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 1jda_1_A DATA FIRST_RESID 1 DATA SEQUENCE DQAGKSPNAV RYHGGDEIIL QGFHWNVVRE APNDWYNILR QQAATIAADG DATA SEQUENCE FSAIWMPVPW RDFSSWSDGS KSGGGEGYFW HDFNKNGRYG SDAQLRQAAS DATA SEQUENCE ALGGAGVKVL YDVVPNHMNR GYPDKEINLP AGQGFWRNDc ADPGNYPNDc DATA SEQUENCE DDGDRFIGGD ADLNTGHPQV YGMFRDEFTN LRSQYGAGGF RFDFVRGYAP DATA SEQUENCE ERVNSWMTDS ADNSFcVGQL WKGPSEYPNW DWRNTASWQQ IIKDWSDRAK DATA SEQUENCE cPVFDFALKE RMQNGSIADW KHGLNGNPDP RWREVAVTFV DNHDTGYSPG DATA SEQUENCE QNGGQHHWAL QDGLIRQAYA YILTSPGTPV VYWDHMYDWG YGDFIRQLIQ DATA SEQUENCE VRRAAGVRAD SAISFHSGYS GLVATVSGSQ QTLVVALNSD LGNPGQVASG DATA SEQUENCE SFSEAVNASN GQVRVWRS 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 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.304 176.300 0.007 0.000 2.045 1 D CA 0.000 54.016 54.000 0.027 0.000 0.868 1 D CB 0.000 40.833 40.800 0.056 0.000 0.688 2 Q N 1.152 120.935 119.800 -0.028 0.000 2.296 2 Q HA 0.569 4.909 4.340 -0.000 0.000 0.262 2 Q C -0.899 175.006 176.000 -0.158 0.000 0.981 2 Q CA -0.222 55.543 55.803 -0.062 0.000 0.905 2 Q CB 0.970 29.677 28.738 -0.053 0.000 1.186 2 Q HN 0.361 nan 8.270 nan 0.000 0.399 3 A N 3.879 126.565 122.820 -0.224 0.000 2.431 3 A HA 0.731 5.051 4.320 -0.000 0.000 0.318 3 A C -0.377 177.031 177.584 -0.293 0.000 1.330 3 A CA 0.031 51.710 52.037 -0.596 0.000 0.804 3 A CB 0.786 19.357 19.000 -0.716 0.000 1.135 3 A HN 0.793 nan 8.150 nan 0.000 0.483 4 G N 0.790 109.504 108.800 -0.143 0.000 2.695 4 G HA2 0.567 4.527 3.960 -0.000 0.000 0.290 4 G HA3 0.567 4.527 3.960 -0.000 0.000 0.290 4 G C -1.029 173.979 174.900 0.180 0.000 1.410 4 G CA -0.743 44.373 45.100 0.026 0.000 0.844 4 G HN 0.535 nan 8.290 nan 0.000 0.478 5 K N 0.139 120.613 120.400 0.123 0.000 2.118 5 K HA 0.534 4.854 4.320 -0.000 0.000 0.264 5 K C 0.964 177.499 176.600 -0.109 0.000 1.000 5 K CA -0.303 56.005 56.287 0.034 0.000 0.929 5 K CB 1.334 33.825 32.500 -0.015 0.000 1.021 5 K HN 0.663 nan 8.250 nan 0.000 0.463 6 S N 1.687 117.070 115.700 -0.528 0.000 2.600 6 S HA 0.157 4.627 4.470 -0.000 0.000 0.265 6 S C -1.754 172.706 174.600 -0.232 0.000 1.325 6 S CA -0.997 56.826 58.200 -0.628 0.000 1.002 6 S CB 0.718 63.337 63.200 -0.967 0.000 0.921 6 S HN 0.372 nan 8.310 nan 0.000 0.554 7 P HA -0.061 nan 4.420 nan 0.000 0.218 7 P C 0.516 177.773 177.300 -0.071 0.000 1.146 7 P CA 1.358 64.422 63.100 -0.060 0.000 0.813 7 P CB -0.209 31.482 31.700 -0.015 0.000 0.778 8 N N -1.303 117.333 118.700 -0.107 0.000 2.314 8 N HA 0.256 4.996 4.740 -0.000 0.000 0.200 8 N C 0.137 175.579 175.510 -0.114 0.000 1.135 8 N CA 0.389 53.382 53.050 -0.096 0.000 0.835 8 N CB 0.043 38.470 38.487 -0.100 0.000 0.989 8 N HN -0.098 nan 8.380 nan 0.000 0.478 9 A N -0.142 122.602 122.820 -0.127 0.000 2.996 9 A HA -0.154 4.166 4.320 -0.000 0.000 0.257 9 A C 0.036 177.537 177.584 -0.138 0.000 1.394 9 A CA 0.269 52.239 52.037 -0.112 0.000 0.820 9 A CB -2.211 16.744 19.000 -0.075 0.000 1.054 9 A HN 0.095 nan 8.150 nan 0.000 0.619 10 V N 0.606 120.395 119.914 -0.209 0.000 2.509 10 V HA 0.283 4.403 4.120 -0.000 0.000 0.284 10 V C 1.360 177.359 176.094 -0.159 0.000 1.047 10 V CA -0.391 61.795 62.300 -0.190 0.000 0.952 10 V CB 1.376 33.081 31.823 -0.198 0.000 0.988 10 V HN 0.479 nan 8.190 nan 0.000 0.469 11 R N 4.218 124.675 120.500 -0.072 0.000 4.113 11 R HA 0.039 4.379 4.340 -0.000 0.000 0.179 11 R C 0.250 176.615 176.300 0.109 0.000 1.781 11 R CA -0.069 56.043 56.100 0.020 0.000 1.402 11 R CB -0.355 29.952 30.300 0.012 0.000 1.375 11 R HN 0.890 nan 8.270 nan 0.000 0.786 12 Y N -1.069 119.289 120.300 0.096 0.000 2.466 12 Y HA 0.076 4.626 4.550 -0.000 0.000 0.272 12 Y C 0.418 176.580 175.900 0.436 0.000 1.169 12 Y CA -1.118 57.137 58.100 0.258 0.000 1.285 12 Y CB -0.855 37.726 38.460 0.202 0.000 1.078 12 Y HN 0.423 nan 8.280 nan 0.000 0.523 13 H N 1.017 120.415 119.070 0.547 0.000 2.672 13 H HA -0.165 4.391 4.556 -0.000 0.000 0.325 13 H C 1.460 176.862 175.328 0.123 0.000 1.158 13 H CA 1.041 57.285 56.048 0.326 0.000 1.134 13 H CB -0.989 28.977 29.762 0.341 0.000 1.553 13 H HN 0.852 nan 8.280 nan 0.000 0.419 14 G N -0.205 108.578 108.800 -0.028 0.000 2.320 14 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.242 14 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.242 14 G C 1.410 175.980 174.900 -0.550 0.000 1.033 14 G CA 1.024 46.002 45.100 -0.203 0.000 0.620 14 G HN 1.787 nan 8.290 nan 0.000 0.517 15 G N 0.249 108.564 108.800 -0.809 0.000 2.147 15 G HA2 0.009 3.969 3.960 -0.000 0.000 0.244 15 G HA3 0.009 3.969 3.960 -0.000 0.000 0.244 15 G C 0.274 174.980 174.900 -0.324 0.000 1.005 15 G CA 1.250 45.832 45.100 -0.863 0.000 0.713 15 G HN 2.029 nan 8.290 nan 0.000 0.515 16 D N -0.503 119.780 120.400 -0.195 0.000 2.720 16 D HA 0.250 4.890 4.640 -0.000 0.000 0.285 16 D C 0.233 176.489 176.300 -0.072 0.000 1.359 16 D CA -0.411 53.525 54.000 -0.107 0.000 0.818 16 D CB 0.255 41.003 40.800 -0.087 0.000 1.108 16 D HN 0.312 nan 8.370 nan 0.000 0.474 17 E N 0.494 120.640 120.200 -0.089 0.000 2.318 17 E HA 0.452 4.802 4.350 -0.000 0.000 0.265 17 E C 0.167 176.729 176.600 -0.064 0.000 1.069 17 E CA -0.505 55.828 56.400 -0.112 0.000 0.893 17 E CB 2.129 31.654 29.700 -0.291 0.000 1.076 17 E HN 0.280 nan 8.360 nan 0.000 0.414 18 I N 2.938 123.499 120.570 -0.014 0.000 2.503 18 I HA 0.196 4.366 4.170 -0.000 0.000 0.282 18 I C -0.825 175.421 176.117 0.216 0.000 1.059 18 I CA -0.730 60.623 61.300 0.088 0.000 1.081 18 I CB 0.928 38.952 38.000 0.040 0.000 1.210 18 I HN 0.182 nan 8.210 nan 0.000 0.450 19 I N 6.391 127.076 120.570 0.191 0.000 2.440 19 I HA 0.329 4.499 4.170 -0.000 0.000 0.294 19 I C -0.288 175.923 176.117 0.157 0.000 0.995 19 I CA -0.581 60.816 61.300 0.162 0.000 1.306 19 I CB 1.379 39.453 38.000 0.123 0.000 1.407 19 I HN 0.352 nan 8.210 nan 0.000 0.501 20 L N 5.483 126.657 121.223 -0.082 0.000 2.313 20 L HA 0.457 4.797 4.340 -0.000 0.000 0.283 20 L C -0.097 176.740 176.870 -0.055 0.000 1.013 20 L CA -0.290 54.305 54.840 -0.408 0.000 0.816 20 L CB 1.265 42.699 42.059 -1.041 0.000 1.236 20 L HN 0.690 nan 8.230 nan 0.000 0.419 21 Q N 3.557 123.346 119.800 -0.020 0.000 2.300 21 Q HA 0.263 4.603 4.340 -0.000 0.000 0.262 21 Q C 0.713 176.602 176.000 -0.184 0.000 1.109 21 Q CA 0.285 55.931 55.803 -0.261 0.000 0.905 21 Q CB 0.812 29.231 28.738 -0.531 0.000 1.280 21 Q HN 0.976 nan 8.270 nan 0.000 0.426 22 G N 5.169 113.911 108.800 -0.098 0.000 3.352 22 G HA2 0.273 4.233 3.960 -0.000 0.000 0.236 22 G HA3 0.273 4.233 3.960 -0.000 0.000 0.236 22 G C -0.580 174.314 174.900 -0.010 0.000 1.324 22 G CA 0.077 45.223 45.100 0.078 0.000 1.404 22 G HN 0.666 nan 8.290 nan 0.000 0.542 23 F N -2.351 117.353 119.950 -0.409 0.000 2.952 23 F HA 0.487 5.014 4.527 -0.000 0.000 0.329 23 F C -0.915 174.587 175.800 -0.497 0.000 1.137 23 F CA -1.767 55.787 58.000 -0.744 0.000 0.889 23 F CB 0.581 39.126 39.000 -0.758 0.000 1.335 23 F HN 0.218 nan 8.300 nan 0.000 0.449 24 H N -0.649 118.211 119.070 -0.350 0.000 2.864 24 H HA 0.220 4.776 4.556 -0.000 0.000 0.354 24 H C -0.314 175.186 175.328 0.286 0.000 1.208 24 H CA -0.786 55.232 56.048 -0.050 0.000 1.191 24 H CB 1.670 31.379 29.762 -0.088 0.000 1.889 24 H HN 0.981 nan 8.280 nan 0.000 0.574 25 W N 1.632 123.213 121.300 0.468 0.000 2.374 25 W HA -0.068 4.592 4.660 -0.000 0.000 0.288 25 W C -0.264 176.433 176.519 0.296 0.000 1.218 25 W CA 1.289 58.876 57.345 0.404 0.000 1.245 25 W CB 0.083 29.762 29.460 0.365 0.000 1.126 25 W HN 0.662 nan 8.180 nan 0.000 0.545 26 N N 0.105 119.093 118.700 0.479 0.000 2.295 26 N HA -0.022 4.718 4.740 -0.000 0.000 0.221 26 N C 1.267 176.780 175.510 0.004 0.000 1.129 26 N CA -0.418 52.746 53.050 0.191 0.000 0.836 26 N CB 0.561 39.228 38.487 0.300 0.000 1.040 26 N HN -0.166 nan 8.380 nan 0.000 0.494 27 V N 0.537 120.236 119.914 -0.359 0.000 2.343 27 V HA -0.207 3.913 4.120 -0.000 0.000 0.247 27 V C 2.321 178.188 176.094 -0.378 0.000 1.051 27 V CA 1.631 63.555 62.300 -0.627 0.000 1.036 27 V CB -0.336 30.741 31.823 -1.244 0.000 0.654 27 V HN 0.379 nan 8.190 nan 0.000 0.451 28 V N -1.482 118.170 119.914 -0.437 0.000 2.828 28 V HA -0.215 3.905 4.120 -0.000 0.000 0.260 28 V C 2.226 178.169 176.094 -0.252 0.000 1.101 28 V CA 2.019 64.050 62.300 -0.448 0.000 1.123 28 V CB -0.895 30.573 31.823 -0.592 0.000 0.704 28 V HN 0.436 nan 8.190 nan 0.000 0.493 29 R N -0.821 119.569 120.500 -0.183 0.000 2.123 29 R HA 0.135 4.475 4.340 -0.000 0.000 0.209 29 R C 2.467 178.748 176.300 -0.032 0.000 1.078 29 R CA 0.710 56.752 56.100 -0.096 0.000 1.028 29 R CB -0.037 30.220 30.300 -0.071 0.000 0.939 29 R HN 0.456 nan 8.270 nan 0.000 0.463 30 E N 0.436 120.635 120.200 -0.002 0.000 2.051 30 E HA 0.012 4.362 4.350 -0.000 0.000 0.189 30 E C 0.230 176.866 176.600 0.060 0.000 0.979 30 E CA 0.922 57.360 56.400 0.062 0.000 0.803 30 E CB 0.228 30.019 29.700 0.151 0.000 0.761 30 E HN 0.170 nan 8.360 nan 0.000 0.451 31 A N 2.593 125.439 122.820 0.044 0.000 3.165 31 A HA 0.319 4.639 4.320 -0.000 0.000 0.331 31 A C -2.461 175.145 177.584 0.038 0.000 1.034 31 A CA -1.460 50.639 52.037 0.103 0.000 0.906 31 A CB 0.067 19.238 19.000 0.286 0.000 1.054 31 A HN -0.106 nan 8.150 nan 0.000 0.484 32 P HA -0.056 nan 4.420 nan 0.000 0.258 32 P C 0.135 177.411 177.300 -0.040 0.000 1.172 32 P CA 0.705 63.765 63.100 -0.066 0.000 0.762 32 P CB 0.229 31.894 31.700 -0.058 0.000 0.764 33 N N 0.964 119.622 118.700 -0.070 0.000 2.765 33 N HA -0.236 4.504 4.740 -0.000 0.000 0.248 33 N C 0.351 175.859 175.510 -0.004 0.000 1.063 33 N CA 1.554 54.580 53.050 -0.041 0.000 0.862 33 N CB -1.342 37.131 38.487 -0.022 0.000 1.145 33 N HN 0.542 nan 8.380 nan 0.000 0.581 34 D N -1.166 119.253 120.400 0.031 0.000 2.469 34 D HA 0.095 4.735 4.640 -0.000 0.000 0.215 34 D C 1.294 177.623 176.300 0.049 0.000 1.154 34 D CA -0.360 53.664 54.000 0.039 0.000 0.832 34 D CB -0.029 40.796 40.800 0.040 0.000 1.008 34 D HN 0.343 nan 8.370 nan 0.000 0.506 35 W N 0.248 121.453 121.300 -0.159 0.000 2.338 35 W HA -0.271 4.389 4.660 -0.000 0.000 0.304 35 W C 0.565 177.007 176.519 -0.128 0.000 1.212 35 W CA 1.057 58.286 57.345 -0.194 0.000 1.264 35 W CB -0.089 29.250 29.460 -0.202 0.000 1.142 35 W HN 0.092 nan 8.180 nan 0.000 0.512 36 Y N 0.693 120.964 120.300 -0.048 0.000 2.373 36 Y HA -0.162 4.388 4.550 -0.000 0.000 0.293 36 Y C 2.334 178.119 175.900 -0.192 0.000 1.129 36 Y CA 1.044 59.056 58.100 -0.147 0.000 1.226 36 Y CB -1.370 37.073 38.460 -0.029 0.000 1.000 36 Y HN 0.015 nan 8.280 nan 0.000 0.549 37 N N 0.166 118.858 118.700 -0.013 0.000 2.216 37 N HA -0.103 4.637 4.740 -0.000 0.000 0.183 37 N C 1.955 177.374 175.510 -0.152 0.000 1.017 37 N CA 1.118 54.135 53.050 -0.056 0.000 0.861 37 N CB -0.302 38.172 38.487 -0.020 0.000 0.986 37 N HN 0.345 nan 8.380 nan 0.000 0.428 38 I N 1.389 121.796 120.570 -0.272 0.000 2.179 38 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 38 I C 2.140 178.003 176.117 -0.423 0.000 1.088 38 I CA 1.007 62.075 61.300 -0.386 0.000 1.357 38 I CB -0.245 37.355 38.000 -0.665 0.000 1.051 38 I HN 0.048 nan 8.210 nan 0.000 0.409 39 L N 0.017 120.914 121.223 -0.543 0.000 2.131 39 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 39 L C 2.754 179.505 176.870 -0.197 0.000 1.092 39 L CA 1.056 55.667 54.840 -0.380 0.000 0.759 39 L CB -0.594 41.248 42.059 -0.362 0.000 0.903 39 L HN 0.255 nan 8.230 nan 0.000 0.435 40 R N 0.265 120.672 120.500 -0.155 0.000 2.092 40 R HA -0.156 4.184 4.340 -0.000 0.000 0.231 40 R C 2.179 178.425 176.300 -0.089 0.000 1.119 40 R CA 1.321 57.364 56.100 -0.096 0.000 0.970 40 R CB -0.012 30.248 30.300 -0.066 0.000 0.864 40 R HN 0.458 nan 8.270 nan 0.000 0.440 41 Q N -0.523 119.213 119.800 -0.107 0.000 2.224 41 Q HA -0.117 4.223 4.340 -0.000 0.000 0.203 41 Q C 1.645 177.587 176.000 -0.098 0.000 0.970 41 Q CA 1.018 56.766 55.803 -0.091 0.000 0.865 41 Q CB 0.285 28.970 28.738 -0.089 0.000 0.922 41 Q HN 0.278 nan 8.270 nan 0.000 0.445 42 Q N -0.836 118.889 119.800 -0.124 0.000 2.384 42 Q HA 0.181 4.521 4.340 -0.000 0.000 0.207 42 Q C 1.860 177.812 176.000 -0.079 0.000 0.904 42 Q CA 0.691 56.419 55.803 -0.125 0.000 0.933 42 Q CB 0.082 28.712 28.738 -0.181 0.000 1.077 42 Q HN 0.305 nan 8.270 nan 0.000 0.522 43 A N 1.838 124.620 122.820 -0.063 0.000 1.940 43 A HA -0.257 4.063 4.320 -0.000 0.000 0.221 43 A C 2.321 179.901 177.584 -0.006 0.000 1.190 43 A CA 2.304 54.323 52.037 -0.030 0.000 0.647 43 A CB -0.694 18.283 19.000 -0.038 0.000 0.821 43 A HN 0.383 nan 8.150 nan 0.000 0.457 44 A N -1.613 121.197 122.820 -0.017 0.000 1.902 44 A HA -0.064 4.256 4.320 -0.000 0.000 0.217 44 A C 2.332 179.922 177.584 0.009 0.000 1.181 44 A CA 2.317 54.351 52.037 -0.006 0.000 0.623 44 A CB -1.222 17.768 19.000 -0.016 0.000 0.818 44 A HN 0.456 nan 8.150 nan 0.000 0.443 45 T N 0.517 115.072 114.554 0.001 0.000 2.643 45 T HA -0.108 4.242 4.350 -0.000 0.000 0.264 45 T C 1.821 176.586 174.700 0.108 0.000 1.045 45 T CA 1.573 63.689 62.100 0.026 0.000 1.155 45 T CB -0.491 68.360 68.868 -0.030 0.000 0.863 45 T HN 0.426 nan 8.240 nan 0.000 0.420 46 I N 1.567 122.209 120.570 0.119 0.000 2.145 46 I HA -0.282 3.888 4.170 -0.000 0.000 0.244 46 I C 2.921 179.201 176.117 0.272 0.000 1.075 46 I CA 1.486 62.955 61.300 0.281 0.000 1.332 46 I CB -0.599 37.516 38.000 0.191 0.000 1.033 46 I HN 0.212 nan 8.210 nan 0.000 0.410 47 A N 0.671 123.573 122.820 0.137 0.000 1.877 47 A HA -0.116 4.203 4.320 -0.000 0.000 0.216 47 A C 2.555 180.164 177.584 0.041 0.000 1.186 47 A CA 1.849 53.936 52.037 0.083 0.000 0.620 47 A CB -0.871 18.154 19.000 0.042 0.000 0.822 47 A HN 0.449 nan 8.150 nan 0.000 0.443 48 A N -0.109 122.732 122.820 0.034 0.000 1.972 48 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 48 A C 1.626 179.194 177.584 -0.026 0.000 1.169 48 A CA 1.798 53.836 52.037 0.002 0.000 0.635 48 A CB -0.559 18.444 19.000 0.005 0.000 0.810 48 A HN 0.430 nan 8.150 nan 0.000 0.446 49 D N -1.321 119.073 120.400 -0.009 0.000 2.310 49 D HA 0.142 4.782 4.640 -0.000 0.000 0.212 49 D C 1.504 177.594 176.300 -0.349 0.000 0.965 49 D CA 1.461 55.395 54.000 -0.110 0.000 0.879 49 D CB -0.037 40.791 40.800 0.047 0.000 0.921 49 D HN 0.650 nan 8.370 nan 0.000 0.510 50 G N -0.777 107.871 108.800 -0.254 0.000 2.211 50 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.201 50 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.201 50 G C 0.183 174.868 174.900 -0.358 0.000 0.997 50 G CA -0.439 44.463 45.100 -0.331 0.000 0.652 50 G HN 0.187 nan 8.290 nan 0.000 0.500 51 F N 1.916 121.864 119.950 -0.003 0.000 2.506 51 F HA 0.454 4.981 4.527 -0.000 0.000 0.351 51 F C 1.820 177.611 175.800 -0.015 0.000 1.136 51 F CA 0.560 58.560 58.000 -0.000 0.000 1.298 51 F CB 1.418 40.439 39.000 0.035 0.000 1.145 51 F HN 0.165 nan 8.300 nan 0.000 0.593 52 S