412 122.324 119.800 0.187 0.000 2.262 247 Q HA 0.292 4.634 4.340 0.003 0.000 0.272 247 Q C -2.366 173.752 176.000 0.198 0.000 1.076 247 Q CA -1.215 54.686 55.803 0.162 0.000 0.905 247 Q CB 0.696 29.518 28.738 0.140 0.000 1.182 247 Q HN 0.652 nan 8.270 nan 0.000 0.390 248 P HA 0.054 nan 4.420 nan 0.000 0.266 248 P C -1.320 176.042 177.300 0.104 0.000 1.195 248 P CA 0.285 63.387 63.100 0.003 0.000 0.768 248 P CB 0.235 31.871 31.700 -0.107 0.000 0.838 249 F N 0.094 119.949 119.950 -0.158 0.000 2.678 249 F HA 0.579 5.108 4.527 0.003 0.000 0.308 249 F C -1.643 174.062 175.800 -0.159 0.000 1.118 249 F CA -1.438 56.498 58.000 -0.106 0.000 0.959 249 F CB 0.691 39.692 39.000 0.001 0.000 1.305 249 F HN 0.150 nan 8.300 nan 0.000 0.443 250 Y N 0.417 120.836 120.300 0.199 0.000 2.376 250 Y HA 0.691 5.242 4.550 0.003 0.000 0.325 250 Y C 0.577 176.594 175.900 0.196 0.000 1.199 250 Y CA -0.400 57.758 58.100 0.096 0.000 1.206 250 Y CB 1.989 40.500 38.460 0.085 0.000 1.229 250 Y HN 0.933 nan 8.280 nan 0.000 0.480 251 T N -0.756 113.978 114.554 0.299 0.000 2.840 251 T HA 0.236 4.587 4.350 0.003 0.000 0.317 251 T C 0.408 175.204 174.700 0.160 0.000 1.401 251 T CA -0.172 62.087 62.100 0.265 0.000 1.028 251 T CB 0.746 69.828 68.868 0.356 0.000 1.317 251 T HN 0.645 nan 8.240 nan 0.000 0.495 252 S N 1.527 117.294 115.700 0.110 0.000 2.461 252 S HA 0.232 4.703 4.470 0.003 0.000 0.228 252 S C 0.250 174.858 174.600 0.014 0.000 1.005 252 S CA 0.901 59.133 58.200 0.054 0.000 0.942 252 S CB -0.625 62.592 63.200 0.029 0.000 0.776 252 S HN 0.913 nan 8.310 nan 0.000 0.514 253 D N -0.222 120.172 120.400 -0.009 0.000 2.653 253 D HA 0.570 5.212 4.640 0.003 0.000 0.258 253 D C -0.850 175.337 176.300 -0.188 0.000 1.252 253 D CA -1.015 52.942 54.000 -0.071 0.000 0.777 253 D CB 0.814 41.548 40.800 -0.111 0.000 1.339 253 D HN 0.337 nan 8.370 nan 0.000 0.422 254 I N -2.781 117.623 120.570 -0.276 0.000 2.892 254 I HA 0.712 4.883 4.170 0.003 0.000 0.306 254 I C -1.228 174.500 176.117 -0.648 0.000 1.078 254 I CA -0.974 59.897 61.300 -0.716 0.000 1.032 254 I CB 2.176 39.792 38.000 -0.640 0.000 1.229 254 I HN 0.144 nan 8.210 nan 0.000 0.435 255 D N 3.907 123.762 120.400 -0.908 0.000 2.168 255 D HA 0.610 5.252 4.640 0.003 0.000 0.246 255 D C -1.030 175.039 176.300 -0.385 0.000 1.050 255 D CA 0.030 53.722 54.000 -0.512 0.000 0.857 255 D CB 2.842 43.441 40.800 -0.335 0.000 1.169 255 D HN 0.599 nan 8.370 nan 0.000 0.453 256 I N 2.350 122.698 120.570 -0.369 0.000 2.534 256 I HA 0.300 4.472 4.170 0.003 0.000 0.288 256 I C -1.540 174.407 176.117 -0.283 0.000 1.077 256 I CA -0.670 60.545 61.300 -0.142 0.000 1.051 256 I CB 1.087 39.054 38.000 -0.055 0.000 1.234 256 I HN 0.203 nan 8.210 nan 0.000 0.425 257 Y N 4.032 124.389 120.300 0.094 0.000 2.496 257 Y HA 0.347 4.899 4.550 0.003 0.000 0.331 257 Y C 0.838 176.738 175.900 0.001 0.000 1.140 257 Y CA -0.453 57.679 58.100 0.054 0.000 1.166 257 Y CB 1.691 40.202 38.460 0.083 0.000 1.249 257 Y HN 0.476 nan 8.280 nan 0.000 0.479 258 S N 1.158 116.937 115.700 0.132 0.000 2.737 258 S HA 0.289 4.760 4.470 0.003 0.000 0.315 258 S C 1.003 175.514 174.600 -0.148 0.000 1.236 258 S CA 1.296 59.512 58.200 0.026 0.000 1.093 258 S CB -0.863 62.426 63.200 0.148 0.000 0.832 258 S HN 1.178 nan 8.310 nan 0.000 0.507 259 G N 3.843 112.455 108.800 -0.314 0.000 2.231 259 G HA2 -0.152 3.810 3.960 0.003 0.000 0.206 259 G HA3 -0.152 3.810 3.960 0.003 0.000 0.206 259 G C -0.224 174.624 174.900 -0.087 0.000 0.996 259 G CA -0.045 44.797 45.100 -0.429 0.000 0.645 259 G HN 0.665 nan 8.290 nan 0.000 0.498 260 E N 0.750 120.931 120.200 -0.031 0.000 2.283 260 E HA 0.604 4.956 4.350 0.003 0.000 0.271 260 E C -0.030 176.509 176.600 -0.101 0.000 1.031 260 E CA 0.086 56.472 56.400 -0.023 0.000 0.868 260 E CB 1.550 31.310 29.700 0.100 0.000 1.094 260 E HN 0.498 nan 8.360 nan 0.000 0.401 261 S N 1.236 116.808 115.700 -0.213 0.000 2.536 261 S HA 0.602 5.073 4.470 0.003 0.000 0.287 261 S C -1.295 173.064 174.600 -0.401 0.000 1.101 261 S CA -0.827 57.245 58.200 -0.214 0.000 0.950 261 S CB 0.742 63.854 63.200 -0.147 0.000 1.056 261 S HN 0.438 nan 8.310 nan 0.000 0.481 262 Y N 0.120 120.334 120.300 -0.143 0.000 2.545 262 Y HA 0.684 5.235 4.550 0.003 0.000 0.348 262 Y C 0.089 175.875 175.900 -0.189 0.000 1.002 262 Y CA -0.699 57.321 58.100 -0.132 0.000 1.039 262 Y CB 2.794 41.188 38.460 -0.110 0.000 1.271 262 Y HN 0.767 nan 8.280 nan 0.000 0.467 263 S N 1.345 117.039 115.700 -0.011 0.000 2.502 263 S HA 0.694 5.166 4.470 0.003 0.000 0.304 263 S C -1.191 173.316 174.600 -0.156 0.000 1.097 263 S CA -0.667 57.462 58.200 -0.118 0.000 1.045 263 S CB 1.610 64.733 63.200 -0.129 0.000 1.019 263 S HN 0.357 nan 8.310 nan 0.000 0.481 264 V N 3.804 123.600 119.914 -0.197 0.000 2.715 264 V HA 0.589 4.711 4.120 0.003 0.000 0.310 264 V C -1.081 174.890 176.094 -0.204 0.000 1.054 264 V CA -0.714 61.465 62.300 -0.202 0.000 0.928 264 V CB 1.884 33.608 31.823 -0.165 0.000 1.007 264 V HN 0.659 nan 8.190 nan 0.000 0.437 265 L N 5.219 126.330 121.223 -0.186 0.000 2.334 265 L HA 0.693 5.035 4.340 0.003 0.000 0.276 265 L C -0.254 176.620 176.870 0.006 0.000 1.014 265 L CA -0.032 54.741 54.840 -0.112 0.000 0.815 265 L CB 1.662 43.639 42.059 -0.135 0.000 1.268 265 L HN 0.621 nan 8.230 nan 0.000 0.428 266 I N -1.927 118.691 120.570 0.079 0.000 3.002 266 I HA 0.816 4.987 4.170 0.003 0.000 0.310 266 I C -0.663 175.564 176.117 0.185 0.000 1.087 266 I CA -0.479 60.914 61.300 0.155 0.000 1.017 266 I CB 2.560 40.658 38.000 0.164 0.000 1.226 266 I HN 0.382 nan 8.210 nan 0.000 0.443 267 T N 0.988 115.672 114.554 0.215 0.000 2.879 267 T HA 0.326 4.678 4.350 0.003 0.000 0.290 267 T C 0.005 174.853 174.700 0.248 0.000 0.993 267 T CA -0.512 61.703 62.100 0.192 0.000 0.975 267 T CB 1.362 70.314 68.868 0.141 0.000 0.981 267 T HN 0.808 nan 8.240 nan 0.000 0.439 268 T N 0.184 114.877 114.554 0.232 0.000 4.475 268 T HA 0.134 4.485 4.350 0.003 0.000 0.254 268 T C 0.540 175.414 174.700 0.290 0.000 1.160 268 T CA -0.740 61.510 62.100 0.250 0.000 1.091 268 T CB -0.608 68.205 68.868 -0.092 0.000 1.377 268 T HN 0.600 nan 8.240 nan 0.000 1.057 269 D N 0.170 120.705 120.400 0.224 0.000 2.491 269 D HA 0.098 4.739 4.640 0.003 0.000 0.228 269 D C 0.387 176.731 176.300 0.073 0.000 1.183 269 D CA -0.373 53.707 54.000 0.133 0.000 0.827 269 D CB 0.257 41.097 40.800 0.066 0.000 0.989 269 D HN 0.322 nan 8.370 nan 0.000 0.494 270 Q N 0.057 119.930 119.800 0.121 0.000 2.385 270 Q HA 0.236 4.578 4.340 0.003 0.000 0.262 270 Q C 0.029 176.046 176.000 0.029 0.000 1.050 270 Q CA -0.806 54.964 55.803 -0.055 0.000 0.903 270 Q CB 0.616 29.112 28.738 -0.404 0.000 1.325 270 Q HN 0.130 nan 8.270 nan 0.000 0.485 271 N N 2.086 120.801 118.700 0.024 0.000 2.414 271 N HA -0.012 4.729 4.740 0.003 0.000 0.268 271 N C -1.992 173.480 175.510 -0.063 0.000 1.286 271 N CA -0.653 52.405 53.050 0.015 0.000 0.896 271 N CB 0.684 39.178 38.487 0.012 0.000 1.093 271 N HN 0.143 nan 8.380 nan 0.000 0.480 272 P HA 0.104 nan 4.420 nan 0.000 0.241 272 P C 0.218 177.527 177.300 0.016 0.000 1.191 272 P CA 0.477 63.623 63.100 0.077 0.000 0.771 272 P CB 0.408 32.222 31.700 0.189 0.000 0.929 273 S N -0.387 115.286 115.700 -0.045 0.000 2.614 273 S HA 0.093 4.564 4.470 0.003 0.000 0.230 273 S C 0.509 175.027 174.600 -0.136 0.000 0.952 273 S CA -0.192 57.974 58.200 -0.056 0.000 0.949 273 S CB -0.520 62.656 63.200 -0.041 0.000 0.786 273 S HN 0.368 nan 8.310 nan 0.000 0.478 274 E N 0.171 120.218 120.200 -0.255 0.000 2.446 274 E HA 0.461 4.812 4.350 0.003 0.000 0.276 274 E C -1.457 174.811 176.600 -0.554 0.000 0.969 274 E CA -1.149 55.009 56.400 -0.404 0.000 0.800 274 E CB 0.865 30.264 29.700 -0.501 0.000 1.341 274 E HN -0.113 nan 8.360 nan 0.000 0.460 275 N N -0.132 118.229 118.700 -0.565 0.000 2.443 275 N HA 0.422 5.163 4.740 0.003 0.000 0.293 275 N C -1.410 173.648 175.510 -0.753 0.000 1.159 275 N CA -0.302 52.471 53.050 -0.461 0.000 0.904 275 N CB 0.994 39.287 38.487 -0.323 0.000 1.214 275 N HN 0.397 nan 8.380 nan 0.000 0.513 276 Y N -1.030 119.133 120.300 -0.228 0.000 2.545 276 Y HA 0.362 4.913 4.550 0.003 0.000 0.348 276 Y C -0.453 175.297 175.900 -0.249 0.000 1.002 276 Y CA -0.850 57.132 58.100 -0.197 0.000 1.039 276 Y CB 1.369 39.833 38.460 0.007 0.000 1.271 276 Y HN 0.415 nan 8.280 nan 0.000 0.467 277 W N 1.706 123.037 121.300 0.051 0.000 2.272 277 W HA 0.585 5.247 4.660 0.003 0.000 0.318 277 W C -0.894 175.537 176.519 -0.146 0.000 1.255 277 W CA -0.578 56.725 57.345 -0.070 0.000 1.200 277 W CB 0.997 30.398 29.460 -0.099 0.000 1.170 277 W HN 0.068 nan 8.180 nan 0.000 0.549 278 V N 3.441 123.415 119.914 0.100 0.000 2.417 278 V HA 0.414 4.536 4.120 0.003 0.000 0.291 278 V C -0.240 175.763 176.094 -0.153 0.000 1.024 278 V CA -0.695 61.496 62.300 -0.182 0.000 0.861 278 V CB 1.441 33.065 31.823 -0.331 0.000 0.985 278 V HN 0.479 nan 8.190 nan 0.000 0.436 279 S N 3.751 119.285 115.700 -0.277 0.000 2.594 279 S HA 0.711 5.183 4.470 0.003 0.000 0.296 279 S C -1.002 173.460 174.600 -0.231 0.000 1.124 279 S CA -0.438 57.627 58.200 -0.225 0.000 1.011 279 S CB 1.610 64.677 63.200 -0.222 0.000 1.016 279 S HN 0.449 nan 8.310 nan 0.000 0.485 280 V N 4.701 124.536 119.914 -0.132 0.000 2.304 280 V HA 0.661 4.783 4.120 0.003 0.000 0.278 280 V C 0.778 176.822 176.094 -0.084 0.000 1.018 280 V CA -0.382 61.880 62.300 -0.065 0.000 0.814 280 V CB 0.987 32.823 31.823 0.021 0.000 1.021 280 V HN 0.913 nan 8.190 nan 0.000 0.440 281 G N 2.599 111.340 108.800 -0.098 0.000 2.441 281 G HA2 0.584 4.545 3.960 0.003 0.000 0.334 281 G HA3 0.584 4.545 3.960 0.003 0.000 0.334 281 G C -0.279 174.571 174.900 -0.083 0.000 1.161 281 G CA -0.456 44.587 45.100 -0.096 0.000 0.935 281 G HN 0.482 nan 8.290 nan 0.000 0.488 282 T N 1.523 116.032 114.554 -0.075 0.000 2.897 282 T HA 0.513 4.864 4.350 0.003 0.000 0.294 282 T C 0.280 174.968 174.700 -0.021 0.000 1.004 282 T CA -0.032 62.033 62.100 -0.059 0.000 1.106 282 T CB 0.775 69.602 68.868 -0.069 0.000 0.949 282 T HN 0.416 nan 8.240 nan 0.000 0.520 283 R N 0.725 121.232 120.500 0.012 0.000 2.831 283 R HA 0.674 5.016 4.340 0.003 0.000 0.266 283 R C 0.345 176.768 176.300 0.204 0.000 1.051 283 R CA -0.550 55.614 56.100 0.106 0.000 0.943 283 R CB 1.220 31.543 30.300 0.038 0.000 1.228 283 R HN 0.718 nan 8.270 nan 0.000 0.467 284 A N 0.260 123.309 122.820 0.383 0.000 3.383 284 A HA -0.241 4.080 4.320 0.003 0.000 0.264 284 A C -0.029 177.910 177.584 0.591 0.000 1.154 284 A CA 1.778 