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 3n7u_1_B DATA FIRST_RESID 28 DATA SEQUENCE DSKKIVGVFY KANEYATKNP NFLGCVENAL GIRDWLESQG HQYIVTDDKE DATA SEQUENCE GPDCELEKHI PDLHVLISTP FHPAYVTAER IKKAKNLKLL LTAGIGSDHI DATA SEQUENCE DLQAAAAAGL TVAEVTGSNV VSVAEDELMR ILILMRNFVP GYNQVVKGEW DATA SEQUENCE NVAGIAYRAY DLEGKTIGTV GAGRIGKLLL QRLKPFGCNL LYHDRLQMAP DATA SEQUENCE ELEKETGAKF VEDLNEMLPK CDVIVINMPL TEKTRGMFNK ELIGKLKKGV DATA SEQUENCE LIVNNARGAI MERQAVVDAV ESGHIGGYSG DVWDPQPAPK DHPWRYMPNQ DATA SEQUENCE AMTPHTSGTT IDAQLRYAAG TKDMLERYFK GEDFPTENYI VKDGELAPQY DATA SEQUENCE R 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 28 D HA 0.000 nan 4.640 nan 0.000 0.175 28 D C 0.000 176.252 176.300 -0.081 0.000 2.045 28 D CA 0.000 53.960 54.000 -0.067 0.000 0.868 28 D CB 0.000 40.763 40.800 -0.061 0.000 0.688 29 S N -0.065 115.581 115.700 -0.090 0.000 2.489 29 S HA 0.759 5.229 4.470 -0.000 0.000 0.291 29 S C -0.107 174.496 174.600 0.005 0.000 1.151 29 S CA -0.670 57.495 58.200 -0.058 0.000 1.082 29 S CB 2.412 65.521 63.200 -0.152 0.000 1.019 29 S HN 0.100 nan 8.310 nan 0.000 0.492 30 K N 1.695 122.226 120.400 0.219 0.000 2.208 30 K HA 0.394 4.714 4.320 -0.000 0.000 0.247 30 K C -0.637 176.063 176.600 0.166 0.000 0.953 30 K CA -0.751 55.492 56.287 -0.073 0.000 0.837 30 K CB 1.878 34.347 32.500 -0.051 0.000 1.131 30 K HN 0.716 nan 8.250 nan 0.000 0.431 31 K N 3.321 123.950 120.400 0.381 0.000 2.284 31 K HA 0.263 4.583 4.320 -0.000 0.000 0.287 31 K C -0.520 176.256 176.600 0.295 0.000 1.081 31 K CA -0.212 56.281 56.287 0.343 0.000 0.910 31 K CB 0.170 32.866 32.500 0.327 0.000 1.088 31 K HN 0.497 nan 8.250 nan 0.000 0.478 32 I N 4.889 125.607 120.570 0.246 0.000 2.339 32 I HA 0.215 4.385 4.170 -0.000 0.000 0.290 32 I C -0.457 175.818 176.117 0.262 0.000 0.994 32 I CA -1.151 60.298 61.300 0.249 0.000 1.191 32 I CB 1.770 39.919 38.000 0.247 0.000 1.343 32 I HN 0.210 nan 8.210 nan 0.000 0.458 33 V N 5.020 125.024 119.914 0.151 0.000 2.459 33 V HA 0.636 4.756 4.120 -0.000 0.000 0.295 33 V C 0.482 176.567 176.094 -0.016 0.000 1.029 33 V CA -0.469 61.845 62.300 0.024 0.000 0.874 33 V CB 1.736 33.539 31.823 -0.033 0.000 0.985 33 V HN 0.906 nan 8.190 nan 0.000 0.438 34 G N 3.055 111.756 108.800 -0.165 0.000 2.416 34 G HA2 0.602 4.562 3.960 -0.000 0.000 0.324 34 G HA3 0.602 4.562 3.960 -0.000 0.000 0.324 34 G C -1.164 173.288 174.900 -0.747 0.000 1.194 34 G CA -0.449 44.365 45.100 -0.477 0.000 0.922 34 G HN 0.541 nan 8.290 nan 0.000 0.467 35 V N 2.803 122.156 119.914 -0.934 0.000 2.326 35 V HA 0.556 4.676 4.120 -0.000 0.000 0.281 35 V C -0.716 174.949 176.094 -0.715 0.000 1.015 35 V CA -0.415 61.518 62.300 -0.611 0.000 0.823 35 V CB -0.170 31.479 31.823 -0.290 0.000 1.009 35 V HN 0.607 nan 8.190 nan 0.000 0.436 36 F N 2.731 122.672 119.950 -0.016 0.000 2.654 36 F HA 0.670 5.197 4.527 0.000 0.000 0.334 36 F C -0.086 175.645 175.800 -0.115 0.000 1.078 36 F CA -1.406 56.539 58.000 -0.090 0.000 0.986 36 F CB 1.349 40.196 39.000 -0.255 0.000 1.362 36 F HN 0.516 nan 8.300 nan 0.000 0.498 37 Y N -0.058 120.315 120.300 0.122 0.000 2.304 37 Y HA 0.457 5.007 4.550 -0.000 0.000 0.327 37 Y C -0.221 175.607 175.900 -0.119 0.000 1.209 37 Y CA -1.465 56.509 58.100 -0.209 0.000 1.299 37 Y CB 0.313 38.724 38.460 -0.082 0.000 1.249 37 Y HN 0.428 nan 8.280 nan 0.000 0.519 38 K N 1.817 122.205 120.400 -0.019 0.000 2.234 38 K HA 0.587 4.907 4.320 -0.000 0.000 0.282 38 K C 0.152 176.810 176.600 0.097 0.000 1.039 38 K CA 0.038 56.321 56.287 -0.006 0.000 0.928 38 K CB 0.913 33.400 32.500 -0.022 0.000 1.039 38 K HN 0.965 nan 8.250 nan 0.000 0.470 39 A N 3.973 126.827 122.820 0.056 0.000 2.140 39 A HA 0.060 4.380 4.320 -0.000 0.000 0.209 39 A C 0.670 178.372 177.584 0.196 0.000 1.181 39 A CA 0.222 52.365 52.037 0.177 0.000 0.824 39 A CB -0.339 18.665 19.000 0.007 0.000 0.879 39 A HN 1.035 nan 8.150 nan 0.000 0.480 40 N N 0.469 119.208 118.700 0.065 0.000 1.150 40 N HA -0.278 4.462 4.740 -0.000 0.000 0.130 40 N C 1.226 176.724 175.510 -0.020 0.000 0.650 40 N CA 2.097 55.154 53.050 0.012 0.000 0.910 40 N CB -0.908 37.582 38.487 0.005 0.000 1.255 40 N HN 0.671 nan 8.380 nan 0.000 0.537 41 E N 1.008 121.137 120.200 -0.118 0.000 2.268 41 E HA -0.167 4.183 4.350 -0.000 0.000 0.195 41 E C 1.825 178.340 176.600 -0.141 0.000 0.995 41 E CA 1.453 57.748 56.400 -0.175 0.000 0.836 41 E CB -0.646 28.894 29.700 -0.267 0.000 0.763 41 E HN 0.802 nan 8.360 nan 0.000 0.491 42 Y N 1.485 121.853 120.300 0.113 0.000 2.352 42 Y HA -0.016 4.534 4.550 -0.000 0.000 0.292 42 Y C 2.838 178.932 175.900 0.324 0.000 1.136 42 Y CA 0.760 58.988 58.100 0.213 0.000 1.227 42 Y CB -0.404 38.230 38.460 0.290 0.000 0.991 42 Y HN 0.158 nan 8.280 nan 0.000 0.545 43 A N -0.551 122.430 122.820 0.269 0.000 1.917 43 A HA -0.280 4.040 4.320 -0.000 0.000 0.219 43 A C 2.281 179.972 177.584 0.179 0.000 1.182 43 A CA 2.469 54.547 52.037 0.068 0.000 0.633 43 A CB -1.203 17.733 19.000 -0.107 0.000 0.819 43 A HN 0.379 nan 8.150 nan 0.000 0.448 44 T N -1.329 113.305 114.554 0.133 0.000 3.088 44 T HA 0.037 4.387 4.350 -0.000 0.000 0.259 44 T C 1.596 176.368 174.700 0.119 0.000 1.122 44 T CA 0.965 63.122 62.100 0.096 0.000 1.095 44 T CB -0.320 68.574 68.868 0.044 0.000 0.930 44 T HN 0.541 nan 8.240 nan 0.000 0.508 45 K N 1.139 121.642 120.400 0.171 0.000 2.360 45 K HA 0.036 4.356 4.320 -0.000 0.000 0.201 45 K C 0.701 177.349 176.600 0.081 0.000 1.046 45 K CA 0.463 56.822 56.287 0.120 0.000 0.945 45 K CB 0.118 32.702 32.500 0.140 0.000 0.750 45 K HN 0.184 nan 8.250 nan 0.000 0.464 46 N N -0.443 118.326 118.700 0.115 0.000 2.397 46 N HA 0.107 4.847 4.740 -0.000 0.000 0.291 46 N C -2.405 173.160 175.510 0.091 0.000 1.065 46 N CA -1.625 51.461 53.050 0.059 0.000 0.884 46 N CB 1.967 