N 0.395 116.187 115.700 0.154 0.000 2.497 52 S HA 0.649 5.119 4.470 -0.000 0.000 0.218 52 S C 0.338 174.946 174.600 0.013 0.000 1.023 52 S CA 0.304 58.533 58.200 0.048 0.000 0.913 52 S CB 0.062 63.262 63.200 -0.001 0.000 0.800 52 S HN 0.781 nan 8.310 nan 0.000 0.505 53 A N 0.440 123.278 122.820 0.030 0.000 2.594 53 A HA 0.824 5.144 4.320 -0.000 0.000 0.291 53 A C -1.569 176.023 177.584 0.013 0.000 1.105 53 A CA -0.774 51.238 52.037 -0.042 0.000 0.694 53 A CB 1.240 20.145 19.000 -0.159 0.000 1.291 53 A HN 0.532 nan 8.150 nan 0.000 0.410 54 I N 0.195 120.760 120.570 -0.009 0.000 2.619 54 I HA 0.538 4.708 4.170 -0.000 0.000 0.292 54 I C -1.819 174.354 176.117 0.094 0.000 1.100 54 I CA -0.583 60.730 61.300 0.022 0.000 1.043 54 I CB 1.563 39.558 38.000 -0.008 0.000 1.239 54 I HN 0.868 nan 8.210 nan 0.000 0.420 55 W N 9.800 131.095 121.300 -0.008 0.000 2.311 55 W HA 0.458 5.118 4.660 -0.000 0.000 0.317 55 W C -1.342 175.243 176.519 0.111 0.000 1.065 55 W CA -1.423 55.950 57.345 0.047 0.000 1.364 55 W CB 0.657 30.208 29.460 0.152 0.000 1.233 55 W HN 0.269 nan 8.180 nan 0.000 0.409 56 M N 8.931 128.669 119.600 0.230 0.000 2.241 56 M HA 0.219 4.699 4.480 -0.000 0.000 0.335 56 M C -1.573 174.745 176.300 0.029 0.000 1.122 56 M CA -2.126 53.192 55.300 0.030 0.000 1.164 56 M CB 0.144 32.576 32.600 -0.280 0.000 1.459 56 M HN 0.295 nan 8.290 nan 0.000 0.461 57 P HA 0.091 nan 4.420 nan 0.000 0.271 57 P C -0.477 176.456 177.300 -0.612 0.000 1.244 57 P CA -0.380 61.954 63.100 -1.277 0.000 0.793 57 P CB 0.296 30.739 31.700 -2.095 0.000 0.984 58 V N 2.877 122.434 119.914 -0.595 0.000 2.599 58 V HA -0.007 4.113 4.120 -0.000 0.000 0.300 58 V C -0.660 175.198 176.094 -0.394 0.000 1.034 58 V CA -0.310 61.678 62.300 -0.520 0.000 1.115 58 V CB -0.004 31.480 31.823 -0.565 0.000 0.934 58 V HN 0.642 nan 8.190 nan 0.000 0.485 59 P HA -0.012 nan 4.420 nan 0.000 0.230 59 P C 0.054 177.250 177.300 -0.173 0.000 1.168 59 P CA 0.356 63.266 63.100 -0.317 0.000 0.793 59 P CB 0.262 31.655 31.700 -0.511 0.000 0.851 60 W N 4.014 125.161 121.300 -0.255 0.000 2.368 60 W HA 0.180 4.840 4.660 -0.000 0.000 0.316 60 W C 1.232 177.630 176.519 -0.202 0.000 1.375 60 W CA -1.081 56.114 57.345 -0.251 0.000 1.261 60 W CB -0.758 28.461 29.460 -0.401 0.000 1.298 60 W HN 0.055 nan 8.180 nan 0.000 0.539 61 R N 2.950 123.395 120.500 -0.093 0.000 2.537 61 R HA -0.030 4.310 4.340 -0.000 0.000 0.281 61 R C -0.627 175.321 176.300 -0.587 0.000 0.988 61 R CA 0.432 56.282 56.100 -0.418 0.000 1.077 61 R CB 0.477 30.419 30.300 -0.597 0.000 0.932 61 R HN 0.361 nan 8.270 nan 0.000 0.409 62 D N 4.301 124.409 120.400 -0.487 0.000 2.620 62 D HA 0.213 4.853 4.640 -0.000 0.000 0.252 62 D C -1.249 174.972 176.300 -0.133 0.000 1.207 62 D CA -0.742 53.105 54.000 -0.254 0.000 0.884 62 D CB 0.701 41.489 40.800 -0.020 0.000 1.262 62 D HN 0.520 nan 8.370 nan 0.000 0.552 63 F N 1.433 121.375 119.950 -0.014 0.000 2.850 63 F HA 0.198 4.725 4.527 -0.000 0.000 0.329 63 F C 1.128 176.951 175.800 0.038 0.000 1.182 63 F CA -0.837 57.146 58.000 -0.028 0.000 1.270 63 F CB -0.298 38.687 39.000 -0.025 0.000 0.979 63 F HN 0.094 nan 8.300 nan 0.000 0.506 64 S N -0.572 115.277 115.700 0.248 0.000 2.600 64 S HA 0.724 5.194 4.470 -0.000 0.000 0.265 64 S C 0.238 174.992 174.600 0.257 0.000 1.325 64 S CA -0.350 58.050 58.200 0.334 0.000 1.002 64 S CB 1.710 65.210 63.200 0.500 0.000 0.921 64 S HN 0.103 nan 8.310 nan 0.000 0.554 65 S N 1.069 116.925 115.700 0.260 0.000 2.547 65 S HA 0.731 5.201 4.470 -0.000 0.000 0.270 65 S C -1.653 173.086 174.600 0.232 0.000 1.150 65 S CA -0.877 57.384 58.200 0.102 0.000 0.850 65 S CB 1.377 64.609 63.200 0.053 0.000 1.118 65 S HN 0.983 nan 8.310 nan 0.000 0.461 66 W N 0.792 122.150 121.300 0.098 0.000 3.827 66 W HA 0.633 5.293 4.660 -0.000 0.000 0.307 66 W C -1.099 175.459 176.519 0.066 0.000 1.204 66 W CA -0.812 56.579 57.345 0.076 0.000 1.250 66 W CB 0.193 29.693 29.460 0.068 0.000 1.281 66 W HN 0.828 nan 8.180 nan 0.000 0.494 67 S N 1.217 117.105 115.700 0.313 0.000 2.705 67 S HA 0.676 5.146 4.470 -0.000 0.000 0.280 67 S C -0.354 174.366 174.600 0.200 0.000 1.174 67 S CA 0.232 58.563 58.200 0.217 0.000 0.823 67 S CB 3.167 66.412 63.200 0.074 0.000 1.162 67 S HN 0.767 nan 8.310 nan 0.000 0.487 68 D N -1.075 119.413 120.400 0.147 0.000 1.412 68 D HA 0.097 4.737 4.640 -0.000 0.000 0.786 68 D C 0.313 176.661 176.300 0.079 0.000 0.571 68 D CA 0.481 54.542 54.000 0.103 0.000 1.290 68 D CB -0.099 40.762 40.800 0.102 0.000 1.180 68 D HN 1.336 nan 8.370 nan 0.000 0.439 69 G N 0.793 109.650 108.800 0.094 0.000 1.980 69 G HA2 0.392 4.352 3.960 -0.000 0.000 0.298 69 G HA3 0.392 4.352 3.960 -0.000 0.000 0.298 69 G C -0.581 174.373 174.900 0.089 0.000 1.505 69 G CA 0.042 45.188 45.100 0.076 0.000 1.158 69 G HN 0.265 nan 8.290 nan 0.000 0.557 70 S N 0.778 116.521 115.700 0.071 0.000 4.452 70 S HA -0.087 4.383 4.470 -0.000 0.000 0.224 70 S C 0.278 174.934 174.600 0.093 0.000 0.446 70 S CA 1.716 59.956 58.200 0.067 0.000 1.280 70 S CB -0.325 62.908 63.200 0.055 0.000 2.127 70 S HN 1.331 nan 8.310 nan 0.000 0.316 71 K N 0.753 121.208 120.400 0.092 0.000 1.912 71 K HA 0.115 4.435 4.320 -0.000 0.000 0.831 71 K C -0.465 176.191 176.600 0.093 0.000 1.185 71 K CA 0.771 57.137 56.287 0.132 0.000 1.025 71 K CB -0.531 32.090 32.500 0.202 0.000 2.612 71 K HN 0.614 nan 8.250 nan 0.000 0.314 72 S N 1.307 116.919 115.700 -0.147 0.000 2.823 72 S HA 1.010 5.480 4.470 -0.000 0.000 0.316 72 S C 0.199 174.084 174.600 -1.192 0.000 1.116 72 S CA -0.178 57.621 58.200 -0.667 0.000 0.911 72 S CB 2.125 65.083 63.200 -0.403 0.000 1.276 72 S HN 1.190 nan 8.310 nan 0.000 0.565 73 G N -1.945 105.825 108.800 -1.717 0.000 2.430 73 G HA2 0.699 4.659 3.960 -0.000 0.000 0.300 73 G HA3 0.699 4.659 3.960 -0.000 0.000 0.300 73 G C -0.247 174.160 174.900 -0.821 0.000 1.330 73 G CA 0.077 44.535 45.100 -1.071 0.000 0.813 73 G HN 2.215 nan 8.290 nan 0.000 0.487 74 G N -2.515 106.168 108.800 -0.196 0.000 2.428 74 G HA2 0.574 4.534 3.960 -0.000 0.000 0.681 74 G HA3 0.574 4.534 3.960 -0.000 0.000 0.681 74 G C 0.989 175.843 174.900 -0.076 0.000 1.340 74 G CA 1.172 46.280 45.100 0.013 0.000 0.915 74 G HN 2.745 nan 8.290 nan 0.000 0.645 75 G N -0.479 108.330 108.800 0.016 0.000 2.159 75 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.256 75 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.256 75 G C 0.793 175.556 174.900 -0.230 0.000 0.977 75 G CA 1.309 46.371 45.100 -0.064 0.000 0.652 75 G HN 1.332 nan 8.290 nan 0.000 0.531 76 E N -0.583 119.485 120.200 -0.220 0.000 2.358 76 E HA 0.382 4.732 4.350 -0.000 0.000 0.195 76 E C 2.127 178.658 176.600 -0.115 0.000 1.010 76 E CA 1.443 57.685 56.400 -0.264 0.000 0.856 76 E CB -0.064 29.389 29.700 -0.412 0.000 0.795 76 E HN 1.520 nan 8.360 nan 0.000 0.504 77 G N -0.554 108.199 108.800 -0.078 0.000 2.231 77 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.206 77 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.206 77 G C 0.560 175.418 174.900 -0.069 0.000 0.996 77 G CA -0.027 44.990 45.100 -0.138 0.000 0.645 77 G HN 0.272 nan 8.290 nan 0.000 0.498 78 Y N -0.815 119.727 120.300 0.404 0.000 2.490 78 Y HA 0.577 5.127 4.550 -0.000 0.000 0.281 78 Y C 1.121 177.366 175.900 0.574 0.000 1.174 78 Y CA 0.074 58.462 58.100 0.480 0.000 1.295 78 Y CB 0.311 39.059 38.460 0.479 0.000 1.062 78 Y HN 0.209 nan 8.280 nan 0.000 0.522 79 F N 1.207 121.370 119.950 0.356 0.000 2.576 79 F HA 0.237 4.764 4.527 -0.000 0.000 0.365 79 F C -0.201 175.653 175.800 0.090 0.000 1.506 79 F CA -2.026 56.100 58.000 0.209 0.000 1.113 79 F CB -0.025 39.145 39.000 0.283 0.000 1.293 79 F HN 0.013 nan 8.300 nan 0.000 0.540 80 W N 0.990 122.330 121.300 0.066 0.000 2.112 80 W HA 0.225 4.885 4.660 -0.000 0.000 0.349 80 W C 0.178 176.591 176.519 -0.176 0.000 1.289 80 W CA 0.056 57.345 57.345 -0.093 0.000 1.256 80 W CB -0.211 29.282 29.460 0.056 0.000 1.148 80 W HN 0.602 nan 8.180 nan 0.000 0.590 81 H N -2.373 116.615 119.070 -0.136 0.000 3.058 81 H HA 0.373 4.929 4.556 -0.000 0.000 0.258 81 H C -0.693 174.573 175.328 -0.103 0.000 1.015 81 H CA -0.165 55.717 56.048 -0.277 0.000 1.210 81 H CB 0.465 30.035 29.762 -0.319 0.000 1.481 81 H HN 0.178 nan 8.280 nan 0.000 0.492 82 D N -0.656 119.715 120.400 -0.047 0.000 2.599 82 D HA 0.137 4.777 4.640 -0.000 0.000 0.252 82 D C -0.434 175.726 176.300 -0.232 0.000 1.232 82 D CA -0.729 53.164 54.000 -0.178 0.000 0.819 82 D CB 1.231 41.894 40.800 -0.230 0.000 1.401 82 D HN -0.000 nan 8.370 nan 0.000 0.429 83 F N 0.056 119.764 119.950 -0.403 0.000 2.811 83 F HA 0.082 4.609 4.527 -0.000 0.000 0.301 83 F C 1.446 177.095 175.800 -0.252 0.000 1.151 83 F CA -0.324 57.312 58.000 -0.605 0.000 1.412 83 F CB -0.625 37.917 39.000 -0.763 0.000 1.113 83 F HN 0.108 nan 8.300 nan 0.000 0.579 84 N N 1.593 120.270 118.700 -0.038 0.000 2.412 84 N HA -0.092 4.648 4.740 -0.000 0.000 0.254 84 N C 0.825 176.329 175.510 -0.009 0.000 1.232 84 N CA 0.279 53.321 53.050 -0.014 0.000 0.880 84 N CB 0.834 39.313 38.487 -0.014 0.000 1.076 84 N HN -0.024 nan 8.380 nan 0.000 0.458 85 K N 1.442 121.849 120.400 0.012 0.000 2.505 85 K HA 0.016 4.336 4.320 -0.000 0.000 0.192 85 K C 0.142 176.798 176.600 0.093 0.000 1.025 85 K CA -0.184 56.115 56.287 0.021 0.000 1.086 85 K CB -0.475 32.001 32.500 -0.039 0.000 0.840 85 K HN 0.605 nan 8.250 nan 0.000 0.514 86 N N 0.589 119.339 118.700 0.084 0.000 2.326 86 N HA 0.089 4.829 4.740 -0.000 0.000 0.239 86 N C 0.508 176.110 175.510 0.153 0.000 1.301 86 N CA 0.849 53.984 53.050 0.143 0.000 0.909 86 N CB 0.082 38.679 38.487 0.183 0.000 1.156 86 N HN 0.112 nan 8.380 nan 0.000 0.462 87 G N 0.277 109.210 108.800 0.222 0.000 3.136 87 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.871 87 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.871 87 G C 0.234 175.206 174.900 0.119 0.000 1.511 87 G CA 0.710 45.955 45.100 0.242 0.000 1.071 87 G HN 1.007 nan 8.290 nan 0.000 0.557 88 R N -1.510 118.996 120.500 0.010 0.000 1.231 88 R HA -0.220 4.120 4.340 -0.000 0.000 0.033 88 R C 1.694 177.754 176.300 -0.401 0.000 0.957 88 R CA 2.866 58.824 56.100 -0.237 0.000 1.983 88 R CB -2.013 28.085 30.300 -0.336 0.000 0.184 88 R HN 0.827 nan 8.270 nan 0.000 0.729 89 Y N 0.372 120.511 120.300 -0.269 0.000 2.509 89 Y HA 0.497 5.047 4.550 -0.000 0.000 0.270 89 Y C 1.459 176.970 175.900 -0.649 0.000 1.103 89 Y CA 1.142 58.929 58.100 -0.522 0.000 1.278 89 Y CB 0.846 38.827 38.460 -0.798 0.000 1.087 89 Y HN 0.600 nan 8.280 nan 0.000 0.542 90 G N -0.660 108.014 108.800 -0.210 0.000 2.356 90 G HA2 0.260 4.220 3.960 -0.000 0.000 0.300 90 G HA3 0.260 4.220 3.960 -0.000 0.000 0.300 90 G C -1.127 173.912 174.900 0.231 0.000 1.331 90 G CA -0.628 44.486 45.100 0.023 0.000 0.905 90 G HN 0.159 nan 8.290 nan 0.000 0.587 91 S N -0.702 115.150 115.700 0.253 0.000 2.652 91 S HA 0.436 4.906 4.470 -0.000 0.000 0.270 91 S C 1.023 175.770 174.600 0.246 0.000 1.243 91 S CA 0.653 58.981 58.200 0.213 0.000 0.999 91 S CB 1.905 65.191 63.200 0.143 0.000 0.973 91 S HN 0.792 nan 8.310 nan 0.000 0.544 92 D N 1.201 121.710 120.400 0.182 0.000 2.182 92 D HA -0.166 4.474 4.640 -0.000 0.000 0.201 92 D C 1.838 178.225 176.300 0.144 0.000 0.986 92 D CA 1.560 55.664 54.000 0.173 0.000 0.847 92 D CB -0.311 40.585 40.800 0.161 0.000 0.942 92 D HN 0.695 nan 8.370 nan 0.000 0.467 93 A N 0.392 123.278 122.820 0.110 0.000 1.898 93 A HA -0.133 4.187 4.320 -0.000 0.000 0.214 93 A C 2.221 179.838 177.584 0.056 0.000 1.183 93 A CA 1.076 53.153 52.037 0.067 0.000 0.622 93 A CB -0.497 18.534 19.000 0.052 0.000 0.824 93 A HN 0.258 nan 8.150 nan 0.000 0.444 94 Q N -0.513 119.344 119.800 0.095 0.000 2.224 94 Q HA 0.017 4.357 4.340 -0.000 0.000 0.203 94 Q C 2.010 178.015 176.000 0.009 0.000 0.970 94 Q CA 0.894 56.757 55.803 0.099 0.000 0.865 94 Q CB -0.215 28.645 28.738 0.204 0.000 0.922 94 Q HN 0.670 nan 8.270 nan 0.000 0.445 95 L N 0.516 121.695 121.223 -0.073 0.000 2.017 95 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 95 L C 2.205 178.974 176.870 -0.168 0.000 1.073 95 L CA 1.466 56.031 54.840 -0.458 0.000 0.745 95 L CB -0.084 41.764 42.059 -0.352 0.000 0.894 95 L HN 0.229 nan 8.230 nan 0.000 0.432 96 R N -0.601 119.887 120.500 -0.020 0.000 2.081 96 R HA -0.211 4.129 4.340 -0.000 0.000 0.235 96 R C 2.196 178.467 176.300 -0.048 0.000 1.131 96 R CA 1.685 57.771 56.100 -0.024 0.000 0.960 96 R CB -0.359 29.903 30.300 -0.063 0.000 0.856 96 R HN 0.516 nan 8.270 nan 0.000 0.436 97 Q N 0.378 120.153 119.800 -0.042 0.000 2.079 97 Q HA -0.093 4.247 4.340 -0.000 0.000 0.200 97 Q C 2.280 178.246 176.000 -0.056 0.000 0.974 97 Q CA 1.576 57.356 55.803 -0.039 0.000 0.840 97 Q CB -0.219 28.505 28.738 -0.022 0.000 0.898 97 Q HN 0.375 nan 8.270 nan 0.000 0.430 98 A N 1.359 124.130 122.820 -0.082 0.000 1.859 98 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 98 A C 2.342 179.865 177.584 -0.101 0.000 1.198 98 A CA 2.002 53.976 52.037 -0.105 0.000 0.629 98 A CB -1.208 17.707 19.000 -0.142 0.000 0.830 98 A HN 0.424 nan 8.150 nan 0.000 0.446 99 A N -1.288 121.473 122.820 -0.098 0.000 1.972 99 A HA -0.075 4.245 4.320 -0.000 0.000 0.219 99 A C 2.465 180.020 177.584 -0.048 0.000 1.169 99 A CA 2.199 54.198 52.037 -0.064 0.000 0.635 99 A CB -0.828 18.180 19.000 0.015 0.000 0.810 99 A HN 0.582 nan 8.150 nan 0.000 0.446 100 S N -0.725 114.948 115.700 -0.045 0.000 2.387 100 S HA 0.063 4.533 4.470 -0.000 0.000 0.226 100 S C 2.124 176.700 174.600 -0.038 0.000 1.026 100 S CA 1.346 59.522 58.200 -0.040 0.000 0.972 100 S CB -0.361 62.814 63.200 -0.042 0.000 0.814 100 S HN 0.753 nan 8.310 nan 0.000 0.477 101 A N 1.320 124.114 122.820 -0.044 0.000 1.897 101 A HA 0.147 4.467 4.320 -0.000 0.000 0.215 101 A C 2.043 179.604 177.584 -0.039 0.000 1.181 101 A CA 0.910 52.923 52.037 -0.040 0.000 0.620 101 A CB -0.657 18.316 19.000 -0.045 0.000 0.821 101 A HN 0.486 nan 8.150 nan 0.000 0.443 102 L N 0.012 121.207 121.223 -0.048 0.000 1.976 102 L HA -0.078 4.262 4.340 -0.000 0.000 0.209 102 L C 2.715 179.564 176.870 -0.034 0.000 1.071 102 L CA 2.194 57.008 54.840 -0.043 0.000 0.746 102 L CB -1.762 40.257 42.059 -0.067 0.000 0.890 102 L HN 0.393 nan 8.230 nan 0.000 0.432 103 G N -1.187 107.588 108.800 -0.041 0.000 2.442 103 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.219 103 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.219 103 G C 1.564 176.451 174.900 -0.022 0.000 1.141 103 G CA 0.771 45.851 45.100 -0.033 0.000 0.763 103 G HN 0.544 nan 8.290 nan 0.000 0.554 104 G N 0.610 109.397 108.800 -0.023 0.000 2.448 104 G HA2 0.138 4.098 3.960 -0.000 0.000 0.219 104 G HA3 0.138 4.098 3.960 -0.000 0.000 0.219 104 G C 1.608 176.500 174.900 -0.013 0.000 1.127 104 G CA 1.205 46.295 45.100 -0.017 0.000 0.766 104 G HN 0.690 nan 8.290 