54.157 52.037 0.570 0.000 1.179 284 A CB -0.940 18.350 19.000 0.484 0.000 1.133 284 A HN 0.644 nan 8.150 nan 0.000 0.933 285 R N -2.046 118.638 120.500 0.307 0.000 2.643 285 R HA 0.430 4.772 4.340 0.003 0.000 0.269 285 R C -0.559 175.234 176.300 -0.845 0.000 1.037 285 R CA -0.714 55.290 56.100 -0.159 0.000 0.894 285 R CB 0.955 31.245 30.300 -0.016 0.000 1.238 285 R HN 0.507 nan 8.270 nan 0.000 0.459 286 H N 3.235 121.449 119.070 -1.426 0.000 3.145 286 H HA 0.070 4.627 4.556 0.003 0.000 0.288 286 H C -2.039 172.912 175.328 -0.629 0.000 0.969 286 H CA -0.525 54.687 56.048 -1.392 0.000 1.444 286 H CB 0.624 29.936 29.762 -0.750 0.000 1.500 286 H HN 0.120 nan 8.280 nan 0.000 0.552 287 P HA 0.068 nan 4.420 nan 0.000 0.276 287 P C -0.270 176.996 177.300 -0.056 0.000 1.230 287 P CA -0.089 62.884 63.100 -0.210 0.000 0.776 287 P CB 0.633 32.220 31.700 -0.189 0.000 0.888 288 N N 0.835 119.505 118.700 -0.050 0.000 2.307 288 N HA 0.085 4.827 4.740 0.003 0.000 0.248 288 N C -1.028 174.442 175.510 -0.066 0.000 1.322 288 N CA -0.004 53.028 53.050 -0.031 0.000 0.861 288 N CB 0.660 39.139 38.487 -0.013 0.000 1.303 288 N HN 0.277 nan 8.380 nan 0.000 0.498 289 T N 1.553 116.055 114.554 -0.086 0.000 2.841 289 T HA 0.429 4.780 4.350 0.003 0.000 0.285 289 T C -2.653 171.993 174.700 -0.090 0.000 0.991 289 T CA -0.924 61.117 62.100 -0.098 0.000 0.966 289 T CB 2.155 70.944 68.868 -0.131 0.000 0.962 289 T HN 0.003 nan 8.240 nan 0.000 0.438 290 P HA 0.161 nan 4.420 nan 0.000 0.265 290 P C -2.298 174.950 177.300 -0.088 0.000 1.187 290 P CA -0.942 62.103 63.100 -0.092 0.000 0.766 290 P CB -0.232 31.411 31.700 -0.095 0.000 0.820 291 P HA 0.053 nan 4.420 nan 0.000 0.269 291 P C 0.106 177.352 177.300 -0.090 0.000 1.209 291 P CA 0.067 63.103 63.100 -0.107 0.000 0.776 291 P CB 0.598 32.213 31.700 -0.141 0.000 0.876 292 G N 2.637 111.397 108.800 -0.068 0.000 2.406 292 G HA2 0.488 4.450 3.960 0.003 0.000 0.251 292 G HA3 0.488 4.450 3.960 0.003 0.000 0.251 292 G C -0.622 174.242 174.900 -0.060 0.000 1.271 292 G CA -0.460 44.616 45.100 -0.040 0.000 0.859 292 G HN 0.440 nan 8.290 nan 0.000 0.540 293 L N 0.985 122.184 121.223 -0.040 0.000 2.388 293 L HA 0.771 5.113 4.340 0.003 0.000 0.264 293 L C 0.172 177.068 176.870 0.044 0.000 0.998 293 L CA -0.758 54.065 54.840 -0.029 0.000 0.817 293 L CB 2.798 44.797 42.059 -0.100 0.000 1.338 293 L HN 0.671 nan 8.230 nan 0.000 0.414 294 T N 1.014 115.605 114.554 0.061 0.000 2.671 294 T HA 0.641 4.993 4.350 0.003 0.000 0.300 294 T C -1.735 172.950 174.700 -0.025 0.000 1.238 294 T CA -0.417 61.676 62.100 -0.012 0.000 1.020 294 T CB 1.349 70.097 68.868 -0.200 0.000 1.503 294 T HN 0.359 nan 8.240 nan 0.000 0.497 295 L N 1.962 123.069 121.223 -0.195 0.000 2.334 295 L HA 0.677 5.019 4.340 0.003 0.000 0.273 295 L C -0.891 175.813 176.870 -0.275 0.000 1.013 295 L CA -1.141 53.538 54.840 -0.268 0.000 0.816 295 L CB 1.775 43.650 42.059 -0.307 0.000 1.278 295 L HN 0.482 nan 8.230 nan 0.000 0.431 296 L N 3.634 124.762 121.223 -0.157 0.000 2.264 296 L HA 0.313 4.655 4.340 0.003 0.000 0.287 296 L C -0.099 176.815 176.870 0.074 0.000 1.039 296 L CA 0.208 55.033 54.840 -0.023 0.000 0.829 296 L CB 0.538 42.623 42.059 0.042 0.000 1.211 296 L HN 0.525 nan 8.230 nan 0.000 0.427 297 N N 4.184 122.898 118.700 0.023 0.000 2.420 297 N HA 0.085 4.827 4.740 0.003 0.000 0.249 297 N C -1.255 174.378 175.510 0.206 0.000 1.033 297 N CA -0.536 52.568 53.050 0.089 0.000 0.944 297 N CB 0.452 38.955 38.487 0.026 0.000 1.113 297 N HN 0.441 nan 8.380 nan 0.000 0.502 298 Y N 3.725 124.060 120.300 0.058 0.000 2.531 298 Y HA 0.165 4.716 4.550 0.003 0.000 0.347 298 Y C 0.560 176.501 175.900 0.068 0.000 1.024 298 Y CA -0.239 57.914 58.100 0.089 0.000 1.306 298 Y CB 0.504 39.041 38.460 0.128 0.000 1.149 298 Y HN 0.333 nan 8.280 nan 0.000 0.527 299 L N 7.276 128.591 121.223 0.153 0.000 2.416 299 L HA 0.172 4.513 4.340 0.003 0.000 0.272 299 L C -1.326 175.608 176.870 0.107 0.000 1.161 299 L CA -1.312 53.590 54.840 0.103 0.000 0.845 299 L CB 0.645 42.736 42.059 0.054 0.000 1.119 299 L HN 0.507 nan 8.230 nan 0.000 0.464 300 P HA 0.096 nan 4.420 nan 0.000 0.269 300 P C -0.542 176.781 177.300 0.040 0.000 1.478 300 P CA -0.297 62.831 63.100 0.046 0.000 1.045 300 P CB 0.234 31.953 31.700 0.031 0.000 1.512 301 N N 0.821 119.554 118.700 0.055 0.000 2.458 301 N HA -0.001 4.741 4.740 0.003 0.000 0.258 301 N C 0.384 175.902 175.510 0.013 0.000 1.219 301 N CA 0.461 53.525 53.050 0.023 0.000 0.902 301 N CB 0.610 39.102 38.487 0.008 0.000 1.076 301 N HN 0.063 nan 8.380 nan 0.000 0.455 302 S N 0.723 116.419 115.700 -0.008 0.000 2.568 302 S HA -0.015 4.457 4.470 0.003 0.000 0.282 302 S C 1.405 175.991 174.600 -0.024 0.000 1.338 302 S CA -0.550 57.643 58.200 -0.011 0.000 1.045 302 S CB 0.783 63.970 63.200 -0.021 0.000 0.873 302 S HN 0.389 nan 8.310 nan 0.000 0.516 303 V N 4.289 124.196 119.914 -0.011 0.000 2.970 303 V HA -0.039 4.083 4.120 0.003 0.000 0.260 303 V C 2.007 178.060 176.094 -0.068 0.000 1.100 303 V CA 2.133 64.413 62.300 -0.033 0.000 1.122 303 V CB -0.540 31.289 31.823 0.011 0.000 0.721 303 V HN 1.006 nan 8.190 nan 0.000 0.483 304 S N -0.921 114.749 115.700 -0.051 0.000 2.607 304 S HA 0.005 4.477 4.470 0.003 0.000 0.224 304 S C 1.022 175.576 174.600 -0.077 0.000 0.969 304 S CA 0.133 58.299 58.200 -0.056 0.000 0.927 304 S CB -0.367 62.811 63.200 -0.036 0.000 0.772 304 S HN 0.602 nan 8.310 nan 0.000 0.533 305 K N 1.600 121.943 120.400 -0.095 0.000 2.250 305 K HA 0.293 4.615 4.320 0.003 0.000 0.285 305 K C -0.867 175.629 176.600 -0.174 0.000 1.097 305 K CA -0.633 55.587 56.287 -0.112 0.000 0.913 305 K CB 0.077 32.516 32.500 -0.103 0.000 1.179 305 K HN 0.125 nan 8.250 nan 0.000 0.462 306 L N 5.992 127.125 121.223 -0.151 0.000 2.452 306 L HA 0.243 4.585 4.340 0.003 0.000 0.267 306 L C -2.025 174.729 176.870 -0.194 0.000 1.188 306 L CA -1.646 53.083 54.840 -0.185 0.000 0.821 306 L CB 0.291 42.320 42.059 -0.051 0.000 1.102 306 L HN 0.589 nan 8.230 nan 0.000 0.470 307 P HA 0.131 nan 4.420 nan 0.000 0.272 307 P C 0.494 177.809 177.300 0.024 0.000 1.223 307 P CA -0.180 62.758 63.100 -0.270 0.000 0.784 307 P CB 0.387 31.791 31.700 -0.493 0.000 0.923 308 T N -2.226 112.305 114.554 -0.039 0.000 2.867 308 T HA -0.028 4.324 4.350 0.003 0.000 0.268 308 T C 0.838 175.604 174.700 0.110 0.000 1.057 308 T CA 0.855 62.984 62.100 0.049 0.000 1.136 308 T CB -0.343 68.515 68.868 -0.017 0.000 0.874 308 T HN 0.269 nan 8.240 nan 0.000 0.466 309 S N 2.524 118.252 115.700 0.047 0.000 2.654 309 S HA 0.509 4.981 4.470 0.003 0.000 0.283 309 S C -2.525 171.923 174.600 -0.254 0.000 1.180 309 S CA -1.333 56.847 58.200 -0.033 0.000 1.021 309 S CB 1.315 64.515 63.200 -0.001 0.000 1.018 309 S HN 0.167 nan 8.310 nan 0.000 0.532 310 P HA 0.174 nan 4.420 nan 0.000 0.269 310 P C -2.536 174.451 177.300 -0.522 0.000 1.217 310 P CA -0.898 61.631 63.100 -0.952 0.000 0.783 310 P CB -0.555 30.793 31.700 -0.586 0.000 0.898 311 P HA 0.046 nan 4.420 nan 0.000 0.266 311 P C -2.139 174.998 177.300 -0.272 0.000 1.193 311 P CA -0.645 62.123 63.100 -0.554 0.000 0.770 311 P CB -1.129 30.114 31.700 -0.762 0.000 0.836 312 P HA -0.010 nan 4.420 nan 0.000 0.263 312 P C -0.352 176.856 177.300 -0.153 0.000 1.195 312 P CA 0.095 63.118 63.100 -0.128 0.000 0.762 312 P CB 0.341 31.981 31.700 -0.100 0.000 0.799 313 Q N 2.718 122.439 119.800 -0.132 0.000 2.289 313 Q HA 0.086 4.428 4.340 0.003 0.000 0.273 313 Q C -0.398 175.536 176.000 -0.110 0.000 1.029 313 Q CA 0.609 56.339 55.803 -0.122 0.000 0.896 313 Q CB -0.255 28.423 28.738 -0.100 0.000 1.182 313 Q HN 0.384 nan 8.270 nan 0.000 0.385 314 T N 7.498 121.986 114.554 -0.110 0.000 2.888 314 T HA 0.207 4.559 4.350 0.003 0.000 0.301 314 T C -2.100 172.550 174.700 -0.083 0.000 1.001 314 T CA -0.883 61.157 62.100 -0.100 0.000 1.147 314 T CB 0.251 69.062 68.868 -0.095 0.000 0.931 314 T HN 0.574 nan 8.240 nan 0.000 0.541 315 P HA 0.155 nan 4.420 nan 0.000 0.264 315 P C -0.494 176.755 177.300 -0.085 0.000 1.179 315 P CA -0.222 62.826 63.100 -0.088 0.000 0.763 315 P CB 0.243 31.887 31.700 -0.093 0.000 0.806 316 A N 4.912 127.665 122.820 -0.112 0.000 2.566 316 A HA -0.047 4.275 4.320 0.003 0.000 0.245 316 A C 1.509 178.971 177.584 -0.203 0.000 1.056 316 A CA -0.313 51.638 52.037 -0.143 0.000 0.757 316 A CB -0.508 18.366 19.000 -0.210 0.000 0.979 316 A HN 0.910 nan 8.150 nan 0.000 0.508 317 W N 3.333 124.513 121.300 -0.201 0.000 2.341 317 W HA -0.185 4.477 4.660 0.002 0.000 0.283 317 W C -0.185 176.122 176.519 -0.354 0.000 1.215 317 W CA 1.396 58.614 57.345 -0.212 0.000 1.211 317 W CB -0.440 28.917 29.460 -0.171 0.000 1.131 317 W HN 0.760 nan 8.180 nan 0.000 0.552 318 D N -0.185 119.440 120.400 -1.291 0.000 2.501 318 D HA 0.001 4.643 4.640 0.003 0.000 0.226 318 D C -0.345 175.222 176.300 -1.221 0.000 1.198 318 D CA -0.271 52.724 54.000 -1.676 0.000 0.830 318 D CB -0.813 38.807 40.800 -1.966 0.000 1.014 318 D HN -0.113 nan 8.370 nan 0.000 0.496 319 D N 0.358 120.278 120.400 -0.800 0.000 2.563 319 D HA 0.061 4.703 4.640 0.003 0.000 0.222 319 D C 0.247 176.317 176.300 -0.383 0.000 1.145 319 D CA -0.612 53.109 54.000 -0.464 0.000 1.001 319 D CB -0.343 40.281 40.800 -0.293 0.000 1.049 319 D HN -0.067 nan 8.370 nan 0.000 0.515 320 F N 0.629 120.529 119.950 -0.084 0.000 2.293 320 F HA -0.090 4.439 4.527 0.003 0.000 0.300 320 F C 2.071 177.758 175.800 -0.188 0.000 1.086 320 F CA 0.535 58.507 58.000 -0.048 0.000 1.375 320 F CB -0.026 38.977 39.000 0.006 0.000 1.045 320 F HN 0.252 nan 8.300 nan 0.000 0.516 321 D N -0.228 120.145 120.400 -0.045 0.000 2.144 321 D HA -0.143 4.498 4.640 0.003 0.000 0.200 321 D C 2.393 178.599 176.300 -0.156 0.000 0.978 321 D CA 0.801 54.718 54.000 -0.139 0.000 0.833 321 D CB -0.323 40.419 40.800 -0.097 0.000 0.961 321 D HN 0.234 nan 8.370 nan 0.000 0.470 322 R N 0.779 121.213 120.500 -0.110 0.000 2.081 322 R HA -0.083 4.258 4.340 0.003 0.000 0.235 322 R C 2.234 178.517 176.300 -0.029 0.000 1.131 322 R CA 1.300 57.356 56.100 -0.074 0.000 0.960 322 R CB 0.079 30.334 30.300 -0.074 0.000 0.856 322 R HN -0.010 nan 8.270 nan 0.000 0.436 323 S N 0.806 116.510 115.700 0.008 0.000 2.368 323 S HA -0.119 4.353 4.470 0.003 0.000 0.225 323 S C 1.672 176.295 174.600 0.039 0.000 1.030 323 S CA 1.393 59.693 58.200 0.167 0.000 0.999 323 S CB -0.096 63.350 63.200 0.411 0.000 0.844 323 S HN 0.383 nan 8.310 nan 0.000 0.459 324 K N 1.281 121.434 120.400 -0.410 0.000 2.097 324 K HA -0.034 4.288 4.320 0.003 0.000 0.205 324 K C 2.024 178.139 176.600 -0.808 0.000 1.050 324 K CA 1.184 56.851 56.287 -1.033 0.000 0.938 324 K CB -0.245 31.413 32.500 -1.403 0.000 0.718 324 K HN 0.305 nan 8.250 nan 0.000 0.442 325 N N 0.126 118.582 118.700 -0.407 0.000 2.149 325 N HA -0.191 4.551 4.740 0.003 0.000 0.188 325 N C 1.592 177.057 175.510 -0.075 0.000 1.019 325 N CA 0.964 53.890 53.050 -0.208 0.000 0.857 325 N CB -0.039 38.387 38.487 -0.101 0.000 0.997 325 N HN 0.117 nan 8.380 nan 0.000 0.426 326 F N 0.823 120.727 119.950 -0.076 0.000 2.074 326 F HA -0.041 4.488 4.527 0.003 0.000 0.293 326 F C 2.308 178.156 175.800 0.080 0.000 1.116 326 F CA 1.359 59.382 58.000 0.038 0.000 1.212 326 F CB -0.966 38.093 39.000 0.098 0.000 0.998 326 F HN -0.069 nan 8.300 nan 0.000 0.471 327 T N 0.041 114.609 114.554 0.024 0.000 2.720 327 T HA -0.233 4.119 4.350 0.003 0.000 0.268 327 T C 1.703 176.460 174.700 0.094 0.000 1.037 327 T CA 1.771 63.916 62.100 0.074 0.000 1.144 327 T CB -0.602 68.444 68.868 0.297 0.000 0.864 327 T HN 0.269 nan 8.240 nan 0.000 0.444 328 Y N 1.039 121.225 120.300 -0.190 0.000 2.439 328 Y HA 0.160 4.712 4.550 0.003 0.000 0.292 328 Y C 2.370 178.193 175.900 -0.129 0.000 1.130 328 Y CA -0.191 57.838 58.100 -0.120 0.000 1.254 328 Y CB -0.586 37.796 38.460 -0.130 0.000 1.000 328 Y HN 0.129 nan 8.280 nan 0.000 0.554 329 R N 0.442 120.863 120.500 -0.131 0.000 2.307 329 R HA 0.061 4.403 4.340 0.003 0.000 0.199 329 R C -0.150 175.917 176.300 -0.390 0.000 1.000 329 R CA 0.109 55.992 56.100 -0.362 0.000 1.023 329 R CB -0.331 29.584 30.300 -0.643 0.000 0.908 329 R HN 0.130 nan 8.270 nan 0.000 0.473 330 I N 2.147 122.624 120.570 -0.155 0.000 2.337 330 I HA 0.064 4.235 4.170 0.003 0.000 0.291 330 I C 0.105 176.285 176.117 0.105 0.000 1.046 330 I CA -0.023 61.303 61.300 0.044 0.000 1.324 330 I CB 1.455 39.551 38.000 0.160 0.000 1.409 330 I HN 0.095 nan 8.210 nan 0.000 0.494 331 T N 2.829 117.452 114.554 0.116 0.000 2.916 331 T HA 0.799 5.151 4.350 0.003 0.000 0.292 331 T C -0.195 174.597 174.700 0.153 0.000 1.055 331 T CA -1.045 61.129 62.100 0.124 0.000 1.009 331 T CB 1.737 70.654 68.868 0.082 0.000 1.118 331 T HN 0.530 nan 8.240 nan 0.000 0.497 332 A N 1.263 124.178 122.820 0.158 0.000 2.425 332 A HA 0.671 4.993 4.320 0.003 0.000 0.249 332 A C 0.947 178.627 177.584 0.159 0.000 1.084 332 A CA -0.265 51.875 52.037 0.171 0.000 0.781 332 A CB -0.712 18.406 19.000 0.196 0.000 1.019 332 A HN 1.551 nan 8.150 nan 0.000 0.490 333 A N 2.736 125.663 122.820 0.179 0.000 2.531 333 A HA 0.368 4.690 4.320 0.003 0.000 0.236 333 A C 0.708 178.374 177.584 0.137 0.000 1.062 333 A CA -0.084 52.052 52.037 0.165 0.000 0.760 333 A CB -0.286 18.838 19.000 0.207 0.000 0.995 333 A HN 1.053 nan 8.150 nan 0.000 0.501 334 M N 2.557 122.221 119.600 0.108 0.000 2.409 334 M HA 0.248 4.730 4.480 0.003 0.000 0.376 334 M C 1.270 177.623 176.300 0.088 0.000 1.631 334 M CA 2.216 57.568 55.300 0.087 0.000 0.987 334 M CB -0.475 32.167 32.600 0.070 0.000 2.090 334 M HN 1.551 nan 8.290 nan 0.000 0.474 335 G N 2.354 111.206 108.800 0.087 0.000 2.179 335 G HA2 -0.191 3.771 3.960 0.003 0.000 0.220 335 G HA3 -0.191 3.771 3.960 0.003 0.000 0.220 335 G C 0.065 175.031 174.900 0.110 0.000 0.990 335 G CA 0.093 45.244 45.100 0.085 0.000 0.646 335 G HN 0.685 nan 8.290 nan 0.000 0.517 336 S N 1.408 117.189 115.700 0.136 0.000 2.584 336 S HA 0.490 4.962 4.470 0.003 0.000 0.270 336 S C -1.771 172.936 174.600 0.178 0.000 1.346 336 S CA -0.496 57.805 58.200 0.167 0.000 1.018 336 S CB 0.701 64.018 63.200 0.195 0.000 0.899 336 S HN 0.276 nan 8.310 nan 0.000 0.542 337 P HA 0.099 nan 4.420 nan 0.000 0.261 337 P C -0.575 176.931 177.300 0.343 0.000 1.183 337 P CA 0.312 63.585 63.100 0.289 0.000 0.761 337 P CB 0.264 32.182 31.700 0.363 0.000 0.785 338 K N 4.947 125.401 120.400 0.089 0.000 2.110 338 K HA 0.356 4.677 4.320 0.003 0.000 0.263 338 K C -2.066 174.146 176.600 -0.647 0.000 0.975 338 K CA -1.927 54.250 56.287 -0.184 0.000 0.895 338 K CB 0.447 32.868 32.500 -0.131 0.000 1.060 338 K HN 0.381 nan 8.250 nan 0.000 0.448 339 P HA 0.047 nan 4.420 nan 0.000 0.268 339 P C -2.549 174.370 177.300 -0.634 0.000 1.208 339 P CA -0.943 61.270 63.100 -1.478 0.000 0.777 339 P CB -0.553 30.485 31.700 -1.103 0.000 0.875 340 P HA -0.091 nan 4.420 nan 0.000 0.264 340 P C 1.145 178.339 177.300 -0.178 0.000 1.179 340 P CA 0.166 63.145 63.100 -0.201 0.000 0.763 340 P CB 0.133 31.764 31.700 -0.115 0.000 0.806 341 V N -0.180 119.660 119.914 -0.123 0.000 3.052 341 V HA 0.042 4.164 4.120 0.003 0.000 0.254 341 V C 0.591 176.650 176.094 -0.059 0.000 1.100 341 V CA 1.036 63.281 62.300 -0.092 0.000 1.112 341 V CB -1.164 30.611 31.823 -0.079 0.000 0.738 341 V HN 0.483 nan 8.190 nan 0.000 0.469 342 K N 1.795 122.147 120.400 -0.080 0.000 2.208 342 K HA 0.667 4.989 4.320 0.003 0.000 0.247 342 K C -0.631 175.918 176.600 -0.085 0.000 0.953 342 K CA -0.717 55.492 56.287 -0.131 0.000 0.837 342 K CB 1.404 33.794 32.500 -0.184 0.000 1.131 342 K HN 0.338 nan 8.250 nan 0.000 0.431 343 F N -0.487 119.404 119.950 -0.098 0.000 2.541 343 F HA 0.554 5.083 4.527 0.003 0.000 0.331 343 F C -0.012 175.723 175.800 -0.109 0.000 1.057 343 F CA -0.976 56.948 58.000 -0.127 0.000 0.975 343 F CB 1.585 40.494 39.000 -0.151 0.000 1.246 343 F HN 0.600 nan 8.300 nan 0.000 0.484 344 N N -0.648 118.109 118.700 0.094 0.000 2.348 344 N HA 0.167 4.909 4.740 0.003 0.000 0.183 344 N C -0.587 174.995 175.510 0.121 0.000 1.094 344 N CA -0.311 52.751 53.050 0.020 0.000 0.885 344 N CB 0.497 38.972 38.487 -0.021 0.000 1.065 344 N HN 0.568 nan 8.380 nan 0.000 0.472 345 R N 0.783 121.382 120.500 0.166 0.000 2.604 345 R HA 0.413 4.755 4.340 0.003 0.000 0.281 345 R C -1.793 174.482 176.300 -0.041 0.000 1.020 345 R CA -0.739 55.420 56.100 0.098 0.000 0.899 345 R CB 1.409 31.715 30.300 0.009 0.000 1.205 345 R HN -0.088 nan 8.270 nan 0.000 0.450 346 R N 4.916 125.356 120.500 -0.100 0.000 2.513 346 R HA 0.554 4.895 4.340 0.003 0.000 0.301 346 R C -1.202 174.944 176.300 -0.257 0.000 0.968 346 R CA -0.535 55.309 56.100 -0.427 0.000 0.872 346 R CB 1.156 31.070 30.300 -0.644 0.000 1.177 346 R HN 0.653 nan 8.270 nan 0.000 0.444 347 I N 4.302 124.642 120.570 -0.384 0.000 2.569 347 I HA 0.413 4.585 4.170 0.003 0.000 0.296 347 I C -1.098 174.777 176.117 -0.402 0.000 1.028 347 I CA -0.892 60.306 61.300 -0.171 0.000 1.082 347 I CB 1.903 39.836 38.000 -0.111 0.000 1.264 347 I HN 0.511 nan 8.210 nan 0.000 0.429 348 F N 6.017 125.980 119.950 0.022 0.000 2.467 348 F HA 0.559 5.089 4.527 0.004 0.000 0.336 348 F C -0.421 175.492 175.800 0.189 0.000 1.123 348 F CA -0.560 57.504 58.000 0.107 0.000 0.964 348 F CB 1.371 40.477 39.000 0.176 0.000 1.136 348 F HN 0.046 nan 8.300 nan 0.000 0.447 349 L N 5.329 126.656 121.223 0.173 0.000 2.372 349 L HA 0.435 4.776 4.340 0.003 0.000 0.273 349 L C -0.932 175.873 176.870 -0.109 0.000 0.989 349 L CA -0.923 53.944 54.840 0.046 0.000 0.841 349 L CB 1.700 43.682 42.059 -0.127 0.000 1.225 349 L HN 0.432 nan 8.230 nan 0.000 0.414 350 L N 4.224 125.315 121.223 -0.221 0.000 2.331 350 L HA 0.309 4.651 4.340 0.003 0.000 0.278 350 L C -0.028 176.711 176.870 -0.218 0.000 1.106 350 L CA 0.399 54.943 54.840 -0.493 0.000 0.824 350 L CB 0.595 42.134 42.059 -0.866 0.000 1.142 350 L HN 0.503 nan 8.230 nan 0.000 0.443 351 N N 3.790 122.407 118.700 -0.138 0.000 2.485 351 N HA 0.334 5.075 4.740 0.003 0.000 0.243 351 N C -0.952 174.602 175.510 0.074 0.000 0.987 351 N CA -0.220 52.845 53.050 0.024 0.000 0.940 351 N CB 0.923 39.442 38.487 0.055 0.000 1.122 351 N HN 0.742 nan 8.380 nan 0.000 0.509 352 T N -0.986 113.621 114.554 0.087 0.000 2.908 352 T HA 0.279 4.631 4.350 0.003 0.000 0.290 352 T C -0.381 174.258 174.700 -0.103 0.000 1.034 352 T CA -0.895 61.223 62.100 0.030 0.000 1.010 352 T CB 2.582 71.424 68.868 -0.042 0.000 1.068 352 T HN 0.317 nan 8.240 nan 0.000 0.481 353 Q N 1.293 120.784 119.800 -0.516 0.000 2.257 353 Q HA 0.478 4.820 4.340 0.003 0.000 0.255 353 Q C -1.094 174.617 176.000 -0.481 0.000 0.920 353 Q CA -0.492 54.662 55.803 -1.082 0.000 0.927 353 Q CB 0.682 28.555 28.738 -1.441 0.000 1.229 353 Q HN 0.758 nan 8.270 nan 0.000 0.433 354 N N 1.032 119.498 118.700 -0.391 0.000 2.571 354 N HA 0.535 5.277 4.740 0.003 0.000 0.273 354 N C -1.849 173.577 175.510 -0.140 0.000 1.340 354 N CA -0.628 52.312 53.050 -0.183 0.000 0.789 354 N CB 2.299 40.730 38.487 -0.094 0.000 1.514 354 N HN 0.246 nan 8.380 nan 0.000 0.499 355 V N 1.719 121.593 119.914 -0.067 0.000 2.349 355 V HA 0.446 4.568 4.120 0.003 0.000 0.284 355 V C -0.792 175.309 176.094 0.013 0.000 1.014 355 V CA -0.447 61.836 62.300 -0.028 0.000 0.826 355 V CB 0.409 32.210 31.823 -0.036 0.000 1.009 355 V HN 0.500 nan 8.190 nan 0.000 0.431 356 I N 4.211 124.815 120.570 0.056 0.000 2.339 356 I HA 0.385 4.557 4.170 0.003 0.000 0.290 356 I C 0.771 176.975 176.117 0.145 0.000 0.994 356 I CA -0.637 60.711 61.300 0.080 0.000 1.191 356 I CB 1.074 39.119 38.000 0.075 0.000 1.343 356 I HN 0.703 nan 8.210 nan 0.000 0.458 357 N N 4.968 123.728 118.700 0.100 0.000 2.714 357 N HA -0.233 4.508 4.740 0.003 0.000 0.252 357 N C 0.847 176.365 175.510 0.013 0.000 1.014 357 N CA 1.260 54.369 53.050 0.098 0.000 0.735 357 N CB -0.512 38.078 38.487 0.171 0.000 0.924 357 N HN 1.132 nan 8.380 nan 0.000 0.540 358 G N -2.512 106.250 108.800 -0.064 0.000 2.299 358 G HA2 -0.351 3.611 3.960 0.003 0.000 0.237 358 G HA3 -0.351 3.611 3.960 0.003 0.000 0.237 358 G C -0.095 174.649 174.900 -0.259 0.000 1.027 358 G CA 0.280 45.251 45.100 -0.214 0.000 0.619 358 G HN 0.426 nan 8.290 nan 0.000 0.513 359 Y N 0.835 121.134 120.300 -0.002 0.000 2.304 359 Y HA 0.535 5.087 4.550 0.003 0.000 0.328 359 Y C 0.909 176.798 175.900 -0.018 0.000 1.123 359 Y CA -0.690 57.411 58.100 0.002 0.000 1.218 359 Y CB 1.646 40.113 38.460 0.011 0.000 1.207 359 Y HN 0.067 nan 8.280 nan 0.000 0.495 360 V N 5.734 125.720 119.914 0.120 0.000 2.455 360 V HA 0.197 4.319 4.120 0.003 0.000 0.273 360 V C 0.075 176.179 176.094 0.016 0.000 1.045 360 V CA -0.471 61.833 62.300 0.007 0.000 0.976 360 V CB 0.099 31.903 31.823 -0.031 0.000 0.993 360 V HN 0.682 nan 8.190 nan 0.000 0.475 361 K N 3.247 123.611 120.400 -0.061 0.000 2.433 361 K HA 0.509 4.831 4.320 0.003 0.000 0.252 361 K C -1.420 175.092 176.600 -0.146 0.000 1.015 361 K CA -0.738 55.543 56.287 -0.010 0.000 0.860 361 K CB 2.451 34.970 32.500 0.032 0.000 1.359 361 K HN 0.494 nan 8.250 nan 0.000 0.452 362 W N 0.174 121.453 121.300 -0.036 0.000 2.627 362 