nan 0.000 0.552 105 A N -0.462 122.351 122.820 -0.012 0.000 2.307 105 A HA 0.514 4.834 4.320 -0.000 0.000 0.218 105 A C 1.808 179.392 177.584 0.001 0.000 1.228 105 A CA 1.062 53.097 52.037 -0.004 0.000 0.857 105 A CB -0.357 18.642 19.000 -0.002 0.000 0.897 105 A HN 1.500 nan 8.150 nan 0.000 0.495 106 G N -1.380 107.418 108.800 -0.003 0.000 2.132 106 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.234 106 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.234 106 G C 0.017 174.918 174.900 0.002 0.000 0.989 106 G CA 0.123 45.223 45.100 0.000 0.000 0.676 106 G HN 0.844 nan 8.290 nan 0.000 0.522 107 V N 1.225 121.138 119.914 -0.002 0.000 2.370 107 V HA 0.387 4.507 4.120 -0.000 0.000 0.279 107 V C 0.835 176.903 176.094 -0.043 0.000 1.029 107 V CA -0.870 61.429 62.300 -0.002 0.000 0.870 107 V CB 1.461 33.297 31.823 0.023 0.000 0.984 107 V HN 0.337 nan 8.190 nan 0.000 0.451 108 K N 2.794 123.152 120.400 -0.069 0.000 2.355 108 K HA 0.370 4.690 4.320 -0.000 0.000 0.270 108 K C -0.190 176.322 176.600 -0.148 0.000 1.003 108 K CA -0.205 56.012 56.287 -0.117 0.000 0.957 108 K CB 1.416 33.812 32.500 -0.172 0.000 0.939 108 K HN 0.609 nan 8.250 nan 0.000 0.482 109 V N 3.321 123.117 119.914 -0.196 0.000 2.370 109 V HA 0.412 4.532 4.120 -0.000 0.000 0.283 109 V C -0.743 175.099 176.094 -0.421 0.000 1.023 109 V CA -0.752 61.356 62.300 -0.320 0.000 0.857 109 V CB 0.582 32.169 31.823 -0.394 0.000 0.985 109 V HN 0.540 nan 8.190 nan 0.000 0.443 110 L N 6.740 127.745 121.223 -0.362 0.000 2.295 110 L HA 0.562 4.902 4.340 -0.000 0.000 0.285 110 L C -0.875 175.757 176.870 -0.396 0.000 1.035 110 L CA -0.554 54.097 54.840 -0.315 0.000 0.806 110 L CB 1.488 43.498 42.059 -0.082 0.000 1.214 110 L HN 0.633 nan 8.230 nan 0.000 0.426 111 Y N 0.759 120.861 120.300 -0.330 0.000 2.352 111 Y HA 0.202 4.752 4.550 -0.000 0.000 0.326 111 Y C 0.423 176.218 175.900 -0.175 0.000 1.166 111 Y CA -0.413 57.560 58.100 -0.211 0.000 1.182 111 Y CB 1.194 39.516 38.460 -0.229 0.000 1.216 111 Y HN 0.451 nan 8.280 nan 0.000 0.474 112 D N 2.437 122.858 120.400 0.034 0.000 2.312 112 D HA 0.315 4.955 4.640 -0.000 0.000 0.252 112 D C -1.128 174.992 176.300 -0.299 0.000 1.150 112 D CA 0.039 54.020 54.000 -0.031 0.000 0.870 112 D CB 0.968 41.896 40.800 0.214 0.000 1.153 112 D HN 0.365 nan 8.370 nan 0.000 0.457 113 V N 1.555 121.264 119.914 -0.342 0.000 2.604 113 V HA 0.586 4.706 4.120 -0.000 0.000 0.305 113 V C -0.318 175.704 176.094 -0.119 0.000 1.043 113 V CA -0.823 61.163 62.300 -0.523 0.000 0.888 113 V CB 1.871 33.348 31.823 -0.577 0.000 0.995 113 V HN 0.214 nan 8.190 nan 0.000 0.429 114 V N 5.894 125.808 119.914 0.000 0.000 2.233 114 V HA 0.360 4.480 4.120 -0.000 0.000 0.261 114 V C -1.478 174.925 176.094 0.516 0.000 1.076 114 V CA -0.881 61.631 62.300 0.353 0.000 1.001 114 V CB 0.741 32.856 31.823 0.488 0.000 1.206 114 V HN 0.852 nan 8.190 nan 0.000 0.468 115 P HA -0.042 nan 4.420 nan 0.000 0.229 115 P C 1.275 178.560 177.300 -0.025 0.000 1.160 115 P CA 0.836 63.718 63.100 -0.363 0.000 0.777 115 P CB 0.447 31.618 31.700 -0.882 0.000 0.814 116 N N 0.103 118.946 118.700 0.237 0.000 2.188 116 N HA -0.139 4.601 4.740 -0.000 0.000 0.184 116 N C 0.480 176.231 175.510 0.401 0.000 1.018 116 N CA 0.901 54.236 53.050 0.475 0.000 0.858 116 N CB -0.141 38.854 38.487 0.846 0.000 0.989 116 N HN 0.328 nan 8.380 nan 0.000 0.426 117 H N -3.243 116.040 119.070 0.354 0.000 2.918 117 H HA 0.532 5.088 4.556 -0.000 0.000 0.303 117 H C -0.980 174.316 175.328 -0.053 0.000 1.380 117 H CA -1.132 55.063 56.048 0.244 0.000 1.134 117 H CB 0.695 30.621 29.762 0.273 0.000 1.842 117 H HN 0.037 nan 8.280 nan 0.000 0.533 118 M N -0.534 118.972 119.600 -0.155 0.000 2.644 118 M HA 0.413 4.893 4.480 -0.000 0.000 0.273 118 M C -1.547 174.278 176.300 -0.791 0.000 1.253 118 M CA -0.835 53.929 55.300 -0.893 0.000 0.852 118 M CB 2.474 34.337 32.600 -1.228 0.000 1.708 118 M HN 0.648 nan 8.290 nan 0.000 0.471 119 N N 1.279 119.357 118.700 -1.037 0.000 2.819 119 N HA 0.094 4.834 4.740 -0.000 0.000 0.284 119 N C 0.848 176.154 175.510 -0.340 0.000 1.196 119 N CA -0.115 52.396 53.050 -0.898 0.000 1.114 119 N CB 0.437 38.549 38.487 -0.625 0.000 1.437 119 N HN 0.683 nan 8.380 nan 0.000 0.518 120 R N 2.001 122.340 120.500 -0.268 0.000 2.094 120 R HA -0.135 4.205 4.340 -0.000 0.000 0.239 120 R C 1.550 177.769 176.300 -0.136 0.000 1.137 120 R CA 1.879 57.866 56.100 -0.189 0.000 0.943 120 R CB -0.297 29.779 30.300 -0.374 0.000 0.850 120 R HN 0.459 nan 8.270 nan 0.000 0.433 121 G N -0.859 107.888 108.800 -0.088 0.000 3.279 121 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.230 121 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.230 121 G C -0.452 174.443 174.900 -0.009 0.000 1.230 121 G CA -0.430 44.641 45.100 -0.049 0.000 0.891 121 G HN 0.309 nan 8.290 nan 0.000 0.518 122 Y N 1.834 122.064 120.300 -0.118 0.000 2.319 122 Y HA 0.301 4.851 4.550 -0.000 0.000 0.328 122 Y C -0.977 174.841 175.900 -0.136 0.000 1.133 122 Y CA -2.169 55.848 58.100 -0.137 0.000 1.265 122 Y CB 1.801 40.123 38.460 -0.230 0.000 1.218 122 Y HN -0.006 nan 8.280 nan 0.000 0.508 123 P HA -0.164 nan 4.420 nan 0.000 0.202 123 P C -0.360 176.779 177.300 -0.269 0.000 1.189 123 P CA 1.200 64.042 63.100 -0.430 0.000 0.921 123 P CB -0.054 31.366 31.700 -0.467 0.000 0.756 124 D N 0.627 120.850 120.400 -0.295 0.000 2.383 124 D HA 0.188 4.828 4.640 -0.000 0.000 0.245 124 D C -0.256 176.142 176.300 0.163 0.000 1.263 124 D CA -0.286 53.703 54.000 -0.017 0.000 0.936 124 D CB -0.482 40.334 40.800 0.027 0.000 1.053 124 D HN 0.201 nan 8.370 nan 0.000 0.507 125 K N 1.163 121.638 120.400 0.125 0.000 2.532 125 K HA 0.405 4.725 4.320 -0.000 0.000 0.265 125 K C -0.003 176.644 176.600 0.079 0.000 0.948 125 K CA -0.910 55.491 56.287 0.190 0.000 0.842 125 K CB 1.425 34.055 32.500 0.217 0.000 1.392 125 K HN -0.040 nan 8.250 nan 0.000 0.436 126 E N 0.924 121.149 120.200 0.041 0.000 2.435 126 E HA 0.132 4.482 4.350 -0.000 0.000 0.195 126 E C -0.183 176.352 176.600 -0.108 0.000 1.029 126 E CA 0.397 56.776 56.400 -0.035 0.000 0.865 126 E CB 0.082 29.747 29.700 -0.059 0.000 0.833 126 E HN 0.400 nan 8.360 nan 0.000 0.510 127 I N 1.607 122.092 120.570 -0.141 0.000 2.382 127 I HA 0.203 4.373 4.170 -0.000 0.000 0.286 127 I C -0.931 175.105 176.117 -0.135 0.000 1.002 127 I CA -0.492 60.678 61.300 -0.217 0.000 1.135 127 I CB 1.400 39.170 38.000 -0.383 0.000 1.288 127 I HN -0.131 nan 8.210 nan 0.000 0.448 128 N N 7.176 125.803 118.700 -0.121 0.000 2.531 128 N HA 0.485 5.225 4.740 -0.000 0.000 0.268 128 N C -1.265 174.211 175.510 -0.056 0.000 1.023 128 N CA -0.448 52.576 53.050 -0.043 0.000 0.896 128 N CB 1.704 40.179 38.487 -0.021 0.000 1.233 128 N HN 0.410 nan 8.380 nan 0.000 0.512 129 L N 3.742 124.988 121.223 0.040 0.000 2.277 129 L HA 0.543 4.883 4.340 -0.000 0.000 0.284 129 L C -2.075 175.096 176.870 0.503 0.000 1.028 129 L CA -1.851 53.008 54.840 0.032 0.000 0.835 129 L CB 0.949 42.826 42.059 -0.303 0.000 1.215 129 L HN 0.244 nan 8.230 nan 0.000 0.425 130 P HA 0.124 nan 4.420 nan 0.000 0.271 130 P C -0.400 177.192 177.300 0.487 0.000 1.233 130 P CA -0.334 62.979 63.100 0.354 0.000 0.789 130 P CB 0.749 32.599 31.700 0.251 0.000 0.951 131 A N 0.827 123.803 122.820 0.259 0.000 2.287 131 A HA 0.563 4.883 4.320 -0.000 0.000 0.273 131 A C 0.740 178.422 177.584 0.163 0.000 1.091 131 A CA 0.065 52.230 52.037 0.213 0.000 0.817 131 A CB -0.878 18.155 19.000 0.055 0.000 1.069 131 A HN 0.849 nan 8.150 nan 0.000 0.492 132 G N 0.346 109.224 108.800 0.131 0.000 2.330 132 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.239 132 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.239 132 G C 0.057 174.963 174.900 0.009 0.000 0.818 132 G CA 0.569 45.705 45.100 0.059 0.000 1.189 132 G HN 0.975 nan 8.290 nan 0.000 0.337 133 Q N -0.612 119.133 119.800 -0.091 0.000 1.242 133 Q HA 0.073 4.413 4.340 -0.000 0.000 0.123 133 Q C 1.417 177.088 176.000 -0.548 0.000 0.685 133 Q CA 0.858 56.475 55.803 -0.310 0.000 0.599 133 Q CB -0.280 28.220 28.738 -0.398 0.000 1.062 133 Q HN 2.414 nan 8.270 nan 0.000 0.319 134 G N 1.369 109.994 108.800 -0.292 0.000 2.160 134 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.244 134 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.244 134 G C 0.301 175.087 174.900 -0.190 0.000 1.022 134 G CA 0.573 45.593 45.100 -0.133 0.000 0.741 134 G HN 0.254 nan 8.290 nan 0.000 0.508 135 F N -1.266 118.604 119.950 -0.133 0.000 2.512 135 F HA 0.367 4.894 4.527 -0.000 0.000 0.296 135 F C 1.524 177.027 175.800 -0.495 0.000 1.110 135 F CA -0.168 57.553 58.000 -0.465 0.000 1.446 135 F CB -0.042 38.538 39.000 -0.700 0.000 1.092 135 F HN 0.305 nan 8.300 nan 0.000 0.554 136 W N -0.174 121.250 121.300 0.206 0.000 2.578 136 W HA 0.455 5.115 4.660 -0.000 0.000 0.346 136 W C 1.721 178.333 176.519 0.154 0.000 1.075 136 W CA -0.999 56.450 57.345 0.173 0.000 1.233 136 W CB 0.781 30.321 29.460 0.134 0.000 1.358 136 W HN -0.392 nan 8.180 nan 0.000 0.574 137 R N 1.507 122.271 120.500 0.439 0.000 2.075 137 R HA -0.215 4.125 4.340 -0.000 0.000 0.232 137 R C 1.611 178.058 176.300 0.246 0.000 1.126 137 R CA 2.116 58.399 56.100 0.305 0.000 0.963 137 R CB -0.390 30.090 30.300 0.300 0.000 0.858 137 R HN 0.649 nan 8.270 nan 0.000 0.435 138 N N 0.405 119.258 118.700 0.254 0.000 2.571 138 N HA -0.136 4.604 4.740 -0.000 0.000 0.189 138 N C 0.368 175.965 175.510 0.146 0.000 1.154 138 N CA 1.043 54.186 53.050 0.156 0.000 0.907 138 N CB -0.233 38.310 38.487 0.092 0.000 0.977 138 N HN 0.234 nan 8.380 nan 0.000 0.449 139 D N -0.227 120.292 120.400 0.198 0.000 2.269 139 D HA 0.023 4.663 4.640 -0.000 0.000 0.208 139 D C 0.063 176.429 176.300 0.110 0.000 0.963 139 D CA 0.362 54.454 54.000 0.154 0.000 0.864 139 D CB 0.081 40.991 40.800 0.183 0.000 0.936 139 D HN 0.285 nan 8.370 nan 0.000 0.505 140 c N 0.020 118.690 118.600 0.117 0.000 2.423 140 c HA 0.770 5.340 4.570 -0.000 0.000 0.378 140 c C 0.544 174.687 174.090 0.087 0.000 1.244 140 c CA -1.202 55.184 56.329 0.095 0.000 1.978 140 c CB 1.246 43.818 42.510 0.104 0.000 2.252 140 c HN 0.273 nan 8.230 nan 0.000 0.526 141 A N 1.172 124.038 122.820 0.077 0.000 2.477 141 A HA 0.390 4.710 4.320 -0.000 0.000 0.246 141 A C -0.228 177.410 177.584 0.089 0.000 1.078 141 A CA 0.525 52.606 52.037 0.073 0.000 0.770 141 A CB -0.041 19.001 19.000 0.069 0.000 1.011 141 A HN 0.851 nan 8.150 nan 0.000 0.494 142 D N 2.685 123.130 120.400 0.076 0.000 2.412 142 D HA 0.415 5.055 4.640 -0.000 0.000 0.276 142 D C -1.638 174.687 176.300 0.041 0.000 1.196 142 D CA -1.368 52.674 54.000 0.070 0.000 0.905 142 D CB 0.834 41.669 40.800 0.057 0.000 1.081 142 D HN 0.220 nan 8.370 nan 0.000 0.502 143 P HA 0.163 nan 4.420 nan 0.000 0.216 143 P C 0.395 177.647 177.300 -0.079 0.000 1.150 143 P CA 0.539 63.719 63.100 0.134 0.000 0.837 143 P CB 0.409 32.345 31.700 0.392 0.000 0.786 144 G N -1.616 106.945 108.800 -0.398 0.000 2.342 144 G HA2 0.027 3.987 3.960 -0.000 0.000 0.297 144 G HA3 0.027 3.987 3.960 -0.000 0.000 0.297 144 G C -1.461 172.924 174.900 -0.858 0.000 1.313 144 G CA -0.766 43.774 45.100 -0.933 0.000 0.830 144 G HN 0.037 nan 8.290 nan 0.000 0.506 145 N N 0.410 118.700 118.700 -0.682 0.000 2.950 145 N HA 0.240 4.980 4.740 -0.000 0.000 0.313 145 N C -0.704 174.728 175.510 -0.130 0.000 1.213 145 N CA 0.023 52.896 53.050 -0.295 0.000 1.184 145 N CB -0.383 37.988 38.487 -0.192 0.000 1.454 145 N HN 0.477 nan 8.380 nan 0.000 0.532 146 Y N -1.103 119.209 120.300 0.019 0.000 2.597 146 Y HA 0.615 5.165 4.550 -0.000 0.000 0.340 146 Y C -3.008 172.931 175.900 0.066 0.000 1.097 146 Y CA -3.736 54.382 58.100 0.030 0.000 1.037 146 Y CB -0.255 38.221 38.460 0.025 0.000 1.305 146 Y HN 0.068 nan 8.280 nan 0.000 0.463 147 P HA 0.146 nan 4.420 nan 0.000 0.268 147 P C -0.680 176.739 177.300 0.197 0.000 1.204 147 P CA 0.204 63.422 63.100 0.195 0.000 0.768 147 P CB 0.594 32.390 31.700 0.160 0.000 0.842 148 N N 0.947 119.752 118.700 0.175 0.000 2.890 148 N HA 0.211 4.951 4.740 -0.000 0.000 0.317 148 N C 0.134 175.721 175.510 0.129 0.000 1.355 148 N CA -0.588 52.554 53.050 0.153 0.000 0.803 148 N CB 0.125 38.705 38.487 0.156 0.000 1.465 148 N HN 0.047 nan 8.380 nan 0.000 0.591 149 D N -0.552 119.913 120.400 0.109 0.000 2.350 149 D HA 0.021 4.661 4.640 -0.000 0.000 0.216 149 D C 0.227 176.590 176.300 0.105 0.000 0.968 149 D CA 0.737 54.791 54.000 0.091 0.000 0.894 149 D CB -0.232 40.611 40.800 0.071 0.000 0.909 149 D HN 0.436 nan 8.370 nan 0.000 0.520 150 c N 0.571 119.250 118.600 0.132 0.000 3.000 150 c HA 0.225 4.795 4.570 -0.000 0.000 0.286 150 c C 0.111 174.316 174.090 0.192 0.000 1.343 150 c CA -0.553 55.870 56.329 0.157 0.000 1.742 150 c CB -0.187 42.423 42.510 0.167 0.000 2.200 150 c HN 0.100 nan 8.230 nan 0.000 0.621 151 D N 0.670 121.184 120.400 0.189 0.000 2.219 151 D HA 0.050 4.690 4.640 -0.000 0.000 0.191 151 D C -0.647 175.772 176.300 0.198 0.000 1.272 151 D CA 0.013 54.146 54.000 0.223 0.000 0.873 151 D CB 0.462 41.413 40.800 0.253 0.000 1.730 151 D HN 0.256 nan 8.370 nan 0.000 0.519 152 D N 1.769 122.282 120.400 0.188 0.000 2.400 152 D HA 0.326 4.966 4.640 -0.000 0.000 0.243 152 D C 0.698 177.097 176.300 0.165 0.000 1.184 152 D CA -0.137 53.957 54.000 0.157 0.000 0.853 152 D CB 0.126 41.001 40.800 0.124 0.000 0.944 152 D HN 0.373 nan 8.370 nan 0.000 0.501 153 G N -0.927 107.987 108.800 0.190 0.000 2.788 153 G HA2 0.374 4.334 3.960 -0.000 0.000 0.293 153 G HA3 0.374 4.334 3.960 -0.000 0.000 0.293 153 G C -1.122 173.871 174.900 0.155 0.000 1.392 153 G CA -0.853 44.336 45.100 0.148 0.000 0.810 153 G HN -0.028 nan 8.290 nan 0.000 0.508 154 D N -0.158 120.297 120.400 0.091 0.000 2.384 154 D HA 0.384 5.024 4.640 -0.000 0.000 0.244 154 D C 0.886 177.357 176.300 0.286 0.000 1.251 154 D CA 0.070 54.135 54.000 0.107 0.000 0.961 154 D CB 0.742 41.530 40.800 -0.019 0.000 1.116 154 D HN 0.611 nan 8.370 nan 0.000 0.484 155 R N -0.661 120.004 120.500 0.275 0.000 2.828 155 R HA 0.544 4.884 4.340 -0.000 0.000 0.264 155 R C -1.097 175.428 176.300 0.375 0.000 1.022 155 R CA -0.787 55.511 56.100 0.329 0.000 1.021 155 R CB 0.715 31.114 30.300 0.166 0.000 1.163 155 R HN 0.274 nan 8.270 nan 0.000 0.494 156 F N 4.019 124.000 119.950 0.053 0.000 2.361 156 F HA 0.375 4.902 4.527 -0.000 0.000 0.364 156 F C 0.817 176.489 175.800 -0.214 0.000 1.120 156 F CA -0.893 56.959 58.000 -0.247 0.000 1.102 156 F CB -0.244 38.404 39.000 -0.587 0.000 1.183 156 F HN 0.793 nan 8.300 nan 0.000 0.476 157 I N 2.894 123.028 120.570 -0.728 0.000 4.908 157 I HA -0.445 3.725 4.170 -0.000 0.000 0.038 157 I C 1.841 177.760 176.117 -0.329 0.000 0.635 157 I CA 1.215 62.132 61.300 -0.638 0.000 0.200 157 I CB -1.567 35.896 38.000 -0.894 0.000 0.317 157 I HN 0.567 nan 8.210 nan 0.000 