W HA 0.594 5.257 4.660 0.004 0.000 0.339 362 W C -0.286 176.210 176.519 -0.039 0.000 1.058 362 W CA -0.253 57.047 57.345 -0.074 0.000 1.223 362 W CB 1.931 31.304 29.460 -0.146 0.000 1.389 362 W HN 0.649 nan 8.180 nan 0.000 0.541 363 A N 3.317 126.245 122.820 0.180 0.000 2.469 363 A HA 0.859 5.181 4.320 0.003 0.000 0.299 363 A C -1.668 175.996 177.584 0.133 0.000 1.098 363 A CA -0.673 51.438 52.037 0.125 0.000 0.737 363 A CB 1.249 20.285 19.000 0.061 0.000 1.312 363 A HN 0.440 nan 8.150 nan 0.000 0.414 364 I N 2.258 122.909 120.570 0.134 0.000 2.411 364 I HA 0.286 4.458 4.170 0.003 0.000 0.284 364 I C -0.313 175.880 176.117 0.127 0.000 1.012 364 I CA -0.381 61.004 61.300 0.140 0.000 1.119 364 I CB 0.722 38.853 38.000 0.218 0.000 1.261 364 I HN 0.744 nan 8.210 nan 0.000 0.448 365 N N 4.555 123.297 118.700 0.071 0.000 2.714 365 N HA -0.231 4.511 4.740 0.003 0.000 0.252 365 N C 0.175 175.733 175.510 0.082 0.000 1.014 365 N CA 1.131 54.235 53.050 0.090 0.000 0.735 365 N CB -0.813 37.787 38.487 0.189 0.000 0.924 365 N HN 0.666 nan 8.380 nan 0.000 0.540 366 D N -2.723 117.703 120.400 0.044 0.000 3.041 366 D HA -0.164 4.478 4.640 0.003 0.000 0.220 366 D C -0.843 175.496 176.300 0.065 0.000 1.157 366 D CA 1.088 55.117 54.000 0.048 0.000 0.876 366 D CB -0.920 39.911 40.800 0.051 0.000 1.107 366 D HN 0.308 nan 8.370 nan 0.000 0.422 367 V N 0.502 120.467 119.914 0.085 0.000 2.409 367 V HA 0.470 4.591 4.120 0.003 0.000 0.291 367 V C 0.350 176.501 176.094 0.095 0.000 1.020 367 V CA -0.689 61.663 62.300 0.087 0.000 0.848 367 V CB 1.989 33.872 31.823 0.100 0.000 0.990 367 V HN 0.099 nan 8.190 nan 0.000 0.430 368 S N 4.680 120.426 115.700 0.077 0.000 2.452 368 S HA 0.545 5.017 4.470 0.003 0.000 0.284 368 S C -0.483 174.156 174.600 0.066 0.000 1.171 368 S CA -0.515 57.731 58.200 0.077 0.000 1.064 368 S CB 0.643 63.878 63.200 0.057 0.000 0.967 368 S HN 0.603 nan 8.310 nan 0.000 0.484 369 L N 5.588 126.853 121.223 0.072 0.000 2.410 369 L HA 0.557 4.898 4.340 0.003 0.000 0.273 369 L C -0.006 176.882 176.870 0.029 0.000 1.152 369 L CA 0.480 55.360 54.840 0.066 0.000 0.855 369 L CB 0.501 42.603 42.059 0.073 0.000 1.129 369 L HN 0.705 nan 8.230 nan 0.000 0.463 370 A N 6.694 129.533 122.820 0.031 0.000 2.311 370 A HA 0.583 4.905 4.320 0.003 0.000 0.306 370 A C -0.773 176.818 177.584 0.011 0.000 1.189 370 A CA -0.646 51.388 52.037 -0.006 0.000 0.791 370 A CB 0.447 19.438 19.000 -0.016 0.000 1.172 370 A HN 0.706 nan 8.150 nan 0.000 0.481 371 L N 4.556 125.770 121.223 -0.014 0.000 2.380 371 L HA 0.344 4.685 4.340 0.003 0.000 0.273 371 L C -1.468 175.346 176.870 -0.093 0.000 1.138 371 L CA -1.446 53.377 54.840 -0.029 0.000 0.832 371 L CB 0.903 42.943 42.059 -0.032 0.000 1.124 371 L HN 0.579 nan 8.230 nan 0.000 0.454 372 P HA 0.203 nan 4.420 nan 0.000 0.276 372 P C -2.329 174.880 177.300 -0.152 0.000 1.261 372 P CA -1.365 61.638 63.100 -0.162 0.000 0.800 372 P CB 0.325 31.892 31.700 -0.222 0.000 1.066 373 P HA 0.008 nan 4.420 nan 0.000 0.236 373 P C 0.145 177.391 177.300 -0.089 0.000 1.177 373 P CA 0.710 63.761 63.100 -0.082 0.000 0.773 373 P CB 0.044 31.714 31.700 -0.050 0.000 0.878 374 T N 4.198 118.688 114.554 -0.108 0.000 2.771 374 T HA 0.278 4.629 4.350 0.003 0.000 0.291 374 T C -2.441 172.153 174.700 -0.178 0.000 0.954 374 T CA -1.434 60.612 62.100 -0.091 0.000 1.045 374 T CB 0.905 69.756 68.868 -0.028 0.000 0.917 374 T HN 0.080 nan 8.240 nan 0.000 0.484 375 P HA 0.044 nan 4.420 nan 0.000 0.267 375 P C 0.114 177.348 177.300 -0.109 0.000 1.209 375 P CA -0.182 62.846 63.100 -0.121 0.000 0.763 375 P CB 0.628 32.308 31.700 -0.033 0.000 0.816 376 Y N 2.919 123.138 120.300 -0.134 0.000 2.151 376 Y HA -0.228 4.324 4.550 0.003 0.000 0.284 376 Y C 2.473 178.302 175.900 -0.119 0.000 1.166 376 Y CA 1.561 59.523 58.100 -0.230 0.000 1.163 376 Y CB -1.165 37.090 38.460 -0.342 0.000 0.974 376 Y HN 0.236 nan 8.280 nan 0.000 0.511 377 L N -0.038 121.230 121.223 0.075 0.000 2.017 377 L HA -0.090 4.251 4.340 0.003 0.000 0.208 377 L C 2.458 179.390 176.870 0.103 0.000 1.073 377 L CA 2.310 57.179 54.840 0.047 0.000 0.745 377 L CB -1.212 40.856 42.059 0.014 0.000 0.894 377 L HN 0.198 nan 8.230 nan 0.000 0.432 378 G N -1.216 107.664 108.800 0.132 0.000 2.418 378 G HA2 -0.245 3.717 3.960 0.003 0.000 0.217 378 G HA3 -0.245 3.717 3.960 0.003 0.000 0.217 378 G C 1.606 176.664 174.900 0.263 0.000 1.158 378 G CA 0.780 46.012 45.100 0.220 0.000 0.771 378 G HN 0.652 nan 8.290 nan 0.000 0.545 379 A N 0.455 123.393 122.820 0.197 0.000 1.933 379 A HA 0.038 4.359 4.320 0.003 0.000 0.218 379 A C 2.430 180.187 177.584 0.288 0.000 1.175 379 A CA 1.824 54.013 52.037 0.253 0.000 0.628 379 A CB -0.291 18.887 19.000 0.297 0.000 0.814 379 A HN 0.410 nan 8.150 nan 0.000 0.444 380 M N -1.530 118.213 119.600 0.238 0.000 2.334 380 M HA 0.010 4.491 4.480 0.003 0.000 0.266 380 M C 2.177 178.530 176.300 0.088 0.000 1.082 380 M CA 1.218 56.636 55.300 0.197 0.000 1.141 380 M CB -0.077 32.620 32.600 0.163 0.000 1.380 380 M HN 0.409 nan 8.290 nan 0.000 0.440 381 K N 0.257 120.677 120.400 0.033 0.000 2.097 381 K HA -0.140 4.182 4.320 0.003 0.000 0.205 381 K C 0.674 177.077 176.600 -0.328 0.000 1.050 381 K CA 1.406 57.594 56.287 -0.166 0.000 0.938 381 K CB 0.143 32.490 32.500 -0.256 0.000 0.718 381 K HN 0.277 nan 8.250 nan 0.000 0.442 382 Y N 0.692 121.033 120.300 0.069 0.000 2.532 382 Y HA 0.137 4.689 4.550 0.003 0.000 0.283 382 Y C 0.019 175.956 175.900 0.062 0.000 1.181 382 Y CA -0.272 57.863 58.100 0.058 0.000 1.256 382 Y CB -0.202 38.288 38.460 0.050 0.000 1.112 382 Y HN 0.195 nan 8.280 nan 0.000 0.521 383 N N 0.957 119.738 118.700 0.135 0.000 2.705 383 N HA -0.220 4.521 4.740 0.003 0.000 0.255 383 N C -1.321 174.256 175.510 0.111 0.000 1.008 383 N CA 0.273 53.386 53.050 0.105 0.000 0.742 383 N CB -1.081 37.444 38.487 0.063 0.000 0.906 383 N HN 0.383 nan 8.380 nan 0.000 0.541 384 L N 1.114 122.429 121.223 0.152 0.000 2.328 384 L HA 0.180 4.521 4.340 0.003 0.000 0.280 384 L C 1.376 178.282 176.870 0.059 0.000 1.111 384 L CA -0.448 54.479 54.840 0.145 0.000 0.909 384 L CB 0.319 42.484 42.059 0.177 0.000 1.277 384 L HN 0.297 nan 8.230 nan 0.000 0.433 385 L N 2.498 123.696 121.223 -0.040 0.000 2.650 385 L HA -0.025 4.317 4.340 0.003 0.000 0.235 385 L C 1.383 177.997 176.870 -0.428 0.000 1.149 385 L CA 0.418 55.087 54.840 -0.284 0.000 0.887 385 L CB -0.601 41.275 42.059 -0.306 0.000 1.021 385 L HN 0.721 nan 8.230 nan 0.000 0.441 386 H N -1.274 117.735 119.070 -0.102 0.000 2.893 386 H HA 0.289 4.847 4.556 0.003 0.000 0.270 386 H C 1.828 177.131 175.328 -0.042 0.000 1.095 386 H CA 0.536 56.537 56.048 -0.079 0.000 1.186 386 H CB 0.851 30.590 29.762 -0.038 0.000 1.562 386 H HN 0.278 nan 8.280 nan 0.000 0.536 387 A N 1.114 123.989 122.820 0.093 0.000 2.067 387 A HA 0.151 4.473 4.320 0.003 0.000 0.217 387 A C 0.473 178.215 177.584 0.263 0.000 1.156 387 A CA 0.612 52.755 52.037 0.178 0.000 0.683 387 A CB -0.257 18.898 19.000 0.259 0.000 0.808 387 A HN 0.313 nan 8.150 nan 0.000 0.455 388 F N -3.593 116.379 119.950 0.037 0.000 2.817 388 F HA 0.580 5.109 4.527 0.003 0.000 0.317 388 F C -1.299 174.533 175.800 0.054 0.000 1.168 388 F CA -2.130 55.904 58.000 0.056 0.000 0.911 388 F CB 0.203 39.291 39.000 0.146 0.000 1.337 388 F HN -0.170 nan 8.300 nan 0.000 0.464 389 D N 1.348 121.839 120.400 0.152 0.000 2.358 389 D HA 0.162 4.804 4.640 0.003 0.000 0.258 389 D C 0.672 176.911 176.300 -0.101 0.000 1.223 389 D CA 0.186 54.185 54.000 -0.002 0.000 0.886 389 D CB 1.187 42.037 40.800 0.082 0.000 1.120 389 D HN 0.500 nan 8.370 nan 0.000 0.482 390 Q N 2.241 121.893 119.800 -0.245 0.000 2.369 390 Q HA -0.004 4.338 4.340 0.003 0.000 0.206 390 Q C -0.039 175.905 176.000 -0.093 0.000 0.963 390 Q CA 0.525 56.194 55.803 -0.223 0.000 0.894 390 Q CB -0.154 28.435 28.738 -0.247 0.000 0.965 390 Q HN 0.518 nan 8.270 nan 0.000 0.475 391 N N 3.145 121.805 118.700 -0.066 0.000 2.483 391 N HA 0.082 4.824 4.740 0.003 0.000 0.264 391 N C -2.334 173.146 175.510 -0.051 0.000 1.197 391 N CA -0.760 52.262 53.050 -0.048 0.000 0.927 391 N CB 0.458 38.924 38.487 -0.035 0.000 1.065 391 N HN 0.053 nan 8.380 nan 0.000 0.461 392 P HA 0.106 nan 4.420 nan 0.000 0.267 392 P C -2.246 174.968 177.300 -0.144 0.000 1.209 392 P CA -0.740 62.293 63.100 -0.113 0.000 0.763 392 P CB -0.178 31.474 31.700 -0.080 0.000 0.816 393 P HA 0.171 nan 4.420 nan 0.000 0.270 393 P C -2.375 174.835 177.300 -0.150 0.000 1.223 393 P CA -1.496 61.438 63.100 -0.277 0.000 0.785 393 P CB -0.759 30.631 31.700 -0.517 0.000 0.923 394 P HA 0.112 nan 4.420 nan 0.000 0.271 394 P C 0.077 177.563 177.300 0.310 0.000 1.220 394 P CA 0.207 63.394 63.100 0.143 0.000 0.768 394 P CB 0.914 32.697 31.700 0.138 0.000 0.848 395 E N 0.850 121.221 120.200 0.284 0.000 2.474 395 E HA 0.193 4.545 4.350 0.003 0.000 0.195 395 E C 0.081 176.871 176.600 0.315 0.000 1.039 395 E CA 0.008 56.614 56.400 0.344 0.000 0.881 395 E CB 0.549 30.416 29.700 0.279 0.000 0.970 395 E HN 0.274 nan 8.360 nan 0.000 0.486 396 V N 0.685 120.751 119.914 0.253 0.000 3.178 396 V HA 0.361 4.482 4.120 0.003 0.000 0.302 396 V C -0.818 175.385 176.094 0.181 0.000 1.262 396 V CA -1.284 61.115 62.300 0.166 0.000 1.030 396 V CB 1.549 33.339 31.823 -0.054 0.000 1.074 396 V HN 0.154 nan 8.190 nan 0.000 0.438 397 F N 0.501 120.477 119.950 0.042 0.000 2.541 397 F HA 0.985 5.513 4.527 0.002 0.000 0.331 397 F C -2.698 173.104 175.800 0.004 0.000 1.057 397 F CA -3.102 54.905 58.000 0.012 0.000 0.975 397 F CB 0.133 39.119 39.000 -0.024 0.000 1.246 397 F HN 0.256 nan 8.300 nan 0.000 0.484 398 P HA 0.101 nan 4.420 nan 0.000 0.267 398 P C 0.167 177.494 177.300 0.045 0.000 1.205 398 P CA -0.152 62.990 63.100 0.070 0.000 0.765 398 P CB 0.653 32.449 31.700 0.160 0.000 0.828 399 E N 2.025 122.186 120.200 -0.064 0.000 2.478 399 E HA -0.148 4.203 4.350 0.003 0.000 0.198 399 E C 0.171 176.800 176.600 0.050 0.000 1.046 399 E CA 0.631 56.998 56.400 -0.055 0.000 0.870 399 E CB -0.273 29.359 29.700 -0.113 0.000 0.818 399 E HN 0.511 nan 8.360 nan 0.000 0.527 400 D N 0.155 120.606 120.400 0.085 0.000 2.340 400 D HA -0.101 4.540 4.640 0.003 0.000 0.217 400 D C -0.113 176.263 176.300 0.127 0.000 1.081 400 D CA -0.517 53.533 54.000 0.084 0.000 0.842 400 D CB -0.411 40.421 40.800 0.053 0.000 0.934 400 D HN 0.191 nan 8.370 nan 0.000 0.511 401 Y N 2.083 122.459 120.300 0.126 0.000 2.377 401 Y HA 0.203 4.755 4.550 0.003 0.000 0.330 401 Y C -0.263 175.721 175.900 0.141 0.000 1.108 401 Y CA -0.437 57.753 58.100 0.151 0.000 1.308 401 Y CB 0.900 39.504 38.460 0.239 0.000 1.216 401 Y HN -0.249 nan 8.280 nan 0.000 0.518 402 D N 6.446 126.579 120.400 -0.444 0.000 2.412 402 D HA 0.085 4.727 4.640 0.003 0.000 0.224 402 D C 0.740 176.934 176.300 -0.177 0.000 1.093 402 D CA -0.382 53.499 54.000 -0.199 0.000 0.850 402 D CB 0.270 40.959 40.800 -0.186 0.000 1.046 402 D HN 0.662 nan 8.370 nan 0.000 0.507 403 I N 0.035 120.719 120.570 0.189 0.000 3.334 403 I HA 0.110 4.282 4.170 0.003 0.000 0.282 403 I C 0.329 176.613 176.117 0.277 0.000 1.313 403 I CA 0.479 61.983 61.300 0.340 0.000 1.396 403 I CB 0.223 38.447 38.000 0.373 0.000 1.054 403 I HN 0.047 nan 8.210 nan 0.000 0.495 404 D N 1.085 121.564 120.400 0.131 0.000 2.349 404 D HA 0.164 4.806 4.640 0.003 0.000 0.214 404 D C 0.342 176.692 176.300 0.084 0.000 1.063 404 D CA 0.456 54.507 54.000 0.084 0.000 0.847 404 D CB 0.715 41.496 40.800 -0.032 0.000 0.933 404 D HN 0.312 nan 8.370 nan 0.000 0.513 405 T N 0.657 115.243 114.554 0.053 0.000 2.916 405 T HA 0.413 4.764 4.350 0.003 0.000 0.292 405 T C -2.590 172.129 174.700 0.032 0.000 1.055 405 T CA -1.479 60.633 62.100 0.019 0.000 1.009 405 T CB 2.586 71.427 68.868 -0.045 0.000 1.118 405 T HN -0.271 nan 8.240 nan 0.000 0.497 406 P HA 0.217 nan 4.420 nan 0.000 0.269 406 P C -2.475 174.843 177.300 0.031 0.000 1.217 406 P CA -0.892 62.228 63.100 0.032 0.000 0.783 406 P CB -0.312 31.396 31.700 0.014 0.000 0.898 407 P HA 0.003 nan 4.420 nan 0.000 0.269 407 P C 0.840 178.169 177.300 0.048 0.000 1.215 407 P CA 0.203 63.368 63.100 0.109 0.000 0.780 407 P CB 0.133 31.900 31.700 0.113 0.000 0.898 408 T N -2.682 111.908 114.554 0.061 0.000 3.054 408 T HA -0.033 4.319 4.350 0.003 0.000 0.259 408 T C 0.730 175.453 174.700 0.038 0.000 1.092 408 T CA 0.170 62.292 62.100 0.036 0.000 1.121 408 T CB -0.746 68.144 68.868 0.036 0.000 0.912 408 T HN 0.430 nan 8.240 nan 0.000 0.489 409 N N 1.030 119.763 118.700 0.055 0.000 2.778 409 N HA -0.224 4.517 4.740 0.003 0.000 0.249 409 N C 0.767 176.304 175.510 0.044 0.000 1.069 409 N CA 1.166 54.242 53.050 0.043 0.000 0.831 409 N CB -1.331 37.167 38.487 0.019 0.000 1.142 409 N HN 0.778 nan 8.380 nan 0.000 0.573 410 E N 0.830 121.060 120.200 0.051 0.000 2.097 410 E HA -0.147 4.204 4.350 0.003 0.000 0.196 410 E C 0.651 177.279 176.600 0.047 0.000 1.000 410 E CA 1.401 57.828 56.400 0.046 0.000 0.804 410 E CB 0.070 29.799 29.700 0.049 0.000 0.740 410 E HN 0.450 nan 8.360 nan 0.000 0.454 411 K N 0.068 120.503 120.400 0.057 0.000 2.478 411 K HA 0.158 4.479 4.320 0.003 0.000 0.205 411 K C -0.728 175.903 176.600 0.052 0.000 1.033 411 K CA -0.139 56.180 56.287 0.053 0.000 1.091 411 K CB 1.455 33.991 32.500 0.060 0.000 0.844 411 K HN -0.087 nan 8.250 nan 0.000 0.507 412 T N 3.171 117.754 114.554 0.049 0.000 2.761 412 T HA 0.181 4.533 4.350 0.003 0.000 0.296 412 T C 0.053 174.778 174.700 0.043 0.000 0.934 412 T CA -0.338 61.789 62.100 0.045 0.000 1.091 412 T CB 0.377 69.267 68.868 0.036 0.000 0.896 412 T HN 0.316 nan 8.240 nan 0.000 0.515 413 R N 2.586 123.113 120.500 0.045 0.000 2.854 413 R HA 0.748 5.090 4.340 0.003 0.000 0.271 413 R C -0.898 175.428 176.300 0.044 0.000 0.996 413 R CA -1.079 55.047 56.100 0.043 0.000 0.961 413 R CB 1.398 31.723 30.300 0.042 0.000 1.182 413 R HN 0.409 nan 8.270 nan 0.000 0.479 414 I N 0.388 120.981 120.570 0.038 0.000 2.499 414 I HA 0.567 4.739 4.170 0.003 0.000 0.296 414 I C 0.393 176.537 176.117 0.044 0.000 0.992 414 I CA -0.115 61.205 61.300 0.034 0.000 1.297 414 I CB 1.934 39.942 38.000 0.013 0.000 1.410 414 I HN 0.928 nan 8.210 nan 0.000 0.507 415 G N 2.718 111.552 108.800 0.056 0.000 2.600 415 G HA2 0.339 4.301 3.960 0.003 0.000 0.293 415 G HA3 0.339 4.301 3.960 0.003 0.000 0.293 415 G C -1.175 173.783 174.900 0.096 0.000 1.408 415 G CA -0.648 44.495 45.100 0.070 0.000 0.782 415 G HN 0.770 nan 8.290 nan 0.000 0.482 416 N N -0.674 118.106 118.700 0.134 0.000 2.453 416 N HA 0.222 4.964 4.740 0.003 0.000 0.267 416 N C 0.464 176.141 175.510 0.279 0.000 1.482 416 N CA -0.493 52.684 53.050 0.211 0.000 0.841 416 N CB 1.255 39.874 38.487 0.219 0.000 1.408 416 N HN 0.773 nan 8.380 nan 0.000 0.490 417 G N 0.560 109.463 108.800 0.172 0.000 2.562 417 G HA2 0.486 4.448 3.960 0.003 0.000 0.275 417 G HA3 0.486 4.448 3.960 0.003 0.000 0.275 417 G C -0.503 174.409 174.900 0.021 0.000 1.196 417 G CA -0.229 44.968 45.100 0.162 0.000 0.908 417 G HN 0.063 nan 8.290 nan 0.000 0.524 418 V N 0.272 120.177 119.914 -0.016 0.000 2.680 418 V HA 0.327 4.448 4.120 0.003 0.000 0.309 418 V C -1.054 174.953 176.094 -0.145 0.000 1.052 418 V CA -0.770 61.452 62.300 -0.130 0.000 0.908 418 V CB 1.637 33.308 31.823 -0.253 0.000 1.001 418 V HN 0.617 nan 8.190 nan 0.000 0.431 419 Y N 2.695 122.964 120.300 -0.052 0.000 2.309 419 Y HA 0.475 5.027 4.550 0.003 0.000 0.327 419 Y C 0.580 176.161 175.900 -0.531 0.000 1.172 419 Y CA 0.113 58.074 58.100 -0.231 0.000 1.280 419 Y CB 0.859 39.202 38.460 -0.194 0.000 1.234 419 Y HN 0.536 nan 8.280 nan 0.000 0.512 420 Q N 2.777 122.262 119.800 -0.525 0.000 2.337 420 Q HA 0.500 4.842 4.340 0.003 0.000 0.270 420 Q C -1.620 173.986 176.000 -0.656 0.000 1.043 420 Q CA -0.701 54.799 55.803 -0.504 0.000 0.794 420 Q CB 1.899 30.530 28.738 -0.178 0.000 1.281 420 Q HN 0.499 nan 8.270 nan 0.000 0.446 421 F N 0.370 120.344 119.950 0.041 0.000 2.575 421 F HA 0.525 5.054 4.527 0.003 0.000 0.330 421 F C 0.330 176.154 175.800 0.040 0.000 1.056 421 F CA -1.046 56.960 58.000 0.010 0.000 0.964 421 F CB 1.037 40.026 39.000 -0.019 0.000 1.258 421 F HN 0.080 nan 8.300 nan 0.000 0.484 422 K N 1.357 121.893 120.400 0.225 0.000 2.156 422 K HA 0.364 4.685 4.320 0.003 0.000 0.271 422 K C -0.698 175.989 176.600 0.145 0.000 0.995 422 K CA -0.910 55.461 56.287 0.140 0.000 0.890 422 K CB 2.090 34.645 32.500 0.092 0.000 1.073 422 K HN 0.614 nan 8.250 nan 0.000 0.454 423 I N 1.750 122.398 120.570 0.130 0.000 2.742 423 I HA -0.032 4.140 4.170 0.003 0.000 0.287 423 I C 1.053 177.221 176.117 0.086 0.000 1.186 423 I CA 1.699 63.075 61.300 0.126 0.000 1.417 423 I CB -0.071 37.997 38.000 0.113 0.000 1.377 423 I HN 0.946 nan 8.210 nan 0.000 0.556 424 G N 4.548 113.394 108.800 0.077 0.000 2.195 424 G HA2 -0.216 3.746 3.960 0.003 0.000 0.224 424 G HA3 -0.216 3.746 3.960 0.003 0.000 0.224 424 G C 0.275 175.178 174.900 0.006 0.000 0.990 424 G CA 0.026 45.151 45.100 0.042 0.000 0.639 424 G HN 0.654 nan 8.290 nan 0.000 0.514 425 E N 0.340 120.534 120.200 -0.010 0.000 2.413 425 E HA 0.365 4.717 4.350 0.003 0.000 0.263 425 E C 0.209 176.702 176.600 -0.177 0.000 1.015 425 E CA -0.069 56.287 56.400 -0.074 0.000 0.916 425 E CB 1.485 31.140 29.700 -0.076 0.000 0.947 425 E HN 0.131 nan 8.360 nan 0.000 0.440 426 V N 4.286 124.101 119.914 -0.165 0.000 2.432 426 V HA 0.162 4.284 4.120 0.003 0.000 0.275 426 V C -0.010 175.874 176.094 -0.350 0.000 1.043 426 V CA -0.450 61.716 62.300 -0.223 0.000 0.925 426 V CB 1.318 33.086 31.823 -0.092 0.000 0.985 426 V HN 0.342 nan 8.190 nan 0.000 0.466 427 V N 3.924 123.415 119.914 -0.704 0.000 2.540 427 V HA 0.517 4.638 4.120 0.003 0.000 0.302 427 V C -0.707 174.958 176.094 -0.716 0.000 1.035 427 V CA -0.778 61.013 62.300 -0.848 0.000 0.873 427 V CB 2.062 32.974 31.823 -1.517 0.000 0.992 427 V HN 0.800 nan 8.190 nan 0.000 0.428 428 D N 2.223 122.289 120.400 -0.558 0.000 2.185 428 D HA 0.700 5.342 4.640 0.003 0.000 0.247 428 D C -0.855 175.133 176.300 -0.519 0.000 1.027 428 D CA -0.065 53.612 54.000 -0.539 0.000 0.861 428 D CB 2.214 42.564 40.800 -0.750 0.000 1.202 428 D HN 0.313 nan 8.370 nan 0.000 0.453 429 V N 3.254 122.905 119.914 -0.438 0.000 2.525 429 V HA 0.337 4.459 4.120 0.003 0.000 0.299 429 V C -0.702 175.117 176.094 -0.459 0.000 1.034 429 V CA -0.805 61.265 62.300 -0.384 0.000 0.863 429 V CB 1.653 33.371 31.823 -0.176 0.000 0.999 429 V HN 0.408 nan 8.190 nan 0.000 0.423 430 I N 5.972 126.184 120.570 -0.597 0.000 2.330 430 I HA 0.426 4.598 4.170 0.003 0.000 0.289 430 I C -0.195 175.745 176.117 -0.295 0.000 1.001 430 I CA -0.457 60.506 61.300 -0.563 0.000 1.193 430 I CB 1.394 38.823 38.000 -0.952 0.000 1.345 430 I HN 0.410 nan 8.210 nan 0.000 0.461 431 L N 6.081 127.172 121.223 -0.221 0.000 2.264 431 L HA 0.365 4.707 4.340 0.003 0.000 0.289 431 L C 0.052 176.892 176.870 -0.049 0.000 1.044 431 L CA -0.472 54.214 54.840 -0.257 0.000 0.807 431 L CB 1.094 42.889 42.059 -0.441 0.000 1.192 431 L HN 0.508 nan 8.230 nan 0.000 0.425 432 Q N 3.410 123.180 119.800 -0.050 0.000 2.333 432 Q HA 0.317 4.659 4.340 0.003 0.000 0.265 432 Q C -0.683 175.312 176.000 -0.008 0.000 0.989 432 Q CA -0.357 55.473 55.803 0.045 0.000 0.842 432 Q CB 1.253 29.969 28.738 -0.036 0.000 1.262 432 Q HN 0.464 nan 8.270 nan 0.000 0.451 433 N N 2.024 120.787 118.700 0.106 0.000 2.445 433 N HA 0.794 5.536 4.740 0.003 0.000 0.264 433 N C -1.430 174.155 175.510 0.125 0.000 1.227 433 N CA 0.285 53.404 53.050 0.114 0.000 0.963 433 N CB 1.271 39.844 38.487 0.143 0.000 1.188 433 N HN 0.716 nan 8.380 nan 0.000 0.491 434 A N 0.908 123.799 122.820 0.118 0.000 2.568 434 A HA 0.412 4.733 4.320 0.003 0.000 0.291 434 A C -0.776 176.882 177.584 0.122 0.000 1.159 434 A CA -0.763 51.389 52.037 0.193 0.000 0.679 434 A CB 0.415 19.536 19.000 0.202 0.000 1.285 434 A HN 0.743 nan 8.150 nan 0.000 0.428 435 N N -0.153 118.692 118.700 0.242 0.000 2.508 435 N HA 0.448 5.189 4.740 0.003 0.000 0.264 435 N C 0.502 176.073 175.510 0.101 0.000 1.216 435 N CA 0.172 53.336 53.050 0.190 0.000 0.943 435 N CB 0.236 38.914 38.487 0.318 0.000 1.113 435 N HN 0.588 nan 8.380 nan 0.000 0.447 436 M N 1.464 121.088 119.600 0.041 0.000 2.088 436 M HA 0.190 4.672 4.480 0.003 0.000 0.197 436 M C 1.314 177.585 176.300 -0.049 0.000 1.105 436 M CA -0.497 54.778 55.300 -0.041 0.000 1.275 436 M CB 0.151 32.721 32.600 -0.050 0.000 1.111 436 M HN 0.525 nan 8.290 nan 0.000 0.664 437 M N 0.174 119.707 119.600 -0.112 0.000 2.236 437 M HA 0.066 4.548 4.480 0.003 0.000 0.266 437 M C 0.690 176.968 176.300 -0.037 0.000 1.070 437 M CA 1.032 56.284 55.300 -0.079 0.000 1.137 437 M CB -0.851 31.679 32.600 -0.117 0.000 1.378 437 M HN 0.387 nan 8.290 nan 0.000 0.426 438 K N 2.167 122.547 120.400 -0.033 0.000 2.355 438 K HA 0.015 4.337 4.320 0.003 0.000 0.270 438 K C -0.330 176.291 176.600 0.036 0.000 1.003 438 K CA 0.099 56.387 56.287 0.001 0.000 0.957 438 K CB 0.661 33.163 32.500 0.005 0.000 0.939 438 K HN 0.176 nan 8.250 nan 0.000 0.482 439 E N 2.632 122.860 120.200 0.046 0.000 