0.150 158 G N 0.395 109.025 108.800 -0.283 0.000 2.422 158 G HA2 0.215 4.175 3.960 -0.000 0.000 0.218 158 G HA3 0.215 4.175 3.960 -0.000 0.000 0.218 158 G C 1.214 176.070 174.900 -0.074 0.000 1.146 158 G CA 1.831 46.837 45.100 -0.156 0.000 0.769 158 G HN 2.077 nan 8.290 nan 0.000 0.547 159 G N 0.440 109.229 108.800 -0.018 0.000 2.131 159 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.223 159 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.223 159 G C 0.721 175.698 174.900 0.128 0.000 0.990 159 G CA 0.791 45.951 45.100 0.099 0.000 0.671 159 G HN 0.595 nan 8.290 nan 0.000 0.521 160 D N -0.078 120.372 120.400 0.082 0.000 2.323 160 D HA 0.348 4.988 4.640 -0.000 0.000 0.209 160 D C 1.905 178.241 176.300 0.061 0.000 0.973 160 D CA 0.968 54.993 54.000 0.042 0.000 0.874 160 D CB -0.231 40.560 40.800 -0.015 0.000 0.930 160 D HN 0.812 nan 8.370 nan 0.000 0.521 161 A N 0.201 123.153 122.820 0.221 0.000 2.390 161 A HA 0.140 4.460 4.320 -0.000 0.000 0.232 161 A C 0.054 177.980 177.584 0.569 0.000 1.233 161 A CA -0.380 51.855 52.037 0.331 0.000 0.907 161 A CB 0.041 19.299 19.000 0.430 0.000 0.967 161 A HN -0.091 nan 8.150 nan 0.000 0.512 162 D N 0.572 121.292 120.400 0.532 0.000 2.417 162 D HA 0.405 5.045 4.640 -0.000 0.000 0.250 162 D C -0.040 176.604 176.300 0.574 0.000 1.166 162 D CA 0.557 54.886 54.000 0.548 0.000 0.881 162 D CB 0.679 41.747 40.800 0.447 0.000 1.164 162 D HN 0.269 nan 8.370 nan 0.000 0.467 163 L N 2.376 123.854 121.223 0.424 0.000 2.421 163 L HA 0.257 4.597 4.340 -0.000 0.000 0.263 163 L C 0.871 177.893 176.870 0.255 0.000 1.122 163 L CA -0.695 54.258 54.840 0.187 0.000 0.804 163 L CB 0.495 42.629 42.059 0.126 0.000 1.150 163 L HN 0.314 nan 8.230 nan 0.000 0.457 164 N N 0.001 118.809 118.700 0.181 0.000 3.034 164 N HA -0.002 4.738 4.740 -0.000 0.000 0.265 164 N C 0.996 176.675 175.510 0.282 0.000 1.166 164 N CA -0.077 53.116 53.050 0.238 0.000 1.081 164 N CB 0.401 39.019 38.487 0.219 0.000 1.378 164 N HN 0.672 nan 8.380 nan 0.000 0.520 165 T N -1.522 113.221 114.554 0.314 0.000 2.969 165 T HA -0.093 4.257 4.350 -0.000 0.000 0.271 165 T C 1.651 176.555 174.700 0.338 0.000 1.127 165 T CA 1.137 63.463 62.100 0.377 0.000 1.102 165 T CB -0.312 68.755 68.868 0.333 0.000 0.855 165 T HN 0.336 nan 8.240 nan 0.000 0.536 166 G N -0.279 108.667 108.800 0.242 0.000 2.683 166 G HA2 0.035 3.995 3.960 -0.000 0.000 0.213 166 G HA3 0.035 3.995 3.960 -0.000 0.000 0.213 166 G C 0.413 175.407 174.900 0.157 0.000 1.142 166 G CA -0.341 44.844 45.100 0.142 0.000 0.793 166 G HN 0.743 nan 8.290 nan 0.000 0.534 167 H N 1.566 120.731 119.070 0.159 0.000 3.046 167 H HA 0.172 4.728 4.556 -0.000 0.000 0.303 167 H C -1.099 174.348 175.328 0.197 0.000 1.002 167 H CA -1.230 54.911 56.048 0.154 0.000 1.460 167 H CB 1.528 31.406 29.762 0.193 0.000 1.493 167 H HN -0.055 nan 8.280 nan 0.000 0.559 168 P HA -0.270 nan 4.420 nan 0.000 0.218 168 P C 1.193 178.684 177.300 0.319 0.000 1.152 168 P CA 1.547 64.717 63.100 0.116 0.000 0.857 168 P CB 0.172 31.850 31.700 -0.037 0.000 0.787 169 Q N -0.813 119.295 119.800 0.513 0.000 2.245 169 Q HA -0.049 4.291 4.340 -0.000 0.000 0.201 169 Q C 1.767 177.910 176.000 0.238 0.000 0.955 169 Q CA 0.860 56.909 55.803 0.410 0.000 0.870 169 Q CB -0.076 28.982 28.738 0.534 0.000 0.945 169 Q HN 0.057 nan 8.270 nan 0.000 0.461 170 V N 0.137 120.252 119.914 0.334 0.000 2.649 170 V HA -0.172 3.948 4.120 -0.000 0.000 0.248 170 V C 1.745 178.060 176.094 0.368 0.000 1.054 170 V CA 1.282 63.685 62.300 0.171 0.000 1.073 170 V CB -0.527 31.404 31.823 0.181 0.000 0.699 170 V HN 0.459 nan 8.190 nan 0.000 0.463 171 Y N 2.029 122.546 120.300 0.361 0.000 2.145 171 Y HA -0.122 4.428 4.550 -0.000 0.000 0.286 171 Y C 2.331 178.485 175.900 0.424 0.000 1.145 171 Y CA 1.979 60.367 58.100 0.481 0.000 1.148 171 Y CB -0.751 37.860 38.460 0.251 0.000 0.981 171 Y HN 0.203 nan 8.280 nan 0.000 0.507 172 G N 0.549 109.568 108.800 0.364 0.000 2.432 172 G HA2 -0.299 3.660 3.960 -0.000 0.000 0.219 172 G HA3 -0.299 3.660 3.960 -0.000 0.000 0.219 172 G C 1.741 176.610 174.900 -0.052 0.000 1.135 172 G CA 0.911 46.111 45.100 0.168 0.000 0.767 172 G HN 0.564 nan 8.290 nan 0.000 0.550 173 M N -0.699 118.836 119.600 -0.107 0.000 2.086 173 M HA 0.015 4.495 4.480 -0.000 0.000 0.261 173 M C 2.217 178.216 176.300 -0.503 0.000 1.067 173 M CA 1.581 56.709 55.300 -0.288 0.000 1.116 173 M CB -0.259 32.114 32.600 -0.379 0.000 1.348 173 M HN 0.140 nan 8.290 nan 0.000 0.407 174 F N 0.524 120.169 119.950 -0.508 0.000 2.146 174 F HA -0.084 4.443 4.527 -0.000 0.000 0.298 174 F C 2.826 177.698 175.800 -1.548 0.000 1.096 174 F CA 1.550 58.850 58.000 -1.167 0.000 1.275 174 F CB -0.883 37.350 39.000 -1.278 0.000 1.008 174 F HN 0.214 nan 8.300 nan 0.000 0.480 175 R N 0.807 120.866 120.500 -0.735 0.000 2.091 175 R HA -0.181 4.159 4.340 -0.000 0.000 0.238 175 R C 1.590 177.703 176.300 -0.312 0.000 1.136 175 R CA 2.134 57.985 56.100 -0.415 0.000 0.959 175 R CB -0.726 29.490 30.300 -0.139 0.000 0.856 175 R HN 0.204 nan 8.270 nan 0.000 0.437 176 D N 0.226 120.445 120.400 -0.302 0.000 2.117 176 D HA -0.153 4.487 4.640 -0.000 0.000 0.198 176 D C 1.820 177.949 176.300 -0.286 0.000 0.982 176 D CA 1.103 54.976 54.000 -0.211 0.000 0.828 176 D CB -0.213 40.488 40.800 -0.166 0.000 0.967 176 D HN 0.256 nan 8.370 nan 0.000 0.464 177 E N 0.187 120.060 120.200 -0.545 0.000 2.077 177 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 177 E C 1.821 178.202 176.600 -0.364 0.000 0.989 177 E CA 0.864 56.860 56.400 -0.674 0.000 0.800 177 E CB -0.373 28.452 29.700 -1.459 0.000 0.746 177 E HN 0.147 nan 8.360 nan 0.000 0.452 178 F N 0.530 120.254 119.950 -0.376 0.000 2.134 178 F HA -0.114 4.413 4.527 -0.000 0.000 0.299 178 F C 2.462 178.238 175.800 -0.040 0.000 1.097 178 F CA 1.587 59.372 58.000 -0.357 0.000 1.264 178 F CB -1.333 37.282 39.000 -0.642 0.000 1.001 178 F HN 0.032 nan 8.300 nan 0.000 0.479 179 T N -0.401 114.226 114.554 0.122 0.000 2.821 179 T HA -0.185 4.165 4.350 -0.000 0.000 0.267 179 T C 1.969 176.732 174.700 0.105 0.000 1.046 179 T CA 1.290 63.465 62.100 0.125 0.000 1.139 179 T CB -0.508 68.399 68.868 0.065 0.000 0.871 179 T HN 0.358 nan 8.240 nan 0.000 0.454 180 N N 0.609 119.341 118.700 0.054 0.000 2.069 180 N HA -0.123 4.617 4.740 -0.000 0.000 0.191 180 N C 1.855 177.476 175.510 0.185 0.000 1.031 180 N CA 0.996 54.089 53.050 0.072 0.000 0.852 180 N CB -0.138 38.348 38.487 -0.002 0.000 1.018 180 N HN 0.136 nan 8.380 nan 0.000 0.423 181 L N 1.742 123.063 121.223 0.163 0.000 2.131 181 L HA -0.041 4.299 4.340 -0.000 0.000 0.210 181 L C 2.457 179.455 176.870 0.214 0.000 1.092 181 L CA 1.289 56.216 54.840 0.146 0.000 0.759 181 L CB -0.503 41.581 42.059 0.042 0.000 0.903 181 L HN 0.129 nan 8.230 nan 0.000 0.435 182 R N -1.453 119.185 120.500 0.230 0.000 2.075 182 R HA -0.050 4.290 4.340 -0.000 0.000 0.226 182 R C 2.368 178.733 176.300 0.108 0.000 1.114 182 R CA 1.318 57.524 56.100 0.176 0.000 0.972 182 R CB -0.085 30.338 30.300 0.206 0.000 0.869 182 R HN 0.532 nan 8.270 nan 0.000 0.437 183 S N -0.358 115.394 115.700 0.088 0.000 2.470 183 S HA -0.032 4.438 4.470 -0.000 0.000 0.225 183 S C 1.540 176.120 174.600 -0.032 0.000 1.006 183 S CA 0.438 58.656 58.200 0.030 0.000 0.934 183 S CB 0.285 63.500 63.200 0.025 0.000 0.778 183 S HN 0.305 nan 8.310 nan 0.000 0.517 184 Q N -1.237 118.518 119.800 -0.075 0.000 2.245 184 Q HA 0.266 4.606 4.340 -0.000 0.000 0.236 184 Q C -0.138 175.506 176.000 -0.594 0.000 0.842 184 Q CA 0.198 55.808 55.803 -0.321 0.000 0.945 184 Q CB 0.496 28.959 28.738 -0.459 0.000 1.122 184 Q HN 0.708 nan 8.270 nan 0.000 0.506 185 Y N -0.533 119.751 120.300 -0.027 0.000 2.707 185 Y HA 0.306 4.856 4.550 -0.000 0.000 0.249 185 Y C 1.095 177.050 175.900 0.092 0.000 1.166 185 Y CA -0.057 58.034 58.100 -0.014 0.000 1.184 185 Y CB 1.242 39.610 38.460 -0.154 0.000 1.240 185 Y HN 0.131 nan 8.280 nan 0.000 0.547 186 G N 1.261 110.145 108.800 0.140 0.000 2.321 186 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.287 186 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.287 186 G C 0.510 175.481 174.900 0.119 0.000 1.018 186 G CA 0.203 45.357 45.100 0.090 0.000 0.855 186 G HN 0.679 nan 8.290 nan 0.000 0.507 187 A N -0.617 122.338 122.820 0.225 0.000 2.540 187 A HA 0.563 4.883 4.320 -0.000 0.000 0.239 187 A C 1.606 179.140 177.584 -0.082 0.000 1.061 187 A CA 1.273 53.385 52.037 0.125 0.000 0.758 187 A CB 0.555 19.587 19.000 0.053 0.000 0.991 187 A HN 1.538 nan 8.150 nan 0.000 0.502 188 G N 1.018 109.704 108.800 -0.191 0.000 3.044 188 G HA2 0.509 4.469 3.960 -0.000 0.000 0.223 188 G HA3 0.509 4.469 3.960 -0.000 0.000 0.223 188 G C 0.526 175.293 174.900 -0.221 0.000 1.123 188 G CA 0.755 45.751 45.100 -0.173 0.000 0.765 188 G HN 1.678 nan 8.290 nan 0.000 0.546 189 G N -1.032 107.514 108.800 -0.423 0.000 2.356 189 G HA2 0.462 4.422 3.960 -0.000 0.000 0.294 189 G HA3 0.462 4.422 3.960 -0.000 0.000 0.294 189 G C -2.041 172.313 174.900 -0.911 0.000 1.423 189 G CA -0.915 43.941 45.100 -0.406 0.000 0.806 189 G HN 0.025 nan 8.290 nan 0.000 0.527 190 F N 0.067 119.942 119.950 -0.125 0.000 2.565 190 F HA 0.755 5.282 4.527 -0.000 0.000 0.313 190 F C 0.316 175.895 175.800 -0.369 0.000 1.091 190 F CA -0.970 56.803 58.000 -0.379 0.000 0.915 190 F CB 2.551 41.050 39.000 -0.835 0.000 1.208 190 F HN 0.353 nan 8.300 nan 0.000 0.453 191 R N 3.397 123.734 120.500 -0.271 0.000 2.320 191 R HA 0.386 4.726 4.340 -0.000 0.000 0.319 191 R C -1.843 174.306 176.300 -0.251 0.000 0.969 191 R CA -0.442 55.497 56.100 -0.268 0.000 0.857 191 R CB 0.256 30.237 30.300 -0.532 0.000 1.160 191 R HN 0.554 nan 8.270 nan 0.000 0.491 192 F N 2.315 122.313 119.950 0.080 0.000 2.427 192 F HA 0.148 4.675 4.527 -0.000 0.000 0.352 192 F C 0.964 176.909 175.800 0.242 0.000 1.100 192 F CA -0.085 58.027 58.000 0.187 0.000 1.191 192 F CB 0.901 40.092 39.000 0.318 0.000 1.128 192 F HN 0.471 nan 8.300 nan 0.000 0.533 193 D N 2.342 123.035 120.400 0.489 0.000 2.175 193 D HA 0.242 4.882 4.640 -0.000 0.000 0.248 193 D C -0.222 176.449 176.300 0.619 0.000 1.047 193 D CA -0.347 53.964 54.000 0.519 0.000 0.883 193 D CB 0.465 41.608 40.800 0.573 0.000 1.180 193 D HN 0.435 nan 8.370 nan 0.000 0.438 194 F N 3.340 123.446 119.950 0.260 0.000 2.866 194 F HA -0.261 4.266 4.527 -0.000 0.000 0.254 194 F C 0.379 176.167 175.800 -0.021 0.000 1.009 194 F CA 0.203 58.297 58.000 0.156 0.000 0.907 194 F CB -1.137 38.029 39.000 0.276 0.000 0.859 194 F HN 0.315 nan 8.300 nan 0.000 0.842 195 V N 1.978 121.716 119.914 -0.294 0.000 2.660 195 V HA -0.314 3.806 4.120 -0.000 0.000 0.257 195 V C 2.334 178.050 176.094 -0.631 0.000 1.088 195 V CA 2.635 64.604 62.300 -0.550 0.000 1.106 195 V CB -0.484 30.993 31.823 -0.576 0.000 0.686 195 V HN 0.667 nan 8.190 nan 0.000 0.481 196 R N 0.261 120.363 120.500 -0.664 0.000 2.299 196 R HA 0.109 4.449 4.340 -0.000 0.000 0.197 196 R C 1.917 177.938 176.300 -0.466 0.000 0.971 196 R CA 1.222 56.997 56.100 -0.541 0.000 1.030 196 R CB -0.731 29.199 30.300 -0.616 0.000 0.932 196 R HN 0.328 nan 8.270 nan 0.000 0.477 197 G N -0.060 108.432 108.800 -0.513 0.000 2.813 197 G HA2 0.053 4.013 3.960 -0.000 0.000 0.209 197 G HA3 0.053 4.013 3.960 -0.000 0.000 0.209 197 G C -0.434 174.604 174.900 0.231 0.000 1.150 197 G CA 0.240 45.388 45.100 0.080 0.000 0.785 197 G HN 0.487 nan 8.290 nan 0.000 0.535 198 Y N -3.633 116.784 120.300 0.194 0.000 2.677 198 Y HA 0.718 5.268 4.550 -0.000 0.000 0.334 198 Y C -0.078 175.914 175.900 0.153 0.000 1.196 198 Y CA -2.287 55.931 58.100 0.195 0.000 1.059 198 Y CB 0.430 39.043 38.460 0.255 0.000 1.315 198 Y HN 0.117 nan 8.280 nan 0.000 0.455 199 A N 1.995 124.963 122.820 0.246 0.000 2.540 199 A HA 0.355 4.675 4.320 -0.000 0.000 0.239 199 A C -1.894 175.766 177.584 0.126 0.000 1.061 199 A CA -0.742 51.374 52.037 0.132 0.000 0.758 199 A CB -0.348 18.689 19.000 0.062 0.000 0.991 199 A HN 0.679 nan 8.150 nan 0.000 0.502 200 P HA -0.089 nan 4.420 nan 0.000 0.220 200 P C 0.860 178.017 177.300 -0.239 0.000 1.148 200 P CA 1.182 64.180 63.100 -0.169 0.000 0.803 200 P CB 0.234 31.621 31.700 -0.521 0.000 0.782 201 E N -0.801 119.300 120.200 -0.164 0.000 2.204 201 E HA -0.129 4.221 4.350 -0.000 0.000 0.194 201 E C 2.134 178.632 176.600 -0.170 0.000 0.989 201 E CA 0.700 57.002 56.400 -0.164 0.000 0.824 201 E CB -0.449 29.179 29.700 -0.120 0.000 0.756 201 E HN 0.107 nan 8.360 nan 0.000 0.477 202 R N -0.150 120.244 120.500 -0.176 0.000 2.115 202 R HA -0.056 4.284 4.340 -0.000 0.000 0.226 202 R C 1.812 177.903 176.300 -0.349 0.000 1.100 202 R CA 0.776 56.674 56.100 -0.336 0.000 0.980 202 R CB 0.003 30.041 30.300 -0.437 0.000 0.875 202 R HN 0.061 nan 8.270 nan 0.000 0.445 203 V N 1.385 121.200 119.914 -0.165 0.000 2.427 203 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 203 V C 2.154 178.199 176.094 -0.080 0.000 1.051 203 V CA 2.024 64.237 62.300 -0.144 0.000 1.048 203 V CB -0.723 30.932 31.823 -0.281 0.000 0.666 203 V HN 0.527 nan 8.190 nan 0.000 0.456 204 N N -0.313 118.311 118.700 -0.127 0.000 2.188 204 N HA -0.160 4.580 4.740 -0.000 0.000 0.184 204 N C 2.015 177.535 175.510 0.017 0.000 1.018 204 N CA 1.485 54.492 53.050 -0.073 0.000 0.858 204 N CB 0.081 38.494 38.487 -0.123 0.000 0.989 204 N HN 0.412 nan 8.380 nan 0.000 0.426 205 S N 0.381 116.074 115.700 -0.012 0.000 2.351 205 S HA -0.134 4.336 4.470 -0.000 0.000 0.220 205 S C 1.477 176.233 174.600 0.260 0.000 1.035 205 S CA 0.996 59.234 58.200 0.063 0.000 1.031 205 S CB -0.423 62.760 63.200 -0.028 0.000 0.928 205 S HN 0.490 nan 8.310 nan 0.000 0.433 206 W N 1.420 122.857 121.300 0.228 0.000 2.321 206 W HA -0.073 4.587 4.660 -0.000 0.000 0.306 206 W C 2.289 178.910 176.519 0.171 0.000 1.217 206 W CA 0.872 58.333 57.345 0.193 0.000 1.257 206 W CB -0.958 28.638 29.460 0.227 0.000 1.145 206 W HN 0.338 nan 8.180 nan 0.000 0.509 207 M N -0.802 119.007 119.600 0.349 0.000 2.156 207 M HA -0.083 4.397 4.480 -0.000 0.000 0.264 207 M C 1.850 178.276 176.300 0.211 0.000 1.067 207 M CA 1.510 56.967 55.300 0.262 0.000 1.131 207 M CB -1.921 30.803 32.600 0.207 0.000 1.368 207 M HN -0.155 nan 8.290 nan 0.000 0.416 208 T N 0.950 115.608 114.554 0.174 0.000 2.746 208 T HA -0.128 4.222 4.350 -0.000 0.000 0.267 208 T C 1.328 176.124 174.700 0.160 0.000 1.039 208 T CA 1.483 63.665 62.100 0.137 0.000 1.142 208 T CB -0.199 68.726 68.868 0.095 0.000 0.866 208 T HN 0.281 nan 8.240 nan 0.000 0.444 209 D N 0.694 121.222 120.400 0.213 0.000 2.149 209 D HA 0.036 4.676 4.640 -0.000 0.000 0.201 209 D C 2.249 178.669 176.300 0.200 0.000 0.972 209 D CA 0.933 55.062 54.000 0.214 0.000 0.835 209 D CB -0.119 40.849 40.800 0.281 0.000 0.966 209 D HN 0.301 nan 8.370 nan 0.000 0.476 210 S N -0.883 114.957 115.700 0.234 0.000 2.527 210 S HA 0.398 4.868 4.470 -0.000 0.000 0.227 210 S C 1.030 175.772 174.600 0.237 0.000 1.059 210 S CA 0.238 58.575 58.200 0.229 0.000 0.919 210 S CB 1.375 64.740 63.200 0.275 0.000 0.805 210 S HN 0.282 nan 8.310 nan 0.000 0.500 211 A N 1.041 124.006 122.820 0.243 0.000 3.346 211 A HA 0.391 4.711 4.320 -0.000 0.000 0.222 211 A C 0.234 177.938 177.584 0.200 0.000 1.138 211 A CA -0.374 51.803 52.037 0.232 0.000 1.074 211 A CB -0.267 18.929 19.000 0.328 0.000 1.347 211 A HN 0.098 nan 8.150 nan 0.000 0.751 212 D N 0.771 121.269 120.400 0.165 0.000 2.203 212 D HA -0.167 4.473 4.640 -0.000 0.000 0.199 212 D C 1.207 177.587 176.300 0.133 0.000 0.997 212 D CA 2.069 56.151 54.000 0.136 0.000 0.863 212 D CB 0.259 41.124 40.800 0.108 0.000 0.928 212 D HN 0.487 nan 8.370 nan 0.000 0.458 213 N N -0.481 118.308 118.700 0.148 0.000 2.236 213 N HA 0.090 4.830 4.740 -0.000 0.000 0.196 213 N C -0.226 175.436 175.510 0.253 0.000 1.114 213 N CA -0.005 53.147 53.050 0.170 0.000 0.859 213 N CB 0.752 39.325 38.487 0.143 0.000 0.982 213 N HN 0.027 nan 8.380 nan 0.000 0.493 214 S N 0.297 116.128 115.700 0.218 0.000 2.661 214 S HA 0.265 4.734 4.470 -0.000 0.000 0.265 214 S C -0.152 174.591 174.600 0.239 0.000 1.225 214 S CA -0.495 57.822 58.200 0.196 0.000 0.986 214 S CB 0.869 64.148 63.200 0.132 0.000 1.008 214 S HN 0.177 nan 8.310 nan 0.000 0.565 215 F N 1.629 121.591 119.950 0.021 0.000 2.384 215 F HA 0.517 5.044 4.527 -0.000 0.000 0.338 215 F C 0.101 175.935 175.800 0.057 0.000 1.103 215 F CA -0.841 57.185 58.000 0.043 0.000 1.157 215 F CB 0.260 39.215 39.000 -0.074 0.000 1.167 215 F HN 0.696 nan 8.300 nan 0.000 0.529 216 c N 5.112 123.211 118.600 -0.835 0.000 2.898 216 c HA 0.897 5.467 4.570 -0.000 0.000 0.304 216 c C -0.873 172.809 174.090 -0.681 0.000 1.237 216 c CA -1.257 54.823 56.329 -0.415 0.000 1.529 216 c CB 0.766 43.330 42.510 0.090 0.000 2.021 216 c HN 0.898 nan 8.230 nan 0.000 0.474 217 V N 1.157 120.951 119.914 -0.200 0.000 2.851 217 V HA 0.901 5.021 4.120 -0.000 0.000 0.307 217 V C -0.041 176.090 176.094 0.061 0.000 1.129 217 V CA 0.666 62.860 62.300 -0.178 0.000 0.932 217 V CB 2.051 33.642 31.823 -0.386 0.000 1.024 217 V HN 1.630 nan 8.190 nan 0.000 0.426 218 G N 3.565 112.404 108.800 0.064 0.000 2.448 218 G HA2 0.590 4.550 3.960 -0.000 0.000 0.324 218 G HA3 0.590 4.550 3.960 -0.000 0.000 0.324 218 G C -1.186 173.688 174.900 -0.043 0.000 1.203 218 G CA -0.559 44.502 45.100 -0.065 0.000 0.954 218 G HN 0.850 nan 8.290 nan 0.000 0.480 219 Q N 1.170 121.031 119.800 0.101 0.000 2.400 219 Q HA 0.464 4.803 4.340 -0.000 0.000 0.255 219 Q C -1.404 174.566 176.000 -0.050 0.000 1.008 219 Q CA -0.754 55.213 55.803 0.275 0.000 0.841 219 Q CB 1.238 30.169 28.738 0.321 0.000 1.220 219 Q HN 0.380 nan 8.270 nan 0.000 0.474 220 L N 6.081 127.239 121.223 -0.108 0.000 2.301 220 L HA 0.431 4.771 4.340 -0.000 0.000 0.278 220 L C -1.885 174.912 176.870 -0.121 0.000 1.022 220 L CA -0.228 54.468 54.840 -0.239 0.000 0.854 220 L CB 0.807 42.634 42.059 -0.386 0.000 1.226 220 L HN 0.696 nan 8.230 nan 0.000 0.429 221 W N 7.284 128.314 121.300 -0.450 0.000 2.394 221 W HA 0.533 5.193 4.660 -0.000 0.000 0.312 221 W C -1.031 175.274 176.519 -0.356 0.000 0.981 221 W CA -1.240 55.744 57.345 -0.601 0.000 1.519 221 W CB 0.563 29.551 29.460 -0.786 0.000 1.304 221 W HN 0.631 nan 8.180 nan 0.000 0.412 222 K N 3.739 124.151 120.400 0.019 0.000 2.651 222 K HA 0.489 4.809 4.320 -0.000 0.000 0.259 222 K C 0.108 176.510 176.600 -0.331 0.000 1.017 222 K CA -0.429 55.728 56.287 -0.217 0.000 0.897 222 K CB 0.717 33.022 32.500 -0.324 0.000 1.262 222 K HN 0.444 nan 8.250 nan 0.000 0.460 223 G N 3.350 111.839 108.800 -0.518 0.000 2.537 223 G HA2 0.250 4.210 3.960 -0.000 0.000 0.273 223 G HA3 0.250 4.210 3.960 -0.000 0.000 0.273 223 G C -1.856 172.770 174.900 -0.456 0.000 1.189 223 G CA -1.473 43.026 45.100 -1.002 0.000 0.881 223 G HN 0.410 nan 8.290 nan 0.000 0.535 224 P HA -0.166 nan 4.420 nan 0.000 0.216 224 P C 2.173 179.421 177.300 -0.086 0.000 1.153 224 P CA 2.065 65.025 63.100 -0.234 0.000 0.858 224 P CB 0.042 31.578 31.700 -0.273 0.000 0.789 225 S N -0.838 114.793 115.700 -0.114 0.000 2.584 225 S HA -0.123 4.347 4.470 -0.000 0.000 0.240 225 S C 1.371 175.893 174.600 -0.131 0.000 0.975 225 S CA 0.821 58.965 58.200 -0.093 0.000 0.949 225 S CB -1.115 62.045 63.200 -0.067 0.000 0.761 225 S HN 0.309 nan 8.310 nan 0.000 0.536 226 E N -0.638 119.454 120.200 -0.180 0.000 2.481 226 E HA 0.168 4.518 4.350 -0.000 0.000 0.198 226 E C -0.726 175.622 176.600 -0.421 0.000 1.027 226 E CA -0.177 56.035 56.400 -0.313 0.000 0.900 226 E CB 0.158 29.607 29.700 -0.418 0.000 0.993 226 E HN 0.621 nan 8.360 nan 0.000 0.482 227 Y N 1.436 121.555 120.300 -0.301 0.000 2.335 227 Y HA 0.228 4.778 4.550 -0.000 0.000 0.323 227 Y C -1.980 173.662 175.900 -0.430 0.000 1.224 227 Y CA -2.903 54.974 58.100 -0.371 0.000 1.241 227 Y CB 0.309 38.520 38.460 -0.415 0.000 1.235 227 Y HN -0.091 nan 8.280 nan 0.000 0.492 228 P HA 0.045 nan 4.420 nan 0.000 0.269 228 P C -0.262 176.635 177.300 -0.672 0.000 1.217 228 P CA 0.153 62.799 63.100 -0.758 0.000 0.783 228 P CB 0.736 31.568 31.700 -1.447 0.000 0.898 229 N N 0.558 118.981 118.700 -0.460 0.000 2.289 229 N HA -0.135 4.604 4.740 -0.000 0.000 0.184 229 N C 1.223 176.682 175.510 -0.085 0.000 1.016 229 N CA 1.062 53.996 53.050 -0.194 0.000 0.872 229 N CB -0.265 38.197 38.487 -0.043 0.000 0.973 229 N HN 0.658 nan 8.380 nan 0.000 0.433 230 W N -0.092 121.213 121.300 0.009 0.000 3.003 230 W HA 0.259 4.918 4.660 -0.000 0.000 0.257 230 W C -0.001 176.539 176.519 0.036 0.000 1.308 230 W CA -0.497 56.860 57.345 0.020 0.000 1.529 230 W CB -0.442 29.024 29.460 0.011 0.000 1.115 230 W HN -0.107 nan 8.180 nan 0.000 0.659 231 D N 2.509 122.831 120.400 -0.129 0.000 2.350 231 D HA -0.099 4.541 4.640 -0.000 0.000 0.249 231 D C 1.645 177.900 176.300 -0.075 0.000 1.119 231 D CA -0.258 53.688 54.000 -0.089 0.000 0.886 231 D CB 0.673 41.202 40.800 -0.452 0.000 1.195 231 D HN 0.266 nan 8.370 nan 0.000 0.437 232 W N 5.114 126.402 121.300 -0.021 0.000 2.364 232 W HA -0.118 4.542 4.660 -0.000 0.000 0.281 232 W C 0.919 177.356 176.519 -0.136 0.000 1.219 232 W CA 0.059 57.376 57.345 -0.046 0.000 1.220 232 W CB -0.547 28.905 29.460 -0.013 0.000 1.127 232 W HN 0.373 nan 8.180 nan 0.000 0.556 233 R N 0.946 120.810 120.500 -1.059 0.000 2.307 233 R HA -0.061 4.279 4.340 -0.000 0.000 0.199 233 R C 1.954 177.804 176.300 -0.749 0.000 1.000 233 R CA 0.646 55.979 56.100 -1.277 0.000 1.023 233 R CB -0.552 28.504 30.300 -2.072 0.000 0.908 233 R HN 0.225 nan 8.270 nan 0.000 0.473 234 N N 1.019 119.459 118.700 -0.434 0.000 2.494 234 N HA -0.088 4.651 4.740 -0.000 0.000 0.182 234 N C 0.554 175.978 175.510 -0.142 0.000 1.076 234 N CA 1.412 54.327 53.050 -0.225 0.000 0.908 234 N CB 0.412 38.794 38.487 -0.174 0.000 0.967 234 N HN 0.205 nan 8.380 nan 0.000 0.449 235 T N -3.511 110.976 114.554 -0.111 0.000 3.111 235 T HA 0.536 4.886 4.350 -0.000 0.000 0.284 235 T C 0.420 175.129 174.700 0.016 0.000 0.983 235 T CA -0.441 61.645 62.100 -0.024 0.000 0.900 235 T CB 0.456 69.339 68.868 0.025 0.000 1.132 235 T HN 0.195 nan 8.240 nan 0.000 0.531 236 A N 2.063 124.868 122.820 -0.025 0.000 2.246 236 A HA 0.789 5.109 4.320 -0.000 0.000 0.291 236 A C 0.708 178.312 177.584 0.034 0.000 1.103 236 A CA -0.363 51.714 52.037 0.067 0.000 0.844 236 A CB 0.432 19.462 19.000 0.049 0.000 1.136 236 A HN 0.689 nan 8.150 nan 0.000 0.500 237 S N -1.587 114.191 115.700 0.131 0.000 2.617 237 S HA 0.223 4.693 4.470 -0.000 0.000 0.269 237 S C 0.372 175.109 174.600 0.229 0.000 1.292 237 S CA -0.287 58.040 58.200 0.211 0.000 1.010 237 S CB 0.202 63.552 63.200 0.250 0.000 0.944 237 S HN 0.678 nan 8.310 nan 0.000 0.536 238 W N 0.716 122.107 121.300 0.152 0.000 2.342 238 W HA -0.057 4.603 4.660 -0.000 0.000 0.297 238 W C 2.855 179.509 176.519 0.225 0.000 1.213 238 W CA 1.210 58.667 57.345 0.186 0.000 1.251 238 W CB -0.392 29.196 29.460 0.213 0.000 1.136 238 W HN 0.765 nan 8.180 nan 0.000 0.526 239 Q N -0.166 119.931 119.800 0.495 0.000 2.124 239 Q HA -0.249 4.091 4.340 -0.000 0.000 0.202 239 Q C 2.129 178.424 176.000 0.493 0.000 0.977 239 Q CA 1.520 57.610 55.803 0.478 0.000 0.850 239 Q CB -0.246 28.784 28.738 0.487 0.000 0.901 239 Q HN 0.476 nan 8.270 nan 0.000 0.429 240 Q N -0.036 120.043 119.800 0.466 0.000 2.083 240 Q HA -0.101 4.239 4.340 -0.000 0.000 0.198 240 Q C 2.064 178.263 176.000 0.331 0.000 0.969 240 Q CA 0.860 56.958 55.803 0.491 0.000 0.838 240 Q CB 0.043 29.106 28.738 0.541 0.000 0.900 240 Q HN 0.371 nan 8.270 nan 0.000 0.436 241 I N 0.125 120.796 120.570 0.168 0.000 2.163 241 I HA -0.307 3.863 4.170 -0.000 0.000 0.243 241 I C 1.980 178.193 176.117 0.160 0.000 1.085 241 I CA 1.006 62.308 61.300 0.003 0.000 1.347 241 I CB -0.110 37.804 38.000 -0.144 0.000 1.044 241 I HN 0.196 nan 8.210 nan 0.000 0.408 242 I N 0.644 121.357 120.570 0.237 0.000 2.252 242 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 242 I C 2.403 178.671 176.117 0.251 0.000 1.102 242 I CA 1.541 63.012 61.300 0.286 0.000 1.385 242 I CB -0.343 37.871 38.000 0.357 0.000 1.064 242 I HN 0.087 nan 8.210 nan 0.000 0.414 243 K N 0.539 121.010 120.400 0.119 0.000 2.103 243 K HA -0.192 4.128 4.320 -0.000 0.000 0.204 243 K C 1.844 178.397 176.600 -0.079 0.000 1.052 243 K CA 1.726 57.935 56.287 -0.130 0.000 0.945 243 K CB -0.357 31.745 32.500 -0.662 0.000 0.722 243 K HN 0.292 nan 8.250 nan 0.000 0.443 244 D N -0.720 119.719 120.400 0.064 0.000 2.097 244 D HA -0.214 4.426 4.640 -0.000 0.000 0.195 244 D C 1.657 178.014 176.300 0.096 0.000 0.989 244 D CA 1.476 55.546 54.000 0.116 0.000 0.827 244 D CB -0.268 40.727 40.800 0.325 0.000 0.966 244 D HN 0.435 nan 8.370 nan 0.000 0.456 245 W N 0.682 121.995 121.300 0.021 0.000 2.338 245 W HA -0.197 4.463 4.660 -0.000 0.000 0.304 245 W C 2.696 179.204 176.519 -0.019 0.000 1.212 245 W CA 2.155 59.505 57.345 0.008 0.000 1.264 245 W CB -0.735 28.740 29.460 0.024 0.000 1.142 245 W HN -0.018 nan 8.180 nan 0.000 0.512 246 S N 0.057 115.806 115.700 0.081 0.000 2.368 246 S HA -0.205 4.265 4.470 -0.000 0.000 0.224 246 S C 1.520 175.967 174.600 -0.256 0.000 1.029 246 S CA 1.893 60.035 58.200 -0.096 0.000 0.988 246 S CB -0.660 62.599 63.200 0.098 0.000 0.838 246 S HN 0.247 nan 8.310 nan 0.000 0.462 247 D N 1.205 121.482 120.400 -0.204 0.000 2.123 247 D HA -0.097 4.543 4.640 -0.000 0.000 0.196 247 D C 2.257 178.420 176.300 -0.229 0.000 0.992 247 D CA 1.121 55.002 54.000 -0.198 0.000 0.833 247 D CB -0.233 40.470 40.800 -0.160 0.000 0.954 247 D HN 0.524 nan 8.370 nan 0.000 0.455 248 R N 0.322 120.645 120.500 -0.295 0.000 2.127 248 R HA 0.232 4.572 4.340 -0.000 0.000 0.217 248 R C 1.981 178.028 176.300 -0.422 0.000 1.074 248 R CA 0.891 56.803 56.100 -0.314 0.000 0.991 248 R CB -0.076 30.056 30.300 -0.280 0.000 0.895 248 R HN 0.076 nan 8.270 nan 0.000 0.450 249 A N 1.392 123.798 122.820 -0.690 0.000 2.178 249 A HA 0.040 4.360 4.320 -0.000 0.000 0.211 249 A C 0.304 177.628 177.584 -0.433 0.000 1.157 249 A CA -0.001 51.606 52.037 -0.717 0.000 0.780 249 A CB 0.163 18.243 19.000 -1.534 0.000 0.828 249 A HN 0.073 nan 8.150 nan 0.000 0.476 250 K N -1.155 119.032 120.400 -0.355 0.000 3.077 250 K HA -0.176 4.144 4.320 -0.000 0.000 0.264 250 K C -0.722 175.777 176.600 -0.169 0.000 1.008 250 K CA 0.867 57.023 56.287 -0.218 0.000 0.740 250 K CB -3.068 29.342 32.500 -0.150 0.000 1.273 250 K HN 0.544 nan 8.250 nan 0.000 0.477 251 c N -0.718 117.775 118.600 -0.178 0.000 2.797 251 c HA 0.453 5.023 4.570 -0.000 0.000 0.306 251 c C -2.064 172.035 174.090 0.016 0.000 1.207 251 c CA -1.654 54.629 56.329 -0.077 0.000 1.507 251 c CB 2.022 44.568 42.510 0.059 0.000 2.028 251 c HN 0.156 nan 8.230 nan 0.000 0.475 252 P HA 0.195 nan 4.420 nan 0.000 0.270 252 P C -0.898 176.496 177.300 0.157 0.000 1.221 252 P CA 0.069 63.206 63.100 0.062 0.000 0.788 252 P CB 0.470 32.179 31.700 0.015 0.000 0.904 253 V N 2.172 122.189 119.914 0.171 0.000 2.760 253 V HA 0.425 4.545 4.120 -0.000 0.000 0.309 253 V C -1.028 175.162 176.094 0.160 0.000 1.077 253 V CA -0.965 61.445 62.300 0.183 0.000 0.910 253 V CB 0.971 32.999 31.823 0.341 0.000 1.008 253 V HN 0.199 nan 8.190 nan 0.000 0.424 254 F N 3.745 123.804 119.950 0.181 0.000 2.608 254 F HA 0.154 4.681 4.527 -0.000 0.000 0.380 254 F C 1.165 177.144 175.800 0.297 0.000 1.083 254 F CA 0.394 58.508 58.000 0.191 0.000 1.266 254 F CB 0.246 39.299 39.000 0.088 0.000 1.076 254 F HN 0.550 nan 8.300 nan 0.000 0.574 255 D N 4.243 124.914 120.400 0.451 0.000 2.541 255 D HA -0.025 4.615 4.640 -0.000 0.000 0.231 255 D C 0.908 177.322 176.300 0.190 0.000 1.163 255 D CA 0.322 54.504 54.000 0.304 0.000 1.077 255 D CB -0.471 40.445 40.800 0.195 0.000 1.110 255 D HN 0.346 nan 8.370 nan 0.000 0.499 256 F N 1.115 121.241 119.950 0.293 0.000 2.502 256 F HA -0.002 4.525 4.527 -0.000 0.000 0.298 256 F C 2.321 178.097 175.800 -0.041 0.000 1.111 256 F CA 0.492 58.592 58.000 0.167 0.000 1.445 256 F CB 0.010 39.196 39.000 0.308 0.000 1.081 256 F HN 0.397 nan 8.300 nan 0.000 0.558 257 A N -0.156 122.796 122.820 0.220 0.000 1.872 257 A HA -0.137 4.183 4.320 -0.000 0.000 0.214 257 A C 2.075 179.583 177.584 -0.128 0.000 1.187 257 A CA 1.327 53.416 52.037 0.087 0.000 0.614 257 A CB -0.983 18.194 19.000 0.295 0.000 0.826 257 A HN 0.320 nan 8.150 nan 0.000 0.442 258 L N -0.252 120.893 121.223 -0.130 0.000 2.083 258 L HA -0.106 4.234 4.340 -0.000 0.000 0.209 258 L C 2.235 178.761 176.870 -0.575 0.000 1.083 258 L CA 2.585 57.251 54.840 -0.289 0.000 0.752 258 L CB -0.433 41.496 42.059 -0.217 0.000 0.899 258 L HN 0.343 nan 8.230 nan 0.000 0.433 259 K N -0.016 119.951 120.400 -0.722 0.000 2.057 259 K HA -0.218 4.102 4.320 -0.000 0.000 0.207 259 K C 2.165 178.122 176.600 -1.071 0.000 1.049 259 K CA 1.741 57.410 56.287 -1.030 0.000 0.931 259 K CB -0.485 31.279 32.500 -1.226 0.000 0.714 259 K HN 0.410 nan 8.250 nan 0.000 0.440 260 E N 0.347 119.997 120.200 -0.917 0.000 2.110 260 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 260 E C 1.784 178.085 176.600 -0.498 0.000 0.988 260 E CA 0.974 56.887 56.400 -0.811 0.000 0.804 260 E CB 0.069 29.167 29.700 -1.003 0.000 0.745 260 E HN 0.167 nan 8.360 nan 0.000 0.458 261 R N -0.257 120.006 120.500 -0.395 0.000 2.115 261 R HA 0.046 4.386 4.340 -0.000 0.000 0.226 261 R C 2.396 178.594 176.300 -0.171 0.000 1.100 261 R CA 0.683 56.676 56.100 -0.177 0.000 0.980 261 R CB -0.484 29.787 30.300 -0.049 0.000 0.875 261 R HN 0.342 nan 8.270 nan 0.000 0.445 262 M N 0.396 119.709 119.600 -0.477 0.000 2.132 262 M HA -0.147 4.333 4.480 -0.000 0.000 0.263 262 M C 2.007 178.163 176.300 -0.241 0.000 1.065 262 M CA 1.498 56.526 55.300 -0.455 0.000 1.122 262 M CB -0.162 31.915 32.600 -0.872 0.000 