2.344 439 E HA -0.080 4.272 4.350 0.003 0.000 0.270 439 E C -0.095 176.568 176.600 0.104 0.000 1.021 439 E CA 0.034 56.475 56.400 0.068 0.000 0.887 439 E CB 0.360 30.091 29.700 0.052 0.000 0.997 439 E HN 0.697 nan 8.360 nan 0.000 0.429 440 N N 1.465 120.258 118.700 0.154 0.000 2.780 440 N HA -0.198 4.543 4.740 0.003 0.000 0.247 440 N C -1.859 173.805 175.510 0.256 0.000 1.076 440 N CA 0.272 53.456 53.050 0.223 0.000 0.688 440 N CB -0.844 37.732 38.487 0.149 0.000 0.957 440 N HN 0.342 nan 8.380 nan 0.000 0.551 441 L N 0.006 121.362 121.223 0.221 0.000 2.436 441 L HA 0.815 5.157 4.340 0.003 0.000 0.268 441 L C -0.863 175.988 176.870 -0.031 0.000 0.974 441 L CA -0.432 54.484 54.840 0.126 0.000 0.826 441 L CB 1.999 44.116 42.059 0.097 0.000 1.291 441 L HN 0.113 nan 8.230 nan 0.000 0.406 442 S N 3.005 118.589 115.700 -0.195 0.000 2.536 442 S HA 0.728 5.200 4.470 0.003 0.000 0.271 442 S C -1.165 173.335 174.600 -0.166 0.000 1.134 442 S CA -0.551 57.454 58.200 -0.325 0.000 0.897 442 S CB 1.331 63.941 63.200 -0.984 0.000 1.094 442 S HN 0.773 nan 8.310 nan 0.000 0.473 443 E N 0.727 120.887 120.200 -0.068 0.000 2.334 443 E HA 0.538 4.889 4.350 0.003 0.000 0.256 443 E C -0.682 175.745 176.600 -0.287 0.000 0.958 443 E CA -1.029 55.304 56.400 -0.112 0.000 0.821 443 E CB 1.561 31.223 29.700 -0.064 0.000 1.269 443 E HN 0.683 nan 8.360 nan 0.000 0.413 444 T N -1.115 113.276 114.554 -0.272 0.000 2.882 444 T HA 0.373 4.725 4.350 0.003 0.000 0.287 444 T C -0.467 173.956 174.700 -0.461 0.000 0.992 444 T CA -0.711 61.207 62.100 -0.304 0.000 1.076 444 T CB 0.689 69.453 68.868 -0.173 0.000 0.961 444 T HN 0.335 nan 8.240 nan 0.000 0.490 445 H N 2.825 121.860 119.070 -0.059 0.000 2.744 445 H HA 0.388 4.946 4.556 0.003 0.000 0.339 445 H C -2.759 172.566 175.328 -0.004 0.000 1.004 445 H CA -1.856 54.181 56.048 -0.019 0.000 1.257 445 H CB 2.350 32.129 29.762 0.027 0.000 1.552 445 H HN 0.526 nan 8.280 nan 0.000 0.522 446 P HA 0.075 nan 4.420 nan 0.000 0.287 446 P C -0.627 176.728 177.300 0.091 0.000 1.281 446 P CA -0.357 62.797 63.100 0.091 0.000 0.781 446 P CB 0.841 32.606 31.700 0.109 0.000 0.903 447 W N 2.726 124.051 121.300 0.042 0.000 2.520 447 W HA 0.370 5.031 4.660 0.002 0.000 0.323 447 W C 0.359 176.962 176.519 0.140 0.000 1.062 447 W CA 0.337 57.655 57.345 -0.045 0.000 1.215 447 W CB 1.179 30.523 29.460 -0.194 0.000 1.340 447 W HN 0.448 nan 8.180 nan 0.000 0.516 448 H N 3.362 122.486 119.070 0.091 0.000 2.589 448 H HA 0.533 5.090 4.556 0.003 0.000 0.351 448 H C -1.659 173.846 175.328 0.296 0.000 1.074 448 H CA -0.745 55.408 56.048 0.175 0.000 1.203 448 H CB 1.216 31.017 29.762 0.064 0.000 1.558 448 H HN 0.450 nan 8.280 nan 0.000 0.522 449 L N 5.849 126.963 121.223 -0.182 0.000 2.307 449 L HA 0.375 4.716 4.340 0.003 0.000 0.284 449 L C -0.283 176.317 176.870 -0.450 0.000 1.023 449 L CA -0.700 54.045 54.840 -0.157 0.000 0.810 449 L CB 0.826 42.754 42.059 -0.218 0.000 1.231 449 L HN 0.796 nan 8.230 nan 0.000 0.423 450 H N 2.805 121.700 119.070 -0.291 0.000 2.505 450 H HA 0.138 4.695 4.556 0.003 0.000 0.351 450 H C 0.877 176.071 175.328 -0.224 0.000 1.151 450 H CA 0.383 56.369 56.048 -0.103 0.000 1.339 450 H CB 1.434 31.303 29.762 0.178 0.000 1.483 450 H HN 0.934 nan 8.280 nan 0.000 0.558 451 G N 1.863 110.409 108.800 -0.424 0.000 2.187 451 G HA2 -0.268 3.694 3.960 0.003 0.000 0.261 451 G HA3 -0.268 3.694 3.960 0.003 0.000 0.261 451 G C -0.418 173.719 174.900 -1.272 0.000 1.000 451 G CA 0.843 45.175 45.100 -1.280 0.000 0.718 451 G HN 0.853 nan 8.290 nan 0.000 0.519 452 H N -1.332 117.378 119.070 -0.600 0.000 3.014 452 H HA 0.616 5.174 4.556 0.003 0.000 0.337 452 H C -1.384 173.682 175.328 -0.437 0.000 1.320 452 H CA -0.882 54.876 56.048 -0.484 0.000 1.128 452 H CB 1.243 30.707 29.762 -0.497 0.000 1.862 452 H HN 0.085 nan 8.280 nan 0.000 0.536 453 D N 0.884 121.111 120.400 -0.288 0.000 2.457 453 D HA 0.370 5.012 4.640 0.003 0.000 0.240 453 D C -0.774 175.277 176.300 -0.415 0.000 1.041 453 D CA -0.406 53.314 54.000 -0.465 0.000 0.861 453 D CB 1.942 42.478 40.800 -0.440 0.000 1.394 453 D HN 0.285 nan 8.370 nan 0.000 0.473 454 F N -1.366 118.386 119.950 -0.329 0.000 2.611 454 F HA 0.643 5.172 4.527 0.003 0.000 0.324 454 F C -0.605 175.019 175.800 -0.293 0.000 1.061 454 F CA -1.450 56.390 58.000 -0.266 0.000 0.954 454 F CB 0.889 39.830 39.000 -0.099 0.000 1.301 454 F HN 0.145 nan 8.300 nan 0.000 0.482 455 W N 1.664 123.153 121.300 0.315 0.000 2.365 455 W HA 0.537 5.198 4.660 0.003 0.000 0.316 455 W C -1.007 175.644 176.519 0.221 0.000 1.164 455 W CA -0.977 56.486 57.345 0.198 0.000 1.204 455 W CB 1.881 31.401 29.460 0.100 0.000 1.213 455 W HN 0.223 nan 8.180 nan 0.000 0.539 456 V N 5.806 125.938 119.914 0.363 0.000 2.353 456 V HA -0.032 4.089 4.120 0.003 0.000 0.264 456 V C 0.919 177.062 176.094 0.081 0.000 1.049 456 V CA -0.306 62.094 62.300 0.167 0.000 0.896 456 V CB 0.807 32.709 31.823 0.132 0.000 1.025 456 V HN 0.410 nan 8.190 nan 0.000 0.475 457 L N 4.136 125.373 121.223 0.024 0.000 2.179 457 L HA 0.395 4.737 4.340 0.003 0.000 0.208 457 L C 1.185 178.046 176.870 -0.015 0.000 1.096 457 L CA 1.629 56.481 54.840 0.020 0.000 0.779 457 L CB -0.688 41.376 42.059 0.008 0.000 0.922 457 L HN 0.854 nan 8.230 nan 0.000 0.443 458 G N -3.473 105.245 108.800 -0.138 0.000 2.322 458 G HA2 0.378 4.339 3.960 0.003 0.000 0.295 458 G HA3 0.378 4.339 3.960 0.003 0.000 0.295 458 G C -2.061 172.523 174.900 -0.528 0.000 1.369 458 G CA -0.630 44.358 45.100 -0.187 0.000 0.821 458 G HN -0.180 nan 8.290 nan 0.000 0.536 459 Y N -1.146 118.814 120.300 -0.565 0.000 2.588 459 Y HA 0.828 5.380 4.550 0.003 0.000 0.343 459 Y C 0.659 175.763 175.900 -1.327 0.000 1.065 459 Y CA -0.037 57.545 58.100 -0.863 0.000 1.038 459 Y CB 2.566 40.740 38.460 -0.476 0.000 1.297 459 Y HN 1.214 nan 8.280 nan 0.000 0.467 460 G N 0.243 108.201 108.800 -1.403 0.000 2.550 460 G HA2 0.495 4.457 3.960 0.003 0.000 0.293 460 G HA3 0.495 4.457 3.960 0.003 0.000 0.293 460 G C -2.215 172.424 174.900 -0.436 0.000 1.402 460 G CA -0.950 43.655 45.100 -0.825 0.000 0.784 460 G HN 0.448 nan 8.290 nan 0.000 0.482 461 D N -0.668 119.752 120.400 0.033 0.000 2.217 461 D HA 0.626 5.267 4.640 0.003 0.000 0.248 461 D C 0.879 177.382 176.300 0.338 0.000 1.008 461 D CA 1.111 55.211 54.000 0.167 0.000 0.914 461 D CB 1.640 42.521 40.800 0.134 0.000 1.182 461 D HN 1.136 nan 8.370 nan 0.000 0.451 462 G N 0.913 109.913 108.800 0.333 0.000 2.598 462 G HA2 -0.272 3.689 3.960 0.003 0.000 0.244 462 G HA3 -0.272 3.689 3.960 0.003 0.000 0.244 462 G C -0.386 174.804 174.900 0.484 0.000 1.302 462 G CA -0.426 44.879 45.100 0.342 0.000 0.903 462 G HN 0.652 nan 8.290 nan 0.000 0.575 463 K N -0.297 120.330 120.400 0.379 0.000 2.201 463 K HA 0.533 4.854 4.320 0.003 0.000 0.278 463 K C 0.203 176.962 176.600 0.265 0.000 1.027 463 K CA -0.736 55.775 56.287 0.373 0.000 0.909 463 K CB 0.428 33.108 32.500 0.301 0.000 1.062 463 K HN 0.541 nan 8.250 nan 0.000 0.465 464 F N 3.688 123.610 119.950 -0.047 0.000 2.572 464 F HA 0.038 4.567 4.527 0.002 0.000 0.370 464 F C -0.041 175.625 175.800 -0.224 0.000 1.103 464 F CA 0.783 58.456 58.000 -0.546 0.000 1.286 464 F CB 0.501 39.035 39.000 -0.776 0.000 1.105 464 F HN 0.605 nan 8.300 nan 0.000 0.583 465 S N 3.866 119.005 115.700 -0.936 0.000 2.697 465 S HA 0.728 5.200 4.470 0.003 0.000 0.289 465 S C 0.419 174.471 174.600 -0.912 0.000 1.149 465 S CA -0.514 57.291 58.200 -0.659 0.000 0.850 465 S CB 1.118 64.133 63.200 -0.308 0.000 1.151 465 S HN 0.965 nan 8.310 nan 0.000 0.491 466 A N 0.385 122.920 122.820 -0.476 0.000 2.076 466 A HA -0.055 4.267 4.320 0.003 0.000 0.220 466 A C 1.708 179.131 177.584 -0.268 0.000 1.160 466 A CA 1.713 53.557 52.037 -0.323 0.000 0.653 466 A CB -1.105 17.799 19.000 -0.161 0.000 0.801 466 A HN 0.901 nan 8.150 nan 0.000 0.455 467 E N 0.017 120.067 120.200 -0.249 0.000 2.268 467 E HA -0.137 4.215 4.350 0.003 0.000 0.195 467 E C 1.272 177.790 176.600 -0.137 0.000 0.995 467 E CA 1.047 57.360 56.400 -0.145 0.000 0.836 467 E CB -0.015 29.625 29.700 -0.100 0.000 0.763 467 E HN 0.652 nan 8.360 nan 0.000 0.491 468 E N 0.521 120.550 120.200 -0.286 0.000 2.479 468 E HA -0.078 4.274 4.350 0.003 0.000 0.193 468 E C 1.389 177.965 176.600 -0.040 0.000 1.049 468 E CA 0.211 56.523 56.400 -0.146 0.000 0.870 468 E CB 0.297 29.819 29.700 -0.295 0.000 0.944 468 E HN 0.190 nan 8.360 nan 0.000 0.492 469 E N 1.786 121.931 120.200 -0.090 0.000 2.085 469 E HA -0.154 4.198 4.350 0.003 0.000 0.194 469 E C 1.899 178.555 176.600 0.094 0.000 0.994 469 E CA 1.792 58.232 56.400 0.067 0.000 0.801 469 E CB -0.078 29.651 29.700 0.047 0.000 0.743 469 E HN 0.162 nan 8.360 nan 0.000 0.453 470 S N -0.613 115.122 115.700 0.058 0.000 2.507 470 S HA -0.117 4.355 4.470 0.003 0.000 0.235 470 S C 1.899 176.548 174.600 0.083 0.000 0.988 470 S CA 0.853 59.090 58.200 0.061 0.000 0.944 470 S CB -0.398 62.825 63.200 0.038 0.000 0.762 470 S HN 0.309 nan 8.310 nan 0.000 0.526 471 S N 1.158 116.932 115.700 0.123 0.000 2.562 471 S HA 0.264 4.736 4.470 0.003 0.000 0.221 471 S C 0.579 175.268 174.600 0.148 0.000 0.975 471 S CA -0.470 57.814 58.200 0.140 0.000 0.918 471 S CB -0.704 62.611 63.200 0.192 0.000 0.772 471 S HN 0.485 nan 8.310 nan 0.000 0.531 472 L N 3.120 124.439 121.223 0.160 0.000 2.455 472 L HA 0.230 4.572 4.340 0.003 0.000 0.272 472 L C 0.470 177.384 176.870 0.073 0.000 1.174 472 L CA -0.356 54.564 54.840 0.133 0.000 0.869 472 L CB -0.067 42.069 42.059 0.128 0.000 1.130 472 L HN 0.206 nan 8.230 nan 0.000 0.474 473 N N 4.315 123.050 118.700 0.057 0.000 2.401 473 N HA 0.156 4.898 4.740 0.003 0.000 0.255 473 N C 0.051 175.568 175.510 0.011 0.000 1.110 473 N CA 0.103 53.175 53.050 0.037 0.000 0.949 473 N CB 0.788 39.302 38.487 0.045 0.000 1.110 473 N HN 0.568 nan 8.380 nan 0.000 0.490 474 L N 2.893 124.109 121.223 -0.012 0.000 2.808 474 L HA 0.222 4.563 4.340 0.003 0.000 0.246 474 L C 1.891 178.717 176.870 -0.075 0.000 1.153 474 L CA -0.079 54.722 54.840 -0.066 0.000 0.956 474 L CB 0.214 42.236 42.059 -0.062 0.000 1.270 474 L HN 0.516 nan 8.230 nan 0.000 0.528 475 K N 0.560 120.943 120.400 -0.029 0.000 2.161 475 K HA 0.051 4.373 4.320 0.003 0.000 0.205 475 K C 0.906 177.508 176.600 0.003 0.000 1.035 475 K CA 0.794 57.071 56.287 -0.017 0.000 0.970 475 K CB 0.415 32.917 32.500 0.003 0.000 0.866 475 K HN 0.094 nan 8.250 nan 0.000 0.461 476 N N 1.063 119.782 118.700 0.032 0.000 2.235 476 N HA 0.183 4.925 4.740 0.003 0.000 0.231 476 N C -2.714 172.864 175.510 0.113 0.000 1.177 476 N CA -1.521 51.571 53.050 0.070 0.000 0.874 476 N CB 0.733 39.259 38.487 0.065 0.000 1.097 476 N HN 0.173 nan 8.380 nan 0.000 0.518 477 P HA 0.142 nan 4.420 nan 0.000 0.268 477 P C -2.814 174.666 177.300 0.300 0.000 1.205 477 P CA -0.821 62.399 63.100 0.201 0.000 0.771 477 P CB 0.621 32.436 31.700 0.191 0.000 0.858 478 P HA 0.198 nan 4.420 nan 0.000 0.275 478 P C -0.379 177.010 177.300 0.148 0.000 1.228 478 P CA -0.122 63.098 63.100 0.200 0.000 0.786 478 P CB 0.777 32.580 31.700 0.172 0.000 0.927 479 L N 4.132 125.357 121.223 0.004 0.000 2.290 479 L HA 0.376 4.718 4.340 0.003 0.000 0.284 479 L C 1.120 177.837 176.870 -0.255 0.000 1.078 479 L CA -0.033 54.658 54.840 -0.249 0.000 0.815 479 L CB 0.354 42.223 42.059 -0.316 0.000 1.162 479 L HN 0.327 nan 8.230 nan 0.000 0.435 480 R N 1.732 121.954 120.500 -0.464 0.000 2.831 480 R HA 0.331 4.672 4.340 0.003 0.000 0.266 480 R C -0.166 175.552 176.300 -0.970 0.000 1.051 480 R CA -0.755 55.051 56.100 -0.490 0.000 0.943 480 R CB 1.318 31.479 30.300 -0.233 0.000 1.228 480 R HN 0.666 nan 8.270 nan 0.000 0.467 481 N N -2.016 116.349 118.700 -0.558 0.000 2.193 481 N HA 0.064 4.806 4.740 0.003 0.000 0.210 481 N C -0.687 174.869 175.510 0.076 0.000 1.215 481 N CA 0.012 52.795 53.050 -0.446 0.000 0.901 481 N CB 0.985 39.428 38.487 -0.074 0.000 1.060 481 N HN 0.286 nan 8.380 nan 0.000 0.508 482 T N 0.348 115.030 114.554 0.213 0.000 2.861 482 T HA 0.616 4.968 4.350 0.003 0.000 0.287 482 T C -1.550 173.404 174.700 0.423 0.000 1.003 482 T CA -0.632 61.711 62.100 0.404 0.000 0.977 482 T CB 2.427 71.469 68.868 0.291 0.000 0.996 482 T HN -0.044 nan 8.240 nan 0.000 0.448 483 V N 3.287 123.477 119.914 0.460 0.000 2.971 483 V HA 0.697 4.819 4.120 0.003 0.000 0.309 483 V C -1.009 175.224 176.094 0.232 0.000 1.130 483 V CA -0.564 61.957 62.300 0.369 0.000 0.964 483 V CB 2.345 34.389 31.823 0.369 0.000 1.029 483 V HN 0.735 nan 8.190 nan 0.000 0.427 484 V N 6.034 126.021 119.914 0.122 0.000 2.716 484 V HA 0.562 4.684 4.120 0.003 0.000 0.304 484 V C -0.063 176.006 176.094 -0.042 0.000 1.053 484 V CA -0.536 61.675 62.300 -0.149 0.000 0.984 484 V CB 1.670 33.086 31.823 -0.679 0.000 1.021 484 V HN 0.757 nan 8.190 nan 0.000 0.467 485 I N 0.177 120.697 120.570 -0.082 0.000 2.404 485 I HA 0.599 4.771 4.170 0.003 0.000 0.293 485 I C -0.800 175.212 176.117 -0.175 0.000 0.992 485 I CA -0.406 60.898 61.300 0.006 0.000 1.149 485 I CB 1.231 39.296 38.000 0.108 0.000 1.315 485 I HN 0.291 nan 8.210 nan 0.000 0.446 486 F N 4.717 124.688 119.950 0.036 0.000 2.378 486 F HA 0.460 4.989 4.527 0.003 0.000 0.319 486 F C -1.879 173.852 175.800 -0.115 0.000 1.155 486 F CA -2.145 55.815 58.000 -0.067 0.000 1.157 486 F CB 0.179 39.148 39.000 -0.051 0.000 1.252 486 F HN 0.277 nan 8.300 nan 0.000 0.550 487 P HA -0.141 nan 4.420 nan 0.000 0.257 487 P C -0.920 176.380 177.300 0.001 0.000 1.162 487 P CA 0.896 63.859 63.100 -0.228 0.000 0.762 487 P CB -0.344 31.112 31.700 -0.407 0.000 0.753 488 Y N -0.169 120.188 120.300 0.095 0.000 4.324 488 Y HA -0.247 4.304 4.550 0.002 0.000 0.224 488 Y C 1.371 177.374 175.900 0.172 0.000 1.113 488 Y CA 1.201 59.381 58.100 0.133 0.000 1.887 488 Y CB -2.207 36.319 38.460 0.110 0.000 1.602 488 Y HN 0.493 nan 8.280 nan 0.000 0.654 489 G N -0.940 108.020 108.800 0.268 0.000 2.667 489 G HA2 0.638 4.600 3.960 0.003 0.000 0.310 489 G HA3 0.638 4.600 3.960 0.003 0.000 0.310 489 G C -0.501 174.578 174.900 0.299 0.000 1.259 489 G CA -0.452 44.798 45.100 0.250 0.000 1.019 489 G HN 0.408 nan 8.290 nan 0.000 0.496 490 W N -1.063 120.381 121.300 0.241 0.000 2.820 490 W HA 0.772 5.434 4.660 0.003 0.000 0.350 490 W C -1.477 175.120 176.519 0.129 0.000 1.116 490 W CA -1.137 56.303 57.345 0.157 0.000 1.146 490 W CB 0.884 30.456 29.460 0.186 0.000 1.433 490 W HN 0.518 nan 8.180 nan 0.000 0.561 491 T N 1.438 116.151 114.554 0.265 0.000 2.952 491 T HA 0.589 4.941 4.350 0.003 0.000 0.305 491 T C -0.913 173.800 174.700 0.021 0.000 1.064 491 T CA -0.368 61.727 62.100 -0.010 0.000 1.008 491 T CB 1.716 70.528 68.868 -0.094 0.000 1.078 491 T HN 0.643 nan 8.240 nan 0.000 0.459 492 A N 3.365 126.169 122.820 -0.028 0.000 2.318 492 A HA 0.932 5.254 4.320 0.003 0.000 0.324 492 A C -0.314 177.141 177.584 -0.215 0.000 1.170 492 A CA -0.842 51.093 52.037 -0.170 0.000 0.810 492 A CB 0.290 19.202 19.000 -0.147 0.000 1.198 492 A HN 0.939 nan 8.150 nan 0.000 0.484 493 I N -0.772 119.636 120.570 -0.270 0.000 2.934 493 I HA 0.876 5.048 4.170 0.003 0.000 0.306 493 I C -0.527 175.511 176.117 -0.133 0.000 1.110 493 I CA -1.125 60.045 61.300 -0.218 0.000 1.019 493 I CB 2.205 39.867 38.000 -0.564 0.000 1.227 493 I HN 0.713 nan 8.210 nan 0.000 0.434 494 R N 3.394 123.941 120.500 0.078 0.000 2.686 494 R HA 0.772 5.114 4.340 0.003 0.000 0.283 494 R C -1.969 174.536 176.300 0.341 0.000 0.978 494 R CA -0.459 55.697 56.100 0.093 0.000 0.897 494 R CB 2.046 32.416 30.300 0.116 0.000 1.192 494 R HN 0.791 nan 8.270 nan 0.000 0.457 495 F N 0.167 120.145 119.950 0.046 0.000 2.686 495 F HA 0.593 5.121 4.527 0.003 0.000 0.311 495 F C -1.884 173.914 175.800 -0.002 0.000 1.128 495 F CA -1.195 56.833 58.000 0.047 0.000 0.946 495 F CB 1.022 39.951 39.000 -0.117 0.000 1.336 495 F HN 0.076 nan 8.300 nan 0.000 0.457 496 V N 2.031 122.026 119.914 0.134 0.000 2.398 496 V HA 0.652 4.773 4.120 0.003 0.000 0.286 496 V C 0.442 176.612 176.094 0.127 0.000 1.026 496 V CA -0.547 61.761 62.300 0.015 0.000 0.868 496 V CB 1.166 33.060 31.823 0.118 0.000 0.982 496 V HN 1.105 nan 8.190 nan 0.000 0.443 497 A N 3.454 126.262 122.820 -0.020 0.000 3.030 497 A HA 0.262 4.584 4.320 0.003 0.000 0.273 497 A C 0.652 178.363 177.584 0.211 0.000 1.841 497 A CA -0.131 52.009 52.037 0.171 0.000 1.479 497 A CB -0.741 18.291 19.000 0.053 0.000 1.048 497 A HN 0.933 nan 8.150 nan 0.000 0.612 498 D N -0.496 120.034 120.400 0.217 0.000 2.525 498 D HA 0.078 4.720 4.640 0.003 0.000 0.229 498 D C -0.222 176.149 176.300 0.118 0.000 1.202 498 D CA -0.283 53.801 54.000 0.140 0.000 0.828 498 D CB -0.076 40.779 40.800 0.093 0.000 1.008 498 D HN 0.191 nan 8.370 nan 0.000 0.493 499 N N 1.153 119.958 118.700 0.176 0.000 2.664 499 N HA 0.284 5.026 4.740 0.003 0.000 0.257 499 N C -2.957 172.790 175.510 0.395 0.000 1.108 499 N CA -1.882 51.245 53.050 0.127 0.000 0.822 499 N CB 1.510 39.833 38.487 -0.273 0.000 1.199 499 N HN -0.191 nan 8.380 nan 0.000 0.529 500 P HA 0.222 nan 4.420 nan 0.000 0.260 500 P C 0.159 177.639 177.300 0.301 0.000 1.185 500 P CA 0.654 63.922 63.100 0.281 0.000 0.763 500 P CB 0.451 32.255 31.700 0.174 0.000 0.776 501 G N 1.120 110.019 108.800 0.164 0.000 2.356 501 G HA2 0.247 4.209 3.960 0.003 0.000 0.288 501 G HA3 0.247 4.209 3.960 0.003 0.000 0.288 501 G C -1.902 172.664 174.900 -0.558 0.000 1.302 501 G CA -0.691 44.248 45.100 -0.268 0.000 0.887 501 G HN 0.309 nan 8.290 nan 0.000 0.521 502 V N 0.083 119.442 119.914 -0.925 0.000 2.444 502 V HA 0.690 4.812 4.120 0.003 0.000 0.294 502 V C -1.086 174.575 176.094 -0.721 0.000 1.022 502 V CA -0.324 61.624 62.300 -0.587 0.000 0.850 502 V CB 1.231 32.878 31.823 -0.294 0.000 0.992 502 V HN 0.655 nan 8.190 nan 0.000 0.426 503 W N 2.877 124.232 121.300 0.091 0.000 2.600 503 W HA 0.784 5.446 4.660 0.003 0.000 0.325 503 W C 0.239 176.723 176.519 -0.059 0.000 1.034 503 W CA -0.664 56.718 57.345 0.061 0.000 1.226 503 W CB 1.801 31.383 29.460 0.203 0.000 1.379 503 W HN 0.667 nan 8.180 nan 0.000 0.466 504 A N 3.335 126.118 122.820 -0.062 0.000 2.371 504 A HA 0.630 4.951 4.320 0.003 0.000 0.257 504 A C -1.525 176.069 177.584 0.016 0.000 1.089 504 A CA -0.028 51.917 52.037 -0.152 0.000 0.794 504 A CB 0.358 19.107 19.000 -0.419 0.000 1.029 504 A HN 0.575 nan 8.150 nan 0.000 0.488 505 F N 3.029 122.875 119.950 -0.172 0.000 2.579 505 F HA 0.596 5.125 4.527 0.003 0.000 0.325 505 F C -0.653 175.136 175.800 -0.019 0.000 1.162 505 F CA -0.846 57.027 58.000 -0.211 0.000 0.946 505 F CB 1.221 39.838 39.000 -0.637 0.000 1.211 505 F HN 0.914 nan 8.300 nan 0.000 0.447 506 H N 2.128 121.019 119.070 -0.297 0.000 3.017 506 H HA 0.449 5.007 4.556 0.003 0.000 0.346 506 H C -1.276 173.388 175.328 -1.106 0.000 1.286 506 H CA -1.416 54.186 56.048 -0.743 0.000 1.120 506 H CB 0.790 30.349 29.762 -0.339 0.000 1.860 506 H HN 0.704 nan 8.280 nan 0.000 0.542 507 C N 2.255 120.711 119.300 -1.407 0.000 2.648 507 C HA 0.044 4.505 4.460 0.003 0.000 0.419 507 C C 1.512 176.363 174.990 -0.232 0.000 1.352 507 C CA -0.000 58.410 59.018 -1.013 0.000 1.816 507 C CB -1.089 26.161 27.740 -0.816 0.000 2.598 507 C HN 1.023 nan 8.230 nan 0.000 0.598 508 H N 4.423 123.392 119.070 -0.168 0.000 2.547 508 H HA 0.241 4.798 4.556 0.003 0.000 0.274 508 H C 0.495 175.799 175.328 -0.041 0.000 1.024 508 H CA 0.417 56.480 56.048 0.025 0.000 1.155 508 H CB 0.009 29.815 29.762 0.072 0.000 1.344 508 H HN 0.649 nan 8.280 nan 0.000 0.598 509 I N 1.714 122.251 120.570 -0.055 0.000 2.396 509 I HA -0.074 4.098 4.170 0.003 0.000 0.289 509 I C 1.591 177.589 176.117 -0.198 0.000 1.056 509 I CA -0.092 61.111 61.300 -0.161 0.000 1.365 509 I CB 1.551 39.312 38.000 -0.399 0.000 1.407 509 I HN 0.111 nan 8.210 nan 0.000 0.509 510 E N 8.851 128.935 120.200 -0.193 0.000 2.058 510 E HA -0.165 4.187 4.350 0.003 0.000 0.194 510 E C -0.825 175.691 176.600 -0.141 0.000 0.997 510 E CA 2.012 58.288 56.400 -0.206 0.000 0.801 510 E CB -0.838 28.726 29.700 -0.226 0.000 0.746 510 E HN 0.479 nan 8.360 nan 0.000 0.450 511 P HA -0.169 nan 4.420 nan 0.000 0.218 511 P C 0.806 178.270 177.300 0.272 0.000 1.148 511 P CA 1.600 64.727 63.100 0.045 0.000 0.822 511 P CB -0.202 31.518 31.700 0.034 0.000 0.784 512 H N -0.864 118.209 119.070 0.006 0.000 2.326 512 H HA -0.065 4.494 4.556 0.004 0.000 0.301 512 H C 2.146 177.395 175.328 -0.132 0.000 1.081 512 H CA 0.467 56.411 56.048 -0.173 0.000 1.334 512 H CB -0.308 29.176 29.762 -0.464 0.000 1.385 512 H HN 0.013 nan 8.280 nan 0.000 0.504 513 L N 0.574 121.780 121.223 -0.029 0.000 2.046 513 L HA -0.188 4.154 4.340 0.003 0.000 0.208 513 L C 2.321 179.173 176.870 -0.030 0.000 1.077 513 L CA 1.803 56.578 54.840 -0.109 0.000 0.747 513 L CB -0.649 41.262 42.059 -0.247 0.000 0.896 513 L HN 0.244 nan 8.230 nan 0.000 0.432 514 H N -0.797 118.232 119.070 -0.068 0.000 2.387 514 H HA -0.117 4.440 4.556 0.003 0.000 0.299 514 H C 1.743 177.087 175.328 0.027 0.000 1.090 514 H CA 2.107 58.132 56.048 -0.038 0.000 1.332 514 H CB -0.056 29.679 29.762 -0.044 0.000 1.386 514 H HN 0.361 