1.365 262 M HN -0.063 nan 8.290 nan 0.000 0.411 263 Q N 0.160 119.694 119.800 -0.444 0.000 2.083 263 Q HA -0.042 4.298 4.340 -0.000 0.000 0.198 263 Q C 1.135 177.062 176.000 -0.123 0.000 0.969 263 Q CA 1.509 57.086 55.803 -0.377 0.000 0.838 263 Q CB -0.440 27.812 28.738 -0.810 0.000 0.900 263 Q HN 0.676 nan 8.270 nan 0.000 0.436 264 N N -0.818 117.829 118.700 -0.089 0.000 2.397 264 N HA 0.131 4.870 4.740 -0.000 0.000 0.190 264 N C 0.807 176.332 175.510 0.025 0.000 1.099 264 N CA 0.287 53.348 53.050 0.018 0.000 0.876 264 N CB 0.759 39.284 38.487 0.064 0.000 1.143 264 N HN 0.082 nan 8.380 nan 0.000 0.468 265 G N 0.352 109.169 108.800 0.029 0.000 2.641 265 G HA2 0.428 4.388 3.960 -0.000 0.000 0.239 265 G HA3 0.428 4.388 3.960 -0.000 0.000 0.239 265 G C -0.276 174.648 174.900 0.040 0.000 1.402 265 G CA -0.357 44.770 45.100 0.045 0.000 1.046 265 G HN 0.175 nan 8.290 nan 0.000 0.565 266 S N -1.495 114.196 115.700 -0.015 0.000 2.722 266 S HA 0.346 4.816 4.470 -0.000 0.000 0.292 266 S C 1.408 175.791 174.600 -0.362 0.000 1.135 266 S CA -0.570 57.550 58.200 -0.133 0.000 1.003 266 S CB 1.663 64.783 63.200 -0.133 0.000 1.067 266 S HN 0.552 nan 8.310 nan 0.000 0.546 267 I N 0.575 120.747 120.570 -0.663 0.000 2.335 267 I HA -0.175 3.995 4.170 -0.000 0.000 0.251 267 I C 2.358 177.905 176.117 -0.951 0.000 1.129 267 I CA 1.622 62.049 61.300 -1.454 0.000 1.402 267 I CB -0.593 36.706 38.000 -1.169 0.000 1.069 267 I HN 0.856 nan 8.210 nan 0.000 0.424 268 A N -0.069 122.459 122.820 -0.487 0.000 1.930 268 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 268 A C 1.819 179.253 177.584 -0.249 0.000 1.175 268 A CA 1.754 53.612 52.037 -0.298 0.000 0.627 268 A CB -0.532 18.358 19.000 -0.182 0.000 0.815 268 A HN 0.463 nan 8.150 nan 0.000 0.443 269 D N -1.200 119.115 120.400 -0.143 0.000 2.378 269 D HA -0.106 4.534 4.640 -0.000 0.000 0.227 269 D C 0.931 177.282 176.300 0.084 0.000 1.012 269 D CA 0.310 54.341 54.000 0.052 0.000 0.905 269 D CB -0.264 40.618 40.800 0.137 0.000 0.895 269 D HN 0.662 nan 8.370 nan 0.000 0.532 270 W N 2.021 123.145 121.300 -0.293 0.000 2.468 270 W HA -0.086 4.574 4.660 -0.000 0.000 0.262 270 W C 1.911 178.192 176.519 -0.397 0.000 1.241 270 W CA 0.300 57.438 57.345 -0.345 0.000 1.232 270 W CB -0.483 28.685 29.460 -0.486 0.000 1.124 270 W HN 0.213 nan 8.180 nan 0.000 0.597 271 K N -0.798 119.317 120.400 -0.475 0.000 2.555 271 K HA -0.086 4.234 4.320 -0.000 0.000 0.193 271 K C 0.599 176.827 176.600 -0.620 0.000 1.032 271 K CA 1.235 56.951 56.287 -0.951 0.000 1.004 271 K CB -0.709 30.603 32.500 -1.979 0.000 0.804 271 K HN 0.212 nan 8.250 nan 0.000 0.496 272 H N 0.355 119.355 119.070 -0.118 0.000 2.529 272 H HA 0.206 4.762 4.556 -0.000 0.000 0.277 272 H C 0.867 176.221 175.328 0.043 0.000 1.004 272 H CA -0.297 55.734 56.048 -0.029 0.000 1.167 272 H CB 0.730 30.479 29.762 -0.022 0.000 1.445 272 H HN 0.351 nan 8.280 nan 0.000 0.554 273 G N -0.036 108.837 108.800 0.123 0.000 2.580 273 G HA2 0.140 4.100 3.960 -0.000 0.000 0.278 273 G HA3 0.140 4.100 3.960 -0.000 0.000 0.278 273 G C 0.877 175.903 174.900 0.209 0.000 1.212 273 G CA -0.521 44.658 45.100 0.131 0.000 0.939 273 G HN 0.239 nan 8.290 nan 0.000 0.513 274 L N 0.667 122.036 121.223 0.242 0.000 2.079 274 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 274 L C 2.523 179.568 176.870 0.291 0.000 1.081 274 L CA 2.307 57.333 54.840 0.309 0.000 0.752 274 L CB -0.525 41.728 42.059 0.325 0.000 0.896 274 L HN 0.741 nan 8.230 nan 0.000 0.433 275 N N -0.779 118.067 118.700 0.244 0.000 2.571 275 N HA -0.059 4.681 4.740 -0.000 0.000 0.189 275 N C 1.473 177.140 175.510 0.262 0.000 1.154 275 N CA 1.089 54.271 53.050 0.220 0.000 0.907 275 N CB -0.410 38.166 38.487 0.149 0.000 0.977 275 N HN 0.424 nan 8.380 nan 0.000 0.449 276 G N -0.195 108.799 108.800 0.322 0.000 2.986 276 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.213 276 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.213 276 G C 0.329 175.430 174.900 0.336 0.000 1.156 276 G CA -0.530 44.843 45.100 0.454 0.000 0.763 276 G HN 0.382 nan 8.290 nan 0.000 0.547 277 N N 1.745 120.599 118.700 0.257 0.000 2.411 277 N HA 0.103 4.843 4.740 -0.000 0.000 0.265 277 N C -1.023 174.578 175.510 0.151 0.000 1.266 277 N CA -0.942 52.222 53.050 0.190 0.000 0.889 277 N CB 1.467 40.107 38.487 0.254 0.000 1.069 277 N HN -0.056 nan 8.380 nan 0.000 0.476 278 P HA -0.122 nan 4.420 nan 0.000 0.226 278 P C -0.408 176.926 177.300 0.056 0.000 1.146 278 P CA 1.000 64.141 63.100 0.068 0.000 0.773 278 P CB 0.133 31.855 31.700 0.038 0.000 0.772 279 D N 0.322 120.752 120.400 0.051 0.000 2.232 279 D HA 0.108 4.748 4.640 -0.000 0.000 0.242 279 D C -1.337 175.088 176.300 0.208 0.000 1.093 279 D CA -2.647 51.416 54.000 0.104 0.000 0.845 279 D CB 1.564 42.381 40.800 0.029 0.000 1.124 279 D HN -0.054 nan 8.370 nan 0.000 0.467 280 P HA -0.133 nan 4.420 nan 0.000 0.217 280 P C 1.075 178.505 177.300 0.218 0.000 1.150 280 P CA 0.739 63.947 63.100 0.180 0.000 0.832 280 P CB 0.453 32.235 31.700 0.136 0.000 0.787 281 R N -1.492 119.151 120.500 0.239 0.000 2.189 281 R HA -0.091 4.249 4.340 -0.000 0.000 0.223 281 R C 2.162 178.573 176.300 0.186 0.000 1.092 281 R CA 1.016 57.230 56.100 0.191 0.000 0.989 281 R CB -1.101 29.298 30.300 0.165 0.000 0.876 281 R HN 0.363 nan 8.270 nan 0.000 0.457 282 W N 0.827 122.182 121.300 0.091 0.000 2.560 282 W HA 0.155 4.815 4.660 -0.000 0.000 0.303 282 W C 2.536 179.136 176.519 0.136 0.000 1.151 282 W CA 0.408 57.822 57.345 0.114 0.000 1.426 282 W CB -0.657 28.874 29.460 0.117 0.000 1.135 282 W HN -0.022 nan 8.180 nan 0.000 0.522 283 R N 1.361 122.096 120.500 0.392 0.000 2.091 283 R HA -0.215 4.125 4.340 -0.000 0.000 0.238 283 R C 1.996 178.439 176.300 0.238 0.000 1.136 283 R CA 2.178 58.450 56.100 0.286 0.000 0.959 283 R CB -0.634 29.811 30.300 0.242 0.000 0.856 283 R HN 0.427 nan 8.270 nan 0.000 0.437 284 E N 0.474 120.817 120.200 0.238 0.000 2.338 284 E HA -0.100 4.250 4.350 -0.000 0.000 0.197 284 E C 1.520 178.303 176.600 0.305 0.000 1.007 284 E CA 1.346 57.914 56.400 0.280 0.000 0.849 284 E CB -0.044 29.862 29.700 0.343 0.000 0.774 284 E HN 0.373 nan 8.360 nan 0.000 0.506 285 V N -1.883 118.157 119.914 0.210 0.000 3.649 285 V HA 0.445 4.565 4.120 -0.000 0.000 0.275 285 V C 0.934 177.142 176.094 0.190 0.000 1.281 285 V CA -0.054 62.351 62.300 0.175 0.000 1.143 285 V CB -0.205 31.662 31.823 0.074 0.000 0.892 285 V HN 0.311 nan 8.190 nan 0.000 0.441 286 A N 0.527 123.470 122.820 0.207 0.000 2.388 286 A HA 0.664 4.984 4.320 -0.000 0.000 0.257 286 A C -0.142 177.557 177.584 0.193 0.000 1.095 286 A CA -0.155 52.006 52.037 0.206 0.000 0.791 286 A CB 0.845 19.971 19.000 0.209 0.000 1.029 286 A HN 0.659 nan 8.150 nan 0.000 0.489 287 V N 3.433 123.460 119.914 0.189 0.000 2.305 287 V HA 0.310 4.430 4.120 -0.000 0.000 0.275 287 V C 0.511 176.824 176.094 0.365 0.000 1.020 287 V CA -0.173 62.234 62.300 0.179 0.000 0.811 287 V CB 0.795 32.580 31.823 -0.063 0.000 1.031 287 V HN 1.051 nan 8.190 nan 0.000 0.439 288 T N 2.520 117.252 114.554 0.296 0.000 2.897 288 T HA 0.754 5.104 4.350 -0.000 0.000 0.294 288 T C -0.561 174.359 174.700 0.366 0.000 1.004 288 T CA -0.261 61.984 62.100 0.241 0.000 1.106 288 T CB 1.036 69.938 68.868 0.055 0.000 0.949 288 T HN 0.607 nan 8.240 nan 0.000 0.520 289 F N 0.966 120.881 119.950 -0.059 0.000 2.715 289 F HA 0.719 5.246 4.527 -0.000 0.000 0.318 289 F C 0.419 176.042 175.800 -0.296 0.000 1.141 289 F CA -1.138 56.815 58.000 -0.079 0.000 0.950 289 F CB 0.871 39.859 39.000 -0.019 0.000 1.374 289 F HN 0.404 nan 8.300 nan 0.000 0.477 290 V N -1.733 117.956 119.914 -0.375 0.000 2.908 290 V HA 0.464 4.584 4.120 -0.000 0.000 0.240 290 V C -0.490 175.364 176.094 -0.399 0.000 1.117 290 V CA 1.145 63.073 62.300 -0.621 0.000 1.133 290 V CB 0.372 31.697 31.823 -0.829 0.000 0.857 290 V HN 0.784 nan 8.190 nan 0.000 0.478 291 D N 0.181 120.585 120.400 0.006 0.000 2.623 291 D HA 0.340 4.980 4.640 -0.000 0.000 0.241 291 D C -1.136 175.063 176.300 -0.168 0.000 1.241 291 D CA -0.084 53.908 54.000 -0.013 0.000 0.788 291 D CB 2.058 42.816 40.800 -0.070 0.000 1.413 291 D HN 0.703 nan 8.370 nan 0.000 0.429 292 N N -1.053 117.420 118.700 -0.378 0.000 3.091 292 N HA 0.179 4.919 4.740 -0.000 0.000 0.329 292 N C 1.140 176.306 175.510 -0.572 0.000 1.430 292 N CA -0.521 52.230 53.050 -0.498 0.000 0.755 292 N CB 1.385 39.704 38.487 -0.280 0.000 1.626 292 N HN 0.412 nan 8.380 nan 0.000 0.614 293 H N -0.770 118.199 119.070 -0.168 0.000 2.456 293 H HA -0.018 4.538 4.556 -0.000 0.000 0.296 293 H C 0.109 175.431 175.328 -0.010 0.000 1.079 293 H CA 1.310 57.431 56.048 0.121 0.000 1.322 293 H CB -0.214 29.770 29.762 0.371 0.000 1.388 293 H HN 0.539 nan 8.280 nan 0.000 0.538 294 D N 0.826 120.844 120.400 -0.636 0.000 2.214 294 D HA -0.092 4.548 4.640 -0.000 0.000 0.217 294 D C 2.387 178.605 176.300 -0.137 0.000 0.973 294 D CA 2.370 56.153 54.000 -0.362 0.000 0.880 294 D CB -0.224 40.534 40.800 -0.071 0.000 1.031 294 D HN 0.561 nan 8.370 nan 0.000 0.468 295 T N -0.876 113.662 114.554 -0.028 0.000 2.857 295 T HA 0.054 4.404 4.350 -0.000 0.000 0.266 295 T C 1.260 175.952 174.700 -0.012 0.000 1.048 295 T CA 1.046 63.204 62.100 0.097 0.000 1.139 295 T CB -0.233 68.695 68.868 0.100 0.000 0.874 295 T HN 0.058 nan 8.240 nan 0.000 0.455 296 G N -0.704 108.023 108.800 -0.121 0.000 2.583 296 G HA2 0.562 4.522 3.960 -0.000 0.000 0.280 296 G HA3 0.562 4.522 3.960 -0.000 0.000 0.280 296 G C -1.128 173.807 174.900 0.058 0.000 1.376 296 G CA -1.065 44.020 45.100 -0.025 0.000 1.043 296 G HN 0.345 nan 8.290 nan 0.000 0.538 297 Y N -0.963 119.529 120.300 0.320 0.000 2.392 297 Y HA 0.581 5.131 4.550 -0.000 0.000 0.323 297 Y C 0.790 177.066 175.900 0.626 0.000 1.291 297 Y CA -0.028 58.324 58.100 0.420 0.000 1.345 297 Y CB 2.002 40.617 38.460 0.259 0.000 1.320 297 Y HN 0.365 nan 8.280 nan 0.000 0.518 298 S N 1.356 117.464 115.700 0.679 0.000 2.546 298 S HA 0.460 4.930 4.470 -0.000 0.000 0.274 298 S C -2.859 171.934 174.600 0.321 0.000 1.121 298 S CA -1.399 57.062 58.200 0.435 0.000 0.887 298 S CB 2.051 65.502 63.200 0.417 0.000 1.094 298 S HN 0.256 nan 8.310 nan 0.000 0.474 299 P HA 0.450 nan 4.420 nan 0.000 0.271 299 P C 0.849 178.203 177.300 0.089 0.000 1.233 299 P CA 0.696 63.865 63.100 0.116 0.000 0.789 299 P CB 0.157 31.844 31.700 -0.021 0.000 0.951 300 G N 0.249 109.132 108.800 0.139 0.000 2.545 300 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.240 300 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.240 300 G C -0.322 174.671 174.900 0.155 0.000 1.172 300 G CA -0.192 44.990 45.100 0.136 0.000 0.949 300 G HN 0.667 nan 8.290 nan 0.000 0.574 301 Q N 1.759 121.652 119.800 0.154 0.000 2.318 301 Q HA 0.378 4.718 4.340 -0.000 0.000 0.270 301 Q C 0.979 177.101 176.000 0.203 0.000 1.237 301 Q CA 1.627 57.522 55.803 0.153 0.000 0.937 301 Q CB -1.548 27.266 28.738 0.128 0.000 1.375 301 Q HN 0.685 nan 8.270 nan 0.000 0.452 302 N N 2.730 121.545 118.700 0.192 0.000 2.753 302 N HA -0.282 4.458 4.740 -0.000 0.000 0.251 302 N C 0.491 176.204 175.510 0.339 0.000 1.097 302 N CA 0.122 53.311 53.050 0.232 0.000 0.786 302 N CB -1.091 37.526 38.487 0.216 0.000 1.137 302 N HN 0.900 nan 8.380 nan 0.000 0.566 303 G N -1.287 107.725 108.800 0.354 0.000 2.162 303 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.260 303 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.260 303 G C 0.930 176.156 174.900 0.543 0.000 0.976 303 G CA 0.792 46.207 45.100 0.525 0.000 0.655 303 G HN 1.501 nan 8.290 nan 0.000 0.533 304 G N -0.890 108.136 108.800 0.376 0.000 2.498 304 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.251 304 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.251 304 G C 0.671 175.479 174.900 -0.152 0.000 1.170 304 G CA 1.086 46.358 45.100 0.287 0.000 0.944 304 G HN 0.980 nan 8.290 nan 0.000 0.567 305 Q N 0.335 119.844 119.800 -0.485 0.000 2.226 305 Q HA 0.106 4.446 4.340 -0.000 0.000 0.199 305 Q C 1.049 176.298 176.000 -1.251 0.000 0.945 305 Q CA 0.992 56.215 55.803 -0.968 0.000 0.861 305 Q CB 0.015 28.033 28.738 -1.200 0.000 0.953 305 Q HN 1.148 nan 8.270 nan 0.000 0.490 306 H N -0.829 117.936 119.070 -0.508 0.000 2.133 306 H HA -0.186 4.370 4.556 -0.000 0.000 0.319 306 H C 0.022 175.181 175.328 -0.282 0.000 0.911 306 H CA 0.762 56.491 56.048 -0.533 0.000 1.058 306 H CB -1.722 27.311 29.762 -1.216 0.000 1.594 306 H HN 0.311 nan 8.280 nan 0.000 0.331 307 H N -0.597 118.447 119.070 -0.044 0.000 2.482 307 H HA 0.017 4.573 4.556 -0.000 0.000 0.286 307 H C 0.361 175.872 175.328 0.304 0.000 1.017 307 H CA 1.342 57.447 56.048 0.095 0.000 1.322 307 H CB 0.281 30.143 29.762 0.166 0.000 1.426 307 H HN 0.743 nan 8.280 nan 0.000 0.546 308 W N 0.943 122.358 121.300 0.192 0.000 0.969 308 W HA 0.543 5.203 4.660 -0.000 0.000 0.317 308 W C -0.881 175.650 176.519 0.020 0.000 0.875 308 W CA -1.569 55.851 57.345 0.124 0.000 1.411 308 W CB -0.324 29.228 29.460 0.153 0.000 1.457 308 W HN -0.054 nan 8.180 nan 0.000 0.491 309 A N 2.114 125.044 122.820 0.183 0.000 2.363 309 A HA 0.539 4.859 4.320 -0.000 0.000 0.270 309 A C -0.635 176.987 177.584 0.063 0.000 1.121 309 A CA -0.400 51.702 52.037 0.108 0.000 0.800 309 A CB 0.686 19.785 19.000 0.165 0.000 1.052 309 A HN 0.491 nan 8.150 nan 0.000 0.493 310 L N 2.704 123.928 121.223 0.001 0.000 2.331 310 L HA 0.303 4.643 4.340 -0.000 0.000 0.278 310 L C 0.860 177.745 176.870 0.026 0.000 1.106 310 L CA -0.074 54.732 54.840 -0.057 0.000 0.824 310 L CB 0.822 42.783 42.059 -0.163 0.000 1.142 310 L HN 0.833 nan 8.230 nan 0.000 0.443 311 Q N 2.193 122.004 119.800 0.019 0.000 2.315 311 Q HA 0.001 4.341 4.340 -0.000 0.000 0.289 311 Q C 0.389 176.394 176.000 0.007 0.000 1.044 311 Q CA 0.299 56.115 55.803 0.021 0.000 0.920 311 Q CB 0.410 29.158 28.738 0.016 0.000 1.214 311 Q HN 0.797 nan 8.270 nan 0.000 0.392 312 D N 3.493 123.890 120.400 -0.005 0.000 2.265 312 D HA -0.164 4.476 4.640 -0.000 0.000 0.208 312 D C 1.473 177.787 176.300 0.023 0.000 0.977 312 D CA 1.496 55.502 54.000 0.010 0.000 0.871 312 D CB -0.556 40.242 40.800 -0.003 0.000 0.925 312 D HN 0.758 nan 8.370 nan 0.000 0.485 313 G N -0.260 108.545 108.800 0.008 0.000 2.679 313 G HA2 0.009 3.969 3.960 -0.000 0.000 0.212 313 G HA3 0.009 3.969 3.960 -0.000 0.000 0.212 313 G C 1.458 176.363 174.900 0.010 0.000 1.137 313 G CA 0.160 45.264 45.100 0.006 0.000 0.787 313 G HN 0.386 nan 8.290 nan 0.000 0.534 314 L N 0.063 121.298 121.223 0.020 0.000 2.858 314 L HA 0.372 4.712 4.340 -0.000 0.000 0.251 314 L C 2.038 178.929 176.870 0.035 0.000 1.149 314 L CA -0.221 54.655 54.840 0.060 0.000 0.955 314 L CB 0.199 42.328 42.059 0.116 0.000 1.289 314 L HN 0.128 nan 8.230 nan 0.000 0.542 315 I N 0.064 120.607 120.570 -0.044 0.000 2.127 315 I HA -0.304 3.866 4.170 -0.000 0.000 0.241 315 I C 2.605 178.707 176.117 -0.025 0.000 1.075 315 I CA 1.511 62.717 61.300 -0.156 0.000 1.334 315 I CB -0.287 37.499 38.000 -0.357 0.000 1.040 315 I HN 0.317 nan 8.210 nan 0.000 0.405 316 R N 0.489 120.989 120.500 -0.001 0.000 2.091 316 R HA -0.223 4.117 4.340 -0.000 0.000 0.238 316 R C 2.368 178.818 176.300 0.250 0.000 1.136 316 R CA 1.637 57.766 56.100 0.048 0.000 0.959 316 R CB -0.318 29.780 30.300 -0.338 0.000 0.856 316 R HN 0.423 nan 8.270 nan 0.000 0.437 317 Q N -0.062 119.847 119.800 0.181 0.000 2.079 317 Q HA -0.069 4.271 4.340 -0.000 0.000 0.200 317 Q C 2.090 178.335 176.000 0.409 0.000 0.974 317 Q CA 1.735 57.699 55.803 0.269 0.000 0.840 317 Q CB -0.200 28.641 28.738 0.172 0.000 0.898 317 Q HN 0.356 nan 8.270 nan 0.000 0.430 318 A N -0.276 122.694 122.820 0.251 0.000 1.877 318 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 318 A C 1.735 179.246 177.584 -0.121 0.000 1.186 318 A CA 1.423 53.405 52.037 -0.092 0.000 0.620 318 A CB -0.921 17.839 19.000 -0.400 0.000 0.822 318 A HN 0.402 nan 8.150 nan 0.000 0.443 319 Y N -0.131 120.203 120.300 0.056 0.000 2.181 319 Y HA -0.067 4.483 4.550 -0.000 0.000 0.288 319 Y C 2.930 178.884 175.900 0.090 0.000 1.146 319 Y CA 0.836 58.967 58.100 0.053 0.000 1.164 319 Y CB -0.652 37.853 38.460 0.075 0.000 0.982 319 Y HN 0.323 nan 8.280 nan 0.000 0.515 320 A N -1.199 121.838 122.820 0.362 0.000 2.019 320 A HA -0.252 4.068 4.320 -0.000 0.000 0.219 320 A C 2.005 179.731 177.584 0.236 0.000 1.164 320 A CA 1.798 53.994 52.037 0.265 0.000 0.644 320 A CB -1.058 18.170 19.000 0.381 0.000 0.805 320 A HN 0.607 nan 8.150 nan 0.000 0.449 321 Y N 0.628 121.023 120.300 0.159 0.000 2.347 321 Y HA 0.059 4.609 4.550 -0.000 0.000 0.294 321 Y C 1.939 177.886 175.900 0.077 0.000 1.117 321 Y CA 0.986 59.176 58.100 0.151 0.000 1.184 321 Y CB -0.134 38.494 38.460 0.281 0.000 1.047 321 Y HN 0.374 nan 8.280 nan 0.000 0.546 322 I N -2.627 117.862 120.570 -0.135 0.000 2.617 322 I HA -0.093 4.077 4.170 -0.000 0.000 0.256 322 I C 1.376 177.417 176.117 -0.126 0.000 1.167 322 I CA 1.004 62.168 61.300 -0.226 0.000 1.469 322 I CB -0.413 37.508 38.000 -0.132 0.000 1.098 322 I HN 0.102 nan 8.210 nan 0.000 0.436 323 L N 1.851 123.049 121.223 -0.042 0.000 2.217 323 L HA -0.025 4.315 4.340 -0.000 0.000 0.211 323 L C 2.547 179.377 176.870 -0.067 0.000 1.107 323 L CA 2.189 57.012 54.840 -0.028 0.000 0.783 323 L CB -1.154 40.900 42.059 -0.009 0.000 0.919 323 L HN 0.570 nan 8.230 nan 0.000 0.442 324 T N -5.124 109.379 114.554 -0.084 0.000 3.040 324 T HA 0.165 4.515 4.350 -0.000 0.000 0.250 324 T C 0.844 175.474 174.700 -0.117 0.000 1.058 324 T CA 0.316 62.375 62.100 -0.069 0.000 0.988 324 T CB -0.055 68.809 68.868 -0.006 0.000 0.993 324 T HN 0.258 nan 8.240 nan 0.000 0.519 325 S N 1.025 116.588 115.700 -0.229 0.000 2.739 325 S HA 0.773 5.242 4.470 -0.000 0.000 0.306 325 S C -3.029 171.491 174.600 -0.133 0.000 1.115 325 S CA -1.682 56.371 58.200 -0.245 0.000 0.985 325 S CB 1.503 64.349 63.200 -0.590 0.000 1.133 325 S HN -0.000 nan 8.310 nan 0.000 0.541 326 P HA 0.474 nan 4.420 nan 0.000 0.280 326 P C 0.746 178.065 177.300 0.032 0.000 1.278 326 P CA 0.924 64.029 63.100 0.009 0.000 0.787 326 P CB -0.487 31.246 31.700 0.054 0.000 1.163 327 G N -1.485 107.367 108.800 0.087 0.000 2.760 327 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.246 327 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.246 327 G C -1.041 173.913 174.900 0.090 0.000 1.359 327 G CA -0.506 44.664 45.100 0.118 0.000 0.861 327 G HN 0.612 nan 8.290 nan 0.000 0.541 328 T N 3.795 118.418 114.554 0.115 0.000 2.809 328 T HA 0.653 5.003 4.350 -0.000 0.000 0.296 328 T C -2.312 172.458 174.700 0.117 0.000 1.015 328 T CA -0.554 61.601 62.100 0.092 0.000 0.954 328 T CB 2.307 71.249 68.868 0.122 0.000 0.950 328 T HN 0.635 nan 8.240 nan 0.000 0.450 329 P HA 0.414 nan 4.420 nan 0.000 0.278 329 P C -0.931 176.507 177.300 0.229 0.000 1.238 329 P CA -0.462 62.729 63.100 0.152 0.000 0.794 329 P CB 1.088 32.849 31.700 0.102 0.000 0.955 330 V N 3.473 123.579 119.914 0.320 0.000 2.495 330 V HA 0.294 4.414 4.120 -0.000 0.000 0.298 330 V C 0.310 176.663 176.094 0.431 0.000 1.031 330 V CA -0.797 61.741 62.300 0.397 0.000 0.871 330 V CB 2.151 34.303 31.823 0.548 0.000 0.988 330 V HN 0.274 nan 8.190 nan 0.000 0.432 331 V N 4.405 124.557 119.914 0.396 0.000 2.435 331 V HA 0.339 4.459 4.120 -0.000 0.000 0.290 331 V C -0.653 175.654 176.094 0.354 0.000 1.030 331 V CA -0.768 61.799 62.300 0.445 0.000 0.881 331 V CB 1.557 33.604 31.823 0.372 0.000 0.983 331 V HN 0.747 nan 8.190 nan 0.000 0.445 332 Y N 4.317 124.840 120.300 0.371 0.000 2.377 332 Y HA 0.087 4.637 4.550 -0.000 0.000 0.330 332 Y C 0.915 176.866 175.900 0.085 0.000 1.108 332 Y CA -0.649 57.586 58.100 0.223 0.000 1.308 332 Y CB 0.665 39.313 38.460 0.312 0.000 1.216 332 Y HN 0.853 nan 8.280 nan 0.000 0.518 333 W N 5.249 126.264 121.300 -0.476 0.000 2.301 333 W HA -0.304 4.356 4.660 -0.000 0.000 0.325 333 W C 0.929 177.170 176.519 -0.465 0.000 1.250 333 W CA 2.578 59.692 57.345 -0.384 0.000 1.261 333 W CB -0.257 28.988 29.460 -0.358 0.000 1.157 333 W HN 0.678 nan 8.180 nan 0.000 0.473 334 D N -0.959 118.967 120.400 -0.791 0.000 2.149 334 D HA -0.200 4.440 4.640 -0.000 0.000 0.198 334 D C 1.981 177.818 176.300 -0.771 0.000 0.990 334 D CA 1.580 54.941 54.000 -1.064 0.000 0.839 334 D CB -0.897 38.808 40.800 -1.825 0.000 0.948 334 D HN 0.342 nan 8.370 nan 0.000 0.460 335 H N -0.398 118.532 119.070 -0.233 0.000 2.353 335 H HA -0.078 4.478 4.556 -0.000 0.000 0.300 335 H C 2.114 177.429 175.328 -0.021 0.000 1.090 335 H CA 1.092 57.258 56.048 0.196 0.000 1.327 335 H CB -0.297 29.602 29.762 0.228 0.000 1.383 335 H HN 0.164 nan 8.280 nan 0.000 0.508 336 M N 0.285 119.752 119.600 -0.221 0.000 2.064 336 M HA -0.171 4.309 4.480 -0.000 0.000 0.260 336 M C 1.098 176.919 176.300 -0.798 0.000 1.073 336 M CA 1.818 56.761 55.300 -0.594 0.000 1.124 336 M CB -0.159 31.914 32.600 -0.877 0.000 1.326 336 M HN 0.118 nan 8.290 nan 0.000 0.410 337 Y N -1.135 118.837 120.300 -0.546 0.000 2.481 337 Y HA 0.259 4.809 4.550 -0.000 0.000 0.247 337 Y C 1.361 177.062 175.900 -0.330 0.000 1.151 337 Y CA -0.404 57.387 58.100 -0.516 0.000 1.238 337 Y CB 0.011 37.924 38.460 -0.911 0.000 1.179 337 Y HN 0.265 nan 8.280 nan 0.000 0.524 338 D N -1.574 118.683 120.400 -0.239 0.000 2.856 338 D HA -0.036 4.604 4.640 -0.000 0.000 0.283 338 D C 1.242 177.556 176.300 0.022 0.000 1.051 338 D CA 0.638 54.531 54.000 -0.179 0.000 0.965 338 D CB -0.155 40.353 40.800 -0.487 0.000 1.201 338 D HN 0.216 nan 8.370 nan 0.000 0.474 339 W N 1.325 122.663 121.300 0.064 0.000 3.180 339 W HA 0.330 4.990 4.660 -0.000 0.000 0.254 339 W C 1.127 177.566 176.519 -0.133 0.000 1.318 339 W CA 0.561 57.940 57.345 0.057 0.000 1.608 339 W CB -0.697 28.934 29.460 0.285 0.000 1.124 339 W HN 0.136 nan 8.180 nan 0.000 0.694 340 G N -0.070 108.752 108.800 0.037 0.000 2.160 340 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.244 340 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.244 340 G C 0.258 175.048 174.900 -0.183 0.000 1.022 340 G CA 0.301 45.339 45.100 -0.103 0.000 0.741 340 G HN 0.387 nan 8.290 nan 0.000 0.508 341 Y N 0.177 120.524 120.300 0.079 0.000 2.466 341 Y HA 0.299 4.849 4.550 -0.000 0.000 0.272 341 Y C 2.686 178.585 175.900 -0.002 0.000 1.169 341 Y CA 0.658 58.804 58.100 0.078 0.000 1.285 341 Y CB -0.026 38.503 38.460 0.115 0.000 1.078 341 Y HN 0.268 nan 8.280 nan 0.000 0.523 342 G N 0.787 109.595 108.800 0.013 0.000 2.574 342 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.220 342 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.220 342 G C 1.257 176.124 174.900 -0.055 0.000 1.173 342 G CA 1.841 46.881 45.100 -0.101 0.000 0.772 342 G HN 0.273 nan 8.290 nan 0.000 0.585 343 D N -0.418 119.983 120.400 0.002 0.000 2.144 343 D HA -0.071 4.569 4.640 -0.000 0.000 0.199 343 D C 1.949 178.273 176.300 0.040 0.000 0.984 343 D CA 0.512 54.518 54.000 0.011 0.000 0.834 343 D CB -0.355 40.458 40.800 0.022 0.000 0.955 343 D HN 0.319 nan 8.370 nan 0.000 0.465 344 F N 1.117 121.045 119.950 -0.037 0.000 2.146 344 F HA -0.042 4.485 4.527 -0.000 0.000 0.298 344 F C 1.974 177.744 175.800 -0.050 0.000 1.096 344 F CA 1.032 59.021 58.000 -0.019 0.000 1.275 344 F CB -0.229 38.796 39.000 0.043 0.000 1.008 344 F HN -0.126 nan 8.300 nan 0.000 0.480 345 I N -0.105 120.340 120.570 -0.209 0.000 2.493 345 I HA -0.209 3.961 4.170 -0.000 0.000 0.254 345 I C 2.508 178.441 176.117 -0.307 0.000 1.160 345 I CA 0.895 61.984 61.300 -0.351 0.000 1.445 345 I CB -0.495 37.311 38.000 -0.324 0.000 1.086 345 I HN 0.073 nan 8.210 nan 0.000 0.433 346 R N 0.562 120.924 120.500 -0.229 0.000 2.075 346 R HA -0.154 4.186 4.340 -0.000 0.000 0.232 346 R C 2.360 178.535 176.300 -0.208 0.000 1.126 346 R CA 1.334 57.307 56.100 -0.212 0.000 0.963 346 R CB -0.192 30.023 30.300 -0.141 0.000 0.858 346 R HN 0.461 nan 8.270 nan 0.000 0.435 347 Q N 0.377 120.056 119.800 -0.201 0.000 2.061 347 Q HA -0.188 4.152 4.340 -0.000 0.000 0.204 347 Q C 2.221 178.089 176.000 -0.220 0.000 0.984 347 Q CA 1.468 57.161 55.803 -0.183 0.000 0.846 347 Q CB -0.182 28.463 28.738 -0.155 0.000 0.902 347 Q HN 0.350 nan 8.270 nan 0.000 0.421 348 L N 0.238 121.268 121.223 -0.322 0.000 2.093 348 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 348 L C 2.319 179.069 176.870 -0.199 0.000 1.085 348 L CA 0.798 55.470 54.840 -0.281 0.000 0.755 348 L CB -0.337 41.492 42.059 -0.383 0.000 0.904 348 L HN 0.274 nan 8.230 nan 0.000 0.435 349 I N -0.536 119.900 120.570 -0.223 0.000 2.286 349 I HA -0.298 3.872 4.170 -0.000 0.000 0.248 349 I C 2.510 178.528 176.117 -0.166 0.000 1.115 349 I CA 1.299 62.473 61.300 -0.210 0.000 1.392 349 I CB -0.226 37.586 38.000 -0.314 0.000 1.065 349 I HN 0.378 nan 8.210 nan 0.000 0.418 350 Q N 0.032 119.739 119.800 -0.156 0.000 2.046 350 Q HA -0.144 4.196 4.340 -0.000 0.000 0.200 350 Q C 2.408 178.355 176.000 -0.089 0.000 0.975 350 Q CA 1.320 57.053 55.803 -0.116 0.000 0.836 350 Q CB -0.184 28.492 28.738 -0.103 0.000 0.896 350 Q HN 0.308 nan 8.270 nan 0.000 0.428 351 V N 0.971 120.829 119.914 -0.092 0.000 2.295 351 V HA -0.306 3.814 4.120 -0.000 0.000 0.246 351 V C 2.375 178.435 176.094 -0.056 0.000 1.049 351 V CA 2.101 64.362 62.300 -0.065 0.000 1.024 351 V CB -0.529 31.250 31.823 -0.072 0.000 0.648 351 V HN 0.323 nan 8.190 nan 0.000 0.447 352 R N -0.303 120.154 120.500 -0.072 0.000 2.083 352 R HA -0.207 4.133 4.340 -0.000 0.000 0.237 352 R C 2.504 178.773 176.300 -0.053 0.000 1.137 352 R CA 1.978 58.042 56.100 -0.060 0.000 0.951 352 R CB -0.226 30.031 30.300 -0.072 0.000 0.851 352 R HN 0.374 nan 8.270 nan 0.000 0.434 353 R N -0.484 119.976 120.500 -0.065 0.000 2.075 353 R HA -0.050 4.290 4.340 -0.000 0.000 0.232 353 R C 2.244 178.518 176.300 -0.045 0.000 1.126 353 R CA 1.500 57.565 56.100 -0.059 0.000 0.963 353 R CB -0.213 30.043 30.300 -0.074 0.000 0.858 353 R HN 0.314 nan 8.270 nan 0.000 0.435 354 A N 0.200 122.994 122.820 -0.043 0.000 1.969 354 A HA -0.022 4.298 4.320 -0.000 0.000 0.218 354 A C 2.083 179.654 177.584 -0.021 0.000 1.169 354 A CA 1.560 53.579 52.037 -0.031 0.000 0.635 354 A CB -0.352 18.631 19.000 -0.029 0.000 0.810 354 A HN 0.412 nan 8.150 nan 0.000 0.445 355 A N -1.571 121.239 122.820 -0.017 0.000 2.218 355 A HA 0.427 4.747 4.320 -0.000 0.000 0.209 355 A C 1.631 179.210 177.584 -0.009 0.000 1.168 355 A CA 1.048 53.082 52.037 -0.005 0.000 0.804 355 A CB -0.873 18.133 19.000 0.011 0.000 0.834 355 A HN 1.873 nan 8.150 nan 0.000 0.482 356 G N -0.238 108.551 108.800 -0.019 0.000 2.314 356 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.292 356 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.292 356 G C -0.026 174.863 174.900 -0.018 0.000 1.059 356 G CA 0.187 45.274 45.100 -0.021 0.000 0.982 356 G HN 0.761 nan 8.290 nan 0.000 0.505 357 V N 1.981 121.882 119.914 -0.022 0.000 2.583 357 V HA 0.709 4.829 4.120 -0.000 0.000 0.287 357 V C 0.910 176.987 176.094 -0.029 0.000 1.051 357 V CA 0.236 62.524 62.300 -0.020 0.000 1.010 357 V CB 1.200 33.009 31.823 -0.023 0.000 0.988 357 V HN 0.875 nan 8.190 nan 0.000 0.478 358 R N 4.266 124.752 120.500 -0.023 0.000 2.885 358 R HA 0.721 5.061 4.340 -0.000 0.000 0.260 358 R C 0.943 177.234 176.300 -0.015 0.000 1.107 358 R CA -0.085 55.992 56.100 -0.037 0.000 0.978 358 R CB 1.353 31.619 30.300 -0.057 0.000 1.227 358 R HN 0.524 nan 8.270 nan 0.000 0.473 359 A N 0.558 123.362 122.820 -0.028 0.000 1.971 359 A HA -0.275 4.044 4.320 -0.000 0.000 0.222 359 A C 1.143 178.791 177.584 0.107 0.000 1.182 359 A CA 2.388 54.451 52.037 0.044 0.000 0.649 359 A CB -0.896 18.135 19.000 0.052 0.000 0.818 359 A HN 0.851 nan 8.150 nan 0.000 0.458 360 D N -1.242 119.219 120.400 0.102 0.000 2.395 360 D HA 0.151 4.791 4.640 -0.000 0.000 0.213 360 D C 0.144 176.494 176.300 0.083 0.000 1.110 360 D CA 0.274 54.350 54.000 0.126 0.000 0.835 360 D CB -0.650 40.251 40.800 0.169 0.000 0.965 360 D HN 0.194 nan 8.370 nan 0.000 0.505 361 S N 0.509 116.239 115.700 0.051 0.000 2.563 361 S HA 0.436 4.906 4.470 -0.000 0.000 0.284 361 S C 0.573 175.195 174.600 0.036 0.000 1.331 361 S CA -0.246 57.974 58.200 0.034 0.000 1.047 361 S CB 0.881 64.090 63.200 0.015 0.000 0.859 361 S HN 0.515 nan 8.310 nan 0.000 0.514 362 A N 2.188 125.025 122.820 0.028 0.000 2.322 362 A HA 0.720 5.040 4.320 -0.000 0.000 0.269 362 A C -0.174 177.397 177.584 -0.021 0.000 1.094 362 A CA -0.482 51.566 52.037 0.018 0.000 0.807 362 A CB 0.129 19.142 19.000 0.021 0.000 1.047 362 A HN 0.846 nan 8.150 nan 0.000 0.487 363 I N 0.645 121.176 120.570 -0.064 0.000 2.680 363 I HA 0.415 4.585 4.170 -0.000 0.000 0.291 363 I C -0.898 175.044 176.117 -0.292 0.000 1.244 363 I CA -0.065 61.116 61.300 -0.198 0.000 1.042 363 I CB 2.071 39.933 38.000 -0.229 0.000 1.277 363 I HN 0.612 nan 8.210 nan 0.000 0.423 364 S N 6.381 121.857 115.700 -0.374 0.000 2.513 364 S HA 0.678 5.148 4.470 -0.000 0.000 0.299 364 S C -1.011 173.216 174.600 -0.623 0.000 1.087 364 S CA -0.479 57.501 58.200 -0.367 0.000 1.012 364 S CB 1.503 64.568 63.200 -0.225 0.000 1.044 364 S HN 0.372 nan 8.310 nan 0.000 0.485 365 F N 1.106 120.891 119.950 -0.274 0.000 2.469 365 F HA 0.424 4.951 4.527 -0.000 0.000 0.332 365 F C 0.344 175.875 175.800 -0.447 0.000 1.103 365 F CA -0.677 57.180 58.000 -0.239 0.000 0.979 365 F CB 1.159 40.089 39.000 -0.116 0.000 1.137 365 F HN 0.577 nan 8.300 nan 0.000 0.463 366 H N 0.511 119.708 119.070 0.213 0.000 2.638 366 H HA 0.250 4.806 4.556 -0.000 0.000 0.303 366 H C 0.820 176.255 175.328 0.178 0.000 1.034 366 H CA -0.415 55.733 56.048 0.167 0.000 1.225 366 H CB 1.298 31.142 29.762 0.136 0.000 1.394 366 H HN 0.627 nan 8.280 nan 0.000 0.477 367 S N 2.309 