nan 8.280 nan 0.000 0.516 515 M N -0.717 119.001 119.600 0.197 0.000 2.568 515 M HA 0.163 4.645 4.480 0.003 0.000 0.226 515 M C 1.170 177.563 176.300 0.155 0.000 1.148 515 M CA 0.735 56.160 55.300 0.208 0.000 1.007 515 M CB 0.987 33.839 32.600 0.421 0.000 1.651 515 M HN 0.576 nan 8.290 nan 0.000 0.488 516 G N 0.805 109.646 108.800 0.069 0.000 2.179 516 G HA2 -0.252 3.710 3.960 0.003 0.000 0.220 516 G HA3 -0.252 3.710 3.960 0.003 0.000 0.220 516 G C 0.276 175.211 174.900 0.059 0.000 0.990 516 G CA -0.331 44.803 45.100 0.055 0.000 0.646 516 G HN 0.473 nan 8.290 nan 0.000 0.517 517 M N 1.682 121.294 119.600 0.020 0.000 3.268 517 M HA 0.485 4.967 4.480 0.003 0.000 0.249 517 M C 0.639 176.810 176.300 -0.215 0.000 1.527 517 M CA 1.255 56.502 55.300 -0.089 0.000 1.645 517 M CB -0.763 31.655 32.600 -0.303 0.000 1.193 517 M HN 0.722 nan 8.290 nan 0.000 0.534 518 G N 1.697 110.459 108.800 -0.064 0.000 2.523 518 G HA2 0.548 4.510 3.960 0.003 0.000 0.291 518 G HA3 0.548 4.510 3.960 0.003 0.000 0.291 518 G C -1.670 173.296 174.900 0.110 0.000 1.450 518 G CA -0.410 44.654 45.100 -0.060 0.000 0.790 518 G HN 0.609 nan 8.290 nan 0.000 0.496 519 V N -2.976 117.023 119.914 0.142 0.000 3.158 519 V HA 0.941 5.063 4.120 0.003 0.000 0.311 519 V C -0.700 175.469 176.094 0.125 0.000 1.181 519 V CA -1.182 61.250 62.300 0.221 0.000 1.054 519 V CB 1.553 33.605 31.823 0.381 0.000 1.085 519 V HN 0.952 nan 8.190 nan 0.000 0.446 520 V N 1.437 121.461 119.914 0.183 0.000 2.588 520 V HA 0.603 4.724 4.120 0.003 0.000 0.304 520 V C -1.186 175.121 176.094 0.356 0.000 1.042 520 V CA -0.193 62.137 62.300 0.050 0.000 0.877 520 V CB 1.506 33.131 31.823 -0.330 0.000 0.996 520 V HN 0.707 nan 8.190 nan 0.000 0.425 521 F N 2.922 122.961 119.950 0.148 0.000 2.458 521 F HA 0.843 5.371 4.527 0.002 0.000 0.336 521 F C 0.425 176.322 175.800 0.161 0.000 1.114 521 F CA -1.486 56.655 58.000 0.236 0.000 0.987 521 F CB 1.821 41.094 39.000 0.455 0.000 1.130 521 F HN 0.566 nan 8.300 nan 0.000 0.458 522 A N 3.924 126.856 122.820 0.188 0.000 2.371 522 A HA 0.769 5.091 4.320 0.003 0.000 0.311 522 A C -0.868 176.833 177.584 0.196 0.000 1.068 522 A CA -0.561 51.552 52.037 0.127 0.000 0.744 522 A CB 1.554 20.543 19.000 -0.017 0.000 1.239 522 A HN 0.758 nan 8.150 nan 0.000 0.435 523 E N 1.079 121.455 120.200 0.293 0.000 2.321 523 E HA 0.502 4.854 4.350 0.003 0.000 0.278 523 E C 0.271 177.014 176.600 0.239 0.000 0.902 523 E CA -0.550 56.037 56.400 0.312 0.000 0.758 523 E CB 1.260 31.251 29.700 0.484 0.000 1.213 523 E HN 2.014 nan 8.360 nan 0.000 0.426 524 G N 2.201 111.106 108.800 0.174 0.000 2.341 524 G HA2 -0.291 3.670 3.960 0.003 0.000 0.292 524 G HA3 -0.291 3.670 3.960 0.003 0.000 0.292 524 G C 0.676 175.640 174.900 0.107 0.000 1.021 524 G CA 0.523 45.703 45.100 0.134 0.000 0.905 524 G HN 0.434 nan 8.290 nan 0.000 0.508 525 V N -0.434 119.531 119.914 0.084 0.000 2.913 525 V HA -0.136 3.986 4.120 0.003 0.000 0.260 525 V C 2.530 178.643 176.094 0.033 0.000 1.098 525 V CA 2.474 64.806 62.300 0.054 0.000 1.121 525 V CB -0.266 31.580 31.823 0.038 0.000 0.714 525 V HN 0.623 nan 8.190 nan 0.000 0.487 526 E N 0.728 120.949 120.200 0.035 0.000 2.209 526 E HA -0.195 4.157 4.350 0.003 0.000 0.196 526 E C 1.806 178.419 176.600 0.021 0.000 0.993 526 E CA 0.966 57.376 56.400 0.017 0.000 0.819 526 E CB -0.310 29.404 29.700 0.023 0.000 0.745 526 E HN 0.561 nan 8.360 nan 0.000 0.477 527 K N 0.368 120.794 120.400 0.044 0.000 2.387 527 K HA 0.177 4.499 4.320 0.003 0.000 0.198 527 K C -0.363 176.274 176.600 0.061 0.000 1.022 527 K CA -0.138 56.180 56.287 0.052 0.000 1.128 527 K CB 0.858 33.398 32.500 0.067 0.000 0.853 527 K HN -0.053 nan 8.250 nan 0.000 0.523 528 V N 1.479 121.426 119.914 0.055 0.000 2.614 528 V HA 0.127 4.249 4.120 0.003 0.000 0.291 528 V C 1.186 177.317 176.094 0.063 0.000 1.049 528 V CA -0.319 62.027 62.300 0.076 0.000 1.038 528 V CB 1.149 33.012 31.823 0.067 0.000 0.980 528 V HN 0.357 nan 8.190 nan 0.000 0.481 529 G N 4.043 112.904 108.800 0.101 0.000 2.514 529 G HA2 0.221 4.183 3.960 0.003 0.000 0.245 529 G HA3 0.221 4.183 3.960 0.003 0.000 0.245 529 G C 0.122 175.060 174.900 0.063 0.000 1.488 529 G CA -0.604 44.543 45.100 0.079 0.000 1.063 529 G HN 0.690 nan 8.290 nan 0.000 0.557 530 R N -0.547 119.973 120.500 0.034 0.000 2.442 530 R HA 0.286 4.628 4.340 0.003 0.000 0.291 530 R C -0.492 175.756 176.300 -0.086 0.000 1.069 530 R CA -0.208 55.887 56.100 -0.009 0.000 1.022 530 R CB 0.062 30.338 30.300 -0.041 0.000 0.976 530 R HN 0.284 nan 8.270 nan 0.000 0.443 531 I N 7.121 127.659 120.570 -0.054 0.000 2.353 531 I HA 0.270 4.442 4.170 0.003 0.000 0.293 531 I C -1.842 174.138 176.117 -0.227 0.000 0.992 531 I CA -2.636 58.583 61.300 -0.134 0.000 1.268 531 I CB 1.738 39.788 38.000 0.082 0.000 1.387 531 I HN 0.516 nan 8.210 nan 0.000 0.478 532 P HA -0.005 nan 4.420 nan 0.000 0.262 532 P C 0.736 177.985 177.300 -0.085 0.000 1.182 532 P CA 0.208 63.119 63.100 -0.315 0.000 0.761 532 P CB 0.424 31.835 31.700 -0.481 0.000 0.795 533 T N 2.403 116.917 114.554 -0.068 0.000 2.721 533 T HA -0.234 4.118 4.350 0.003 0.000 0.268 533 T C 1.510 176.235 174.700 0.042 0.000 1.038 533 T CA 1.546 63.636 62.100 -0.017 0.000 1.145 533 T CB -0.310 68.539 68.868 -0.032 0.000 0.858 533 T HN 0.485 nan 8.240 nan 0.000 0.459 534 K N 0.629 121.096 120.400 0.112 0.000 2.209 534 K HA 0.051 4.373 4.320 0.003 0.000 0.204 534 K C 2.374 179.072 176.600 0.163 0.000 1.048 534 K CA 1.048 57.448 56.287 0.189 0.000 0.940 534 K CB -0.155 32.580 32.500 0.391 0.000 0.729 534 K HN 0.313 nan 8.250 nan 0.000 0.451 535 A N 0.090 123.049 122.820 0.232 0.000 2.167 535 A HA -0.024 4.298 4.320 0.003 0.000 0.214 535 A C 1.554 179.182 177.584 0.074 0.000 1.151 535 A CA 0.855 52.975 52.037 0.139 0.000 0.735 535 A CB 0.068 19.229 19.000 0.269 0.000 0.802 535 A HN 0.077 nan 8.150 nan 0.000 0.467 536 L N -1.641 119.615 121.223 0.055 0.000 2.515 536 L HA 0.311 4.653 4.340 0.003 0.000 0.223 536 L C 1.765 178.629 176.870 -0.009 0.000 1.079 536 L CA 0.791 55.644 54.840 0.021 0.000 0.857 536 L CB -0.802 41.255 42.059 -0.003 0.000 1.050 536 L HN 0.300 nan 8.230 nan 0.000 0.476 537 A N 0.286 123.105 122.820 -0.002 0.000 3.051 537 A HA 0.406 4.728 4.320 0.003 0.000 0.257 537 A C 0.383 177.958 177.584 -0.014 0.000 1.785 537 A CA 0.161 52.191 52.037 -0.012 0.000 1.420 537 A CB -1.486 17.515 19.000 0.001 0.000 1.063 537 A HN 0.516 nan 8.150 nan 0.000 0.630 538 c N -3.275 115.313 118.600 -0.020 0.000 3.275 538 c HA 0.854 5.426 4.570 0.003 0.000 0.340 538 c C 0.933 175.009 174.090 -0.024 0.000 1.366 538 c CA -0.117 56.198 56.329 -0.022 0.000 1.227 538 c CB 0.717 43.211 42.510 -0.025 0.000 1.512 538 c HN 2.432 nan 8.230 nan 0.000 0.461 539 G N 0.976 109.761 108.800 -0.024 0.000 2.564 539 G HA2 0.218 4.180 3.960 0.003 0.000 0.273 539 G HA3 0.218 4.180 3.960 0.003 0.000 0.273 539 G C 0.965 175.855 174.900 -0.016 0.000 1.242 539 G CA 1.022 46.109 45.100 -0.022 0.000 0.951 539 G HN 2.538 nan 8.290 nan 0.000 0.564 540 G N -1.122 107.676 108.800 -0.004 0.000 2.448 540 G HA2 0.149 4.110 3.960 0.003 0.000 0.218 540 G HA3 0.149 4.110 3.960 0.003 0.000 0.218 540 G C 1.944 176.843 174.900 -0.002 0.000 1.135 540 G CA 2.399 47.503 45.100 0.007 0.000 0.784 540 G HN 1.647 nan 8.290 nan 0.000 0.543 541 T N 0.852 115.402 114.554 -0.006 0.000 2.708 541 T HA 0.048 4.399 4.350 0.003 0.000 0.266 541 T C 2.689 177.340 174.700 -0.082 0.000 1.037 541 T CA 1.543 63.618 62.100 -0.042 0.000 1.146 541 T CB -0.547 68.311 68.868 -0.016 0.000 0.865 541 T HN 0.288 nan 8.240 nan 0.000 0.435 542 A N 2.149 124.935 122.820 -0.057 0.000 1.902 542 A HA -0.096 4.225 4.320 0.003 0.000 0.217 542 A C 2.322 179.873 177.584 -0.054 0.000 1.181 542 A CA 2.176 54.179 52.037 -0.057 0.000 0.623 542 A CB -0.761 18.217 19.000 -0.037 0.000 0.818 542 A HN 0.533 nan 8.150 nan 0.000 0.443 543 K N 0.662 121.037 120.400 -0.042 0.000 2.001 543 K HA -0.187 4.135 4.320 0.003 0.000 0.214 543 K C 2.262 178.835 176.600 -0.045 0.000 1.050 543 K CA 2.407 58.671 56.287 -0.038 0.000 0.934 543 K CB -0.322 32.160 32.500 -0.029 0.000 0.718 543 K HN 0.576 nan 8.250 nan 0.000 0.443 544 S N -0.099 115.571 115.700 -0.050 0.000 2.387 544 S HA -0.068 4.404 4.470 0.003 0.000 0.226 544 S C 1.783 176.333 174.600 -0.083 0.000 1.026 544 S CA 0.791 58.959 58.200 -0.053 0.000 0.972 544 S CB -0.268 62.910 63.200 -0.036 0.000 0.814 544 S HN 0.145 nan 8.310 nan 0.000 0.477 545 L N 1.180 122.326 121.223 -0.130 0.000 2.240 545 L HA 0.403 4.745 4.340 0.003 0.000 0.211 545 L C 0.789 177.601 176.870 -0.097 0.000 1.106 545 L CA 0.390 55.137 54.840 -0.155 0.000 0.793 545 L CB -0.929 40.978 42.059 -0.253 0.000 0.927 545 L HN 0.344 nan 8.230 nan 0.000 0.446 546 I N 0.771 121.297 120.570 -0.073 0.000 2.379 546 I HA -0.028 4.144 4.170 0.003 0.000 0.290 546 I C 0.381 176.474 176.117 -0.041 0.000 1.063 546 I CA -0.127 61.142 61.300 -0.050 0.000 1.351 546 I CB 0.245 38.221 38.000 -0.040 0.000 1.410 546 I HN 0.111 nan 8.210 nan 0.000 0.505 547 N N 5.634 124.313 118.700 -0.035 0.000 2.406 547 N HA 0.117 4.859 4.740 0.003 0.000 0.251 547 N C -0.496 175.001 175.510 -0.022 0.000 1.069 547 N CA -0.035 52.999 53.050 -0.026 0.000 0.947 547 N CB 0.311 38.785 38.487 -0.023 0.000 1.111 547 N HN 0.466 nan 8.380 nan 0.000 0.497 548 N N 4.136 122.823 118.700 -0.020 0.000 2.722 548 N HA 0.296 5.037 4.740 0.003 0.000 0.242 548 N C -2.732 172.769 175.510 -0.015 0.000 1.398 548 N CA -1.255 51.784 53.050 -0.017 0.000 0.755 548 N CB 0.684 39.160 38.487 -0.018 0.000 1.268 548 N HN 0.424 nan 8.380 nan 0.000 0.522 549 P HA 0.308 nan 4.420 nan 0.000 0.275 549 P C -1.137 176.156 177.300 -0.011 0.000 1.266 549 P CA -0.122 62.971 63.100 -0.012 0.000 0.793 549 P CB 0.830 32.523 31.700 -0.010 0.000 1.074 550 K N 0.535 120.928 120.400 -0.010 0.000 2.637 550 K HA 0.281 4.603 4.320 0.003 0.000 0.248 550 K C -0.410 176.185 176.600 -0.008 0.000 0.971 550 K CA -0.806 55.476 56.287 -0.009 0.000 0.858 550 K CB 0.880 33.374 32.500 -0.010 0.000 1.170 550 K HN 0.452 nan 8.250 nan 0.000 0.443 551 N N 0.651 119.347 118.700 -0.007 0.000 2.878 551 N HA -0.115 4.627 4.740 0.003 0.000 0.247 551 N C -1.979 173.528 175.510 -0.005 0.000 1.021 551 N CA 0.978 54.025 53.050 -0.006 0.000 0.873 551 N CB -1.518 36.965 38.487 -0.006 0.000 1.128 551 N HN 0.846 nan 8.380 nan 0.000 0.571 552 P HA 0.000 nan 4.420 nan 0.000 0.216 552 P CA 0.000 63.097 63.100 -0.005 0.000 0.800 552 P CB 0.000 31.697 31.700 -0.006 0.000 0.726