118.125 115.700 0.193 0.000 2.380 367 S HA -0.212 4.258 4.470 -0.000 0.000 0.229 367 S C 2.279 176.909 174.600 0.049 0.000 1.043 367 S CA 1.355 59.614 58.200 0.098 0.000 1.038 367 S CB -0.259 62.981 63.200 0.066 0.000 0.872 367 S HN 0.841 nan 8.310 nan 0.000 0.456 368 G N -0.451 108.363 108.800 0.025 0.000 3.026 368 G HA2 0.324 4.283 3.960 -0.000 0.000 0.208 368 G HA3 0.324 4.283 3.960 -0.000 0.000 0.208 368 G C -0.073 174.478 174.900 -0.582 0.000 1.169 368 G CA -0.049 44.899 45.100 -0.253 0.000 0.788 368 G HN 0.415 nan 8.290 nan 0.000 0.533 369 Y N -0.235 120.075 120.300 0.017 0.000 2.659 369 Y HA 0.519 5.069 4.550 -0.000 0.000 0.333 369 Y C 0.766 176.660 175.900 -0.009 0.000 1.064 369 Y CA -1.067 57.033 58.100 0.001 0.000 1.141 369 Y CB 1.406 39.871 38.460 0.007 0.000 1.316 369 Y HN 0.041 nan 8.280 nan 0.000 0.509 370 S N -0.030 115.749 115.700 0.132 0.000 2.645 370 S HA 0.714 5.184 4.470 -0.000 0.000 0.266 370 S C 0.454 175.071 174.600 0.028 0.000 1.258 370 S CA -0.084 58.141 58.200 0.041 0.000 0.990 370 S CB 0.917 64.125 63.200 0.014 0.000 0.967 370 S HN 1.533 nan 8.310 nan 0.000 0.556 371 G N 0.263 109.033 108.800 -0.050 0.000 2.645 371 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.246 371 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.246 371 G C -0.759 174.075 174.900 -0.110 0.000 1.322 371 G CA -0.122 44.906 45.100 -0.120 0.000 0.898 371 G HN 1.050 nan 8.290 nan 0.000 0.573 372 L N 0.431 121.563 121.223 -0.151 0.000 2.307 372 L HA 0.772 5.112 4.340 -0.000 0.000 0.282 372 L C 0.170 177.076 176.870 0.059 0.000 1.051 372 L CA -0.474 54.322 54.840 -0.074 0.000 0.804 372 L CB 1.082 43.023 42.059 -0.197 0.000 1.197 372 L HN 1.419 nan 8.230 nan 0.000 0.431 373 V N 4.728 124.738 119.914 0.161 0.000 2.569 373 V HA 0.880 5.000 4.120 -0.000 0.000 0.301 373 V C -0.877 175.374 176.094 0.262 0.000 1.044 373 V CA -0.131 62.275 62.300 0.175 0.000 0.874 373 V CB 1.579 33.463 31.823 0.102 0.000 1.002 373 V HN 0.989 nan 8.190 nan 0.000 0.424 374 A N 3.928 126.873 122.820 0.209 0.000 2.435 374 A HA 0.893 5.213 4.320 -0.000 0.000 0.304 374 A C -0.176 177.475 177.584 0.111 0.000 1.064 374 A CA -0.638 51.455 52.037 0.093 0.000 0.727 374 A CB 2.160 21.112 19.000 -0.080 0.000 1.284 374 A HN 0.928 nan 8.150 nan 0.000 0.415 375 T N 1.848 116.457 114.554 0.091 0.000 2.801 375 T HA 0.489 4.839 4.350 -0.000 0.000 0.306 375 T C -0.556 174.152 174.700 0.013 0.000 1.020 375 T CA -0.169 61.992 62.100 0.102 0.000 0.948 375 T CB 0.483 69.479 68.868 0.213 0.000 0.962 375 T HN 0.459 nan 8.240 nan 0.000 0.465 376 V N 3.408 123.340 119.914 0.030 0.000 2.370 376 V HA 0.320 4.440 4.120 -0.000 0.000 0.283 376 V C 0.439 176.558 176.094 0.041 0.000 1.023 376 V CA -0.768 61.536 62.300 0.007 0.000 0.857 376 V CB 1.619 33.442 31.823 0.001 0.000 0.985 376 V HN 0.859 nan 8.190 nan 0.000 0.443 377 S N 4.231 119.948 115.700 0.028 0.000 2.955 377 S HA 0.390 4.860 4.470 -0.000 0.000 0.294 377 S C 0.793 175.408 174.600 0.024 0.000 1.198 377 S CA -0.331 57.890 58.200 0.035 0.000 1.008 377 S CB 0.452 63.671 63.200 0.030 0.000 1.279 377 S HN 0.999 nan 8.310 nan 0.000 0.508 378 G N 1.551 110.367 108.800 0.026 0.000 2.636 378 G HA2 0.229 4.189 3.960 -0.000 0.000 0.246 378 G HA3 0.229 4.189 3.960 -0.000 0.000 0.246 378 G C 0.999 175.905 174.900 0.010 0.000 1.216 378 G CA -0.297 44.811 45.100 0.014 0.000 0.854 378 G HN 0.643 nan 8.290 nan 0.000 0.572 379 S N -0.579 115.123 115.700 0.003 0.000 2.522 379 S HA -0.037 4.433 4.470 -0.000 0.000 0.227 379 S C 1.456 176.055 174.600 -0.003 0.000 0.986 379 S CA 1.105 59.306 58.200 0.001 0.000 0.929 379 S CB 0.057 63.257 63.200 -0.001 0.000 0.769 379 S HN 0.578 nan 8.310 nan 0.000 0.529 380 Q N -0.223 119.574 119.800 -0.006 0.000 2.404 380 Q HA 0.389 4.729 4.340 -0.000 0.000 0.262 380 Q C 0.104 176.096 176.000 -0.013 0.000 0.846 380 Q CA 0.403 56.200 55.803 -0.011 0.000 0.978 380 Q CB 0.710 29.440 28.738 -0.013 0.000 1.156 380 Q HN 0.634 nan 8.270 nan 0.000 0.548 381 Q N -0.202 119.596 119.800 -0.003 0.000 2.462 381 Q HA 0.453 4.793 4.340 -0.000 0.000 0.285 381 Q C -1.226 174.792 176.000 0.029 0.000 1.035 381 Q CA -0.347 55.456 55.803 -0.000 0.000 0.799 381 Q CB 2.474 31.218 28.738 0.011 0.000 1.452 381 Q HN -0.141 nan 8.270 nan 0.000 0.404 382 T N 1.361 115.942 114.554 0.046 0.000 2.875 382 T HA 0.529 4.879 4.350 -0.000 0.000 0.284 382 T C -1.019 173.822 174.700 0.235 0.000 0.995 382 T CA -0.442 61.733 62.100 0.126 0.000 1.060 382 T CB 0.561 69.521 68.868 0.154 0.000 0.967 382 T HN 0.142 nan 8.240 nan 0.000 0.476 383 L N 3.328 124.676 121.223 0.208 0.000 2.342 383 L HA 0.667 5.007 4.340 -0.000 0.000 0.271 383 L C -0.712 176.278 176.870 0.200 0.000 1.008 383 L CA -0.684 54.290 54.840 0.223 0.000 0.818 383 L CB 2.074 44.208 42.059 0.125 0.000 1.296 383 L HN 0.397 nan 8.230 nan 0.000 0.427 384 V N 3.836 123.869 119.914 0.198 0.000 2.444 384 V HA 0.540 4.660 4.120 -0.000 0.000 0.294 384 V C -0.574 175.678 176.094 0.264 0.000 1.022 384 V CA -0.753 61.606 62.300 0.098 0.000 0.850 384 V CB 1.956 33.633 31.823 -0.244 0.000 0.992 384 V HN 0.415 nan 8.190 nan 0.000 0.426 385 V N 4.116 124.152 119.914 0.203 0.000 2.384 385 V HA 0.798 4.918 4.120 -0.000 0.000 0.287 385 V C 0.269 176.484 176.094 0.202 0.000 1.020 385 V CA -0.429 61.990 62.300 0.199 0.000 0.850 385 V CB 1.657 33.602 31.823 0.203 0.000 0.987 385 V HN 0.963 nan 8.190 nan 0.000 0.436 386 A N 6.819 129.752 122.820 0.188 0.000 2.363 386 A HA 0.815 5.135 4.320 -0.000 0.000 0.296 386 A C -0.845 176.778 177.584 0.065 0.000 1.237 386 A CA -0.420 51.707 52.037 0.150 0.000 0.773 386 A CB 0.495 19.651 19.000 0.261 0.000 1.153 386 A HN 0.796 nan 8.150 nan 0.000 0.473 387 L N 2.265 123.505 121.223 0.029 0.000 2.272 387 L HA 0.388 4.728 4.340 -0.000 0.000 0.289 387 L C 0.379 177.201 176.870 -0.080 0.000 1.032 387 L CA -0.634 54.187 54.840 -0.030 0.000 0.810 387 L CB 0.774 42.804 42.059 -0.049 0.000 1.205 387 L HN 0.897 nan 8.230 nan 0.000 0.422 388 N N 1.572 120.234 118.700 -0.064 0.000 2.705 388 N HA -0.206 4.534 4.740 -0.000 0.000 0.255 388 N C -0.319 175.163 175.510 -0.047 0.000 1.008 388 N CA 0.729 53.736 53.050 -0.071 0.000 0.742 388 N CB -0.397 38.012 38.487 -0.129 0.000 0.906 388 N HN 0.758 nan 8.380 nan 0.000 0.541 389 S N -0.611 115.087 115.700 -0.004 0.000 2.667 389 S HA 0.444 4.914 4.470 -0.000 0.000 0.292 389 S C 0.483 175.116 174.600 0.055 0.000 1.126 389 S CA -0.502 57.717 58.200 0.032 0.000 0.881 389 S CB 2.020 65.254 63.200 0.057 0.000 1.132 389 S HN 0.168 nan 8.310 nan 0.000 0.492 390 D N 0.651 121.108 120.400 0.096 0.000 2.339 390 D HA 0.081 4.721 4.640 -0.000 0.000 0.217 390 D C 0.842 177.215 176.300 0.121 0.000 1.050 390 D CA -0.340 53.727 54.000 0.112 0.000 0.856 390 D CB -0.617 40.251 40.800 0.113 0.000 0.922 390 D HN 0.406 nan 8.370 nan 0.000 0.518 391 L N 1.291 122.533 121.223 0.031 0.000 2.653 391 L HA 0.198 4.538 4.340 -0.000 0.000 0.288 391 L C 1.410 178.215 176.870 -0.109 0.000 1.243 391 L CA 0.680 55.354 54.840 -0.277 0.000 0.906 391 L CB 0.650 42.496 42.059 -0.355 0.000 1.154 391 L HN 0.070 nan 8.230 nan 0.000 0.498 392 G N 4.767 113.486 108.800 -0.135 0.000 2.441 392 G HA2 0.001 3.961 3.960 -0.000 0.000 0.212 392 G HA3 0.001 3.961 3.960 -0.000 0.000 0.212 392 G C 0.285 175.107 174.900 -0.130 0.000 1.164 392 G CA 0.493 45.554 45.100 -0.065 0.000 0.811 392 G HN 0.822 nan 8.290 nan 0.000 0.535 393 N N -0.586 117.930 118.700 -0.306 0.000 2.494 393 N HA 0.255 4.995 4.740 -0.000 0.000 0.270 393 N C -2.676 172.340 175.510 -0.823 0.000 1.285 393 N CA -1.489 51.268 53.050 -0.489 0.000 0.812 393 N CB 2.402 40.708 38.487 -0.302 0.000 1.557 393 N HN -0.203 nan 8.380 nan 0.000 0.487 394 P HA -0.063 nan 4.420 nan 0.000 0.217 394 P C 1.441 178.242 177.300 -0.833 0.000 1.150 394 P CA 1.583 63.867 63.100 -1.361 0.000 0.832 394 P CB -0.250 30.358 31.700 -1.821 0.000 0.787 395 G N 0.165 108.659 108.800 -0.510 0.000 2.535 395 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.218 395 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.218 395 G C 1.482 176.240 174.900 -0.236 0.000 1.122 395 G CA 0.281 45.229 45.100 -0.254 0.000 0.769 395 G HN 0.364 nan 8.290 nan 0.000 0.549 396 Q N -0.995 118.618 119.800 -0.311 0.000 2.378 396 Q HA 0.162 4.502 4.340 -0.000 0.000 0.205 396 Q C 1.935 177.798 176.000 -0.229 0.000 0.954 396 Q CA 0.463 56.136 55.803 -0.215 0.000 0.901 396 Q CB 0.354 28.969 28.738 -0.205 0.000 0.981 396 Q HN 0.404 nan 8.270 nan 0.000 0.483 397 V N -1.169 118.519 119.914 -0.377 0.000 3.485 397 V HA 0.389 4.509 4.120 -0.000 0.000 0.280 397 V C -0.495 175.342 176.094 -0.428 0.000 1.495 397 V CA 0.373 62.379 62.300 -0.489 0.000 1.018 397 V CB 1.419 32.829 31.823 -0.689 0.000 0.818 397 V HN 0.155 nan 8.190 nan 0.000 0.436 398 A N -0.458 122.188 122.820 -0.289 0.000 2.520 398 A HA 0.723 5.043 4.320 -0.000 0.000 0.298 398 A C -0.377 177.267 177.584 0.100 0.000 1.051 398 A CA -0.136 51.856 52.037 -0.074 0.000 0.690 398 A CB 1.796 20.763 19.000 -0.055 0.000 1.281 398 A HN 0.092 nan 8.150 nan 0.000 0.402 399 S N 0.707 116.478 115.700 0.118 0.000 2.580 399 S HA 0.673 5.143 4.470 -0.000 0.000 0.274 399 S C 0.527 175.207 174.600 0.134 0.000 1.329 399 S CA 1.095 59.356 58.200 0.102 0.000 1.036 399 S CB 0.488 63.716 63.200 0.047 0.000 0.919 399 S HN 2.658 nan 8.310 nan 0.000 0.515 400 G N 2.305 111.131 108.800 0.044 0.000 2.381 400 G HA2 0.030 3.990 3.960 -0.000 0.000 0.672 400 G HA3 0.030 3.990 3.960 -0.000 0.000 0.672 400 G C -0.875 173.892 174.900 -0.221 0.000 1.324 400 G CA -0.640 44.363 45.100 -0.161 0.000 0.975 400 G HN 0.847 nan 8.290 nan 0.000 0.593 401 S N 0.046 115.539 115.700 -0.345 0.000 2.452 401 S HA 0.756 5.226 4.470 -0.000 0.000 0.284 401 S C -0.712 173.644 174.600 -0.407 0.000 1.171 401 S CA -0.127 57.934 58.200 -0.230 0.000 1.064 401 S CB 0.203 63.318 63.200 -0.142 0.000 0.967 401 S HN 0.480 nan 8.310 nan 0.000 0.484 402 F N 1.343 121.282 119.950 -0.019 0.000 2.546 402 F HA 0.535 5.061 4.527 -0.000 0.000 0.320 402 F C 0.483 176.339 175.800 0.093 0.000 1.076 402 F CA -0.621 57.395 58.000 0.027 0.000 0.928 402 F CB 2.060 41.023 39.000 -0.062 0.000 1.189 402 F HN 0.335 nan 8.300 nan 0.000 0.465 403 S N 0.796 116.713 115.700 0.362 0.000 2.526 403 S HA 0.318 4.788 4.470 -0.000 0.000 0.293 403 S C -0.914 173.903 174.600 0.363 0.000 1.092 403 S CA -1.068 57.302 58.200 0.284 0.000 0.980 403 S CB 1.842 65.132 63.200 0.150 0.000 1.048 403 S HN 0.450 nan 8.310 nan 0.000 0.483 404 E N 1.283 121.633 120.200 0.250 0.000 2.351 404 E HA 0.212 4.562 4.350 -0.000 0.000 0.266 404 E C 0.615 177.189 176.600 -0.043 0.000 1.031 404 E CA -0.133 56.268 56.400 0.002 0.000 0.911 404 E CB 1.117 30.793 29.700 -0.040 0.000 0.986 404 E HN 0.736 nan 8.360 nan 0.000 0.446 405 A N 4.008 126.754 122.820 -0.125 0.000 1.942 405 A HA 0.151 4.471 4.320 -0.000 0.000 0.209 405 A C 0.582 178.108 177.584 -0.096 0.000 1.214 405 A CA 0.364 52.361 52.037 -0.067 0.000 0.686 405 A CB 0.816 19.802 19.000 -0.024 0.000 0.871 405 A HN 0.369 nan 8.150 nan 0.000 0.460 406 V N -0.096 119.726 119.914 -0.155 0.000 2.841 406 V HA 0.436 4.556 4.120 -0.000 0.000 0.310 406 V C -1.149 174.834 176.094 -0.186 0.000 1.090 406 V CA -0.734 61.504 62.300 -0.103 0.000 0.930 406 V CB 1.790 33.589 31.823 -0.040 0.000 1.014 406 V HN 0.514 nan 8.190 nan 0.000 0.425 407 N N 1.854 120.500 118.700 -0.089 0.000 2.701 407 N HA 0.683 5.423 4.740 -0.000 0.000 0.258 407 N C -0.797 174.688 175.510 -0.040 0.000 1.262 407 N CA -0.030 52.953 53.050 -0.113 0.000 0.780 407 N CB 1.097 39.511 38.487 -0.122 0.000 1.380 407 N HN 1.006 nan 8.380 nan 0.000 0.548 408 A N 1.049 123.851 122.820 -0.030 0.000 2.437 408 A HA 0.718 5.038 4.320 -0.000 0.000 0.292 408 A C 0.009 177.540 177.584 -0.089 0.000 1.173 408 A CA -0.436 51.566 52.037 -0.059 0.000 0.785 408 A CB 0.912 19.856 19.000 -0.093 0.000 1.351 408 A HN 0.942 nan 8.150 nan 0.000 0.431 409 S N 0.236 115.869 115.700 -0.113 0.000 3.231 409 S HA -0.247 4.223 4.470 -0.000 0.000 0.334 409 S C 0.084 174.647 174.600 -0.061 0.000 0.910 409 S CA 1.117 59.261 58.200 -0.093 0.000 1.342 409 S CB -2.234 60.904 63.200 -0.102 0.000 0.950 409 S HN 1.533 nan 8.310 nan 0.000 0.526 410 N N 0.216 118.886 118.700 -0.049 0.000 2.716 410 N HA -0.152 4.588 4.740 -0.000 0.000 0.250 410 N C 1.012 176.503 175.510 -0.031 0.000 1.033 410 N CA 1.318 54.347 53.050 -0.034 0.000 0.727 410 N CB -1.518 36.952 38.487 -0.029 0.000 0.950 410 N HN 1.879 nan 8.380 nan 0.000 0.541 411 G N -1.170 107.607 108.800 -0.039 0.000 2.179 411 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.260 411 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.260 411 G C 0.710 175.588 174.900 -0.037 0.000 0.977 411 G CA 0.617 45.695 45.100 -0.037 0.000 0.641 411 G HN 0.556 nan 8.290 nan 0.000 0.533 412 Q N -0.814 118.961 119.800 -0.041 0.000 2.224 412 Q HA 0.169 4.509 4.340 -0.000 0.000 0.203 412 Q C 0.737 176.718 176.000 -0.031 0.000 0.970 412 Q CA 1.349 57.129 55.803 -0.038 0.000 0.865 412 Q CB 0.394 29.105 28.738 -0.046 0.000 0.922 412 Q HN 0.499 nan 8.270 nan 0.000 0.445 413 V N 1.563 121.456 119.914 -0.035 0.000 2.376 413 V HA 0.364 4.484 4.120 -0.000 0.000 0.287 413 V C -0.510 175.536 176.094 -0.080 0.000 1.015 413 V CA -0.552 61.749 62.300 0.002 0.000 0.834 413 V CB 1.526 33.402 31.823 0.087 0.000 1.001 413 V HN 0.116 nan 8.190 nan 0.000 0.428 414 R N 3.331 123.727 120.500 -0.174 0.000 2.532 414 R HA 0.835 5.175 4.340 -0.000 0.000 0.297 414 R C -1.676 174.310 176.300 -0.522 0.000 0.984 414 R CA -0.605 55.192 56.100 -0.506 0.000 0.884 414 R CB 2.681 32.528 30.300 -0.755 0.000 1.182 414 R HN 0.498 nan 8.270 nan 0.000 0.442 415 V N 3.166 122.726 119.914 -0.590 0.000 2.686 415 V HA 0.532 4.652 4.120 -0.000 0.000 0.306 415 V C -0.736 175.160 176.094 -0.329 0.000 1.065 415 V CA -0.876 61.268 62.300 -0.260 0.000 0.894 415 V CB 2.091 33.861 31.823 -0.088 0.000 1.004 415 V HN 0.648 nan 8.190 nan 0.000 0.424 416 W N 2.663 123.977 121.300 0.023 0.000 2.882 416 W HA 0.717 5.377 4.660 -0.000 0.000 0.345 416 W C 0.349 176.991 176.519 0.206 0.000 1.125 416 W CA -1.013 56.383 57.345 0.084 0.000 1.167 416 W CB 1.671 31.134 29.460 0.006 0.000 1.431 416 W HN 0.627 nan 8.180 nan 0.000 0.543 417 R N 2.413 123.229 120.500 0.526 0.000 2.318 417 R HA -0.155 4.185 4.340 -0.000 0.000 0.352 417 R C 0.173 176.571 176.300 0.164 0.000 1.046 417 R CA 0.582 56.888 56.100 0.343 0.000 0.745 417 R CB -1.060 29.410 30.300 0.284 0.000 2.292 417 R HN 0.659 nan 8.270 nan 0.000 0.475 418 S N 0.000 115.770 115.700 0.117 0.000 2.498 418 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 418 S CA 0.000 58.234 58.200 0.057 0.000 1.107 418 S CB 0.000 63.221 63.200 0.035 0.000 0.593 418 S HN 0.000 nan 8.310 nan 0.000 0.517