40.444 38.487 -0.017 0.000 1.551 46 N HN -0.264 nan 8.380 nan 0.000 0.487 47 P HA -0.023 nan 4.420 nan 0.000 0.222 47 P C 0.130 177.449 177.300 0.030 0.000 1.147 47 P CA 0.987 64.107 63.100 0.033 0.000 0.790 47 P CB 0.479 32.185 31.700 0.011 0.000 0.780 48 N N -0.732 117.984 118.700 0.027 0.000 2.295 48 N HA 0.057 4.797 4.740 -0.000 0.000 0.221 48 N C -0.036 175.512 175.510 0.063 0.000 1.129 48 N CA -0.240 52.814 53.050 0.008 0.000 0.836 48 N CB -0.549 37.918 38.487 -0.034 0.000 1.040 48 N HN 0.264 nan 8.380 nan 0.000 0.494 49 F N 1.926 121.827 119.950 -0.081 0.000 2.662 49 F HA 0.123 4.650 4.527 -0.000 0.000 0.365 49 F C 0.930 176.657 175.800 -0.122 0.000 1.222 49 F CA -0.377 57.574 58.000 -0.081 0.000 1.315 49 F CB -0.069 38.913 39.000 -0.030 0.000 1.711 49 F HN 0.000 nan 8.300 nan 0.000 0.651 50 L N 2.114 123.354 121.223 0.027 0.000 2.418 50 L HA 0.003 4.343 4.340 -0.000 0.000 0.218 50 L C 2.491 179.180 176.870 -0.302 0.000 1.125 50 L CA 0.786 55.523 54.840 -0.171 0.000 0.835 50 L CB -0.480 41.465 42.059 -0.190 0.000 0.953 50 L HN 0.532 nan 8.230 nan 0.000 0.454 51 G N -0.161 108.520 108.800 -0.198 0.000 2.744 51 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.211 51 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.211 51 G C 0.756 175.204 174.900 -0.753 0.000 1.143 51 G CA 0.240 45.175 45.100 -0.276 0.000 0.788 51 G HN 0.487 nan 8.290 nan 0.000 0.534 52 C N -1.745 117.059 119.300 -0.828 0.000 2.403 52 C HA 0.588 5.048 4.460 -0.000 0.000 0.361 52 C C 1.959 176.645 174.990 -0.507 0.000 1.274 52 C CA -0.725 57.774 59.018 -0.865 0.000 2.433 52 C CB 1.124 28.314 27.740 -0.917 0.000 2.323 52 C HN 0.054 nan 8.230 nan 0.000 0.614 53 V N 1.770 121.530 119.914 -0.255 0.000 2.282 53 V HA -0.209 3.911 4.120 -0.000 0.000 0.249 53 V C 2.637 178.659 176.094 -0.119 0.000 1.057 53 V CA 2.719 64.985 62.300 -0.055 0.000 1.032 53 V CB -0.949 30.846 31.823 -0.045 0.000 0.645 53 V HN 0.957 nan 8.190 nan 0.000 0.447 54 E N 0.371 120.464 120.200 -0.180 0.000 2.077 54 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 54 E C 1.997 178.513 176.600 -0.140 0.000 0.989 54 E CA 1.374 57.688 56.400 -0.144 0.000 0.800 54 E CB -0.307 29.307 29.700 -0.142 0.000 0.746 54 E HN 0.578 nan 8.360 nan 0.000 0.452 55 N N -0.267 118.304 118.700 -0.214 0.000 2.405 55 N HA 0.125 4.865 4.740 -0.000 0.000 0.175 55 N C 0.024 175.446 175.510 -0.147 0.000 1.051 55 N CA 0.879 53.829 53.050 -0.167 0.000 0.899 55 N CB 0.366 38.734 38.487 -0.197 0.000 1.000 55 N HN 0.113 nan 8.380 nan 0.000 0.451 56 A N 1.280 123.951 122.820 -0.248 0.000 2.560 56 A HA -0.207 4.113 4.320 -0.000 0.000 0.299 56 A C 0.847 178.341 177.584 -0.149 0.000 1.484 56 A CA 0.852 52.749 52.037 -0.234 0.000 0.749 56 A CB -2.301 16.739 19.000 0.066 0.000 1.072 56 A HN 0.483 nan 8.150 nan 0.000 0.426 57 L N -3.577 117.446 121.223 -0.333 0.000 4.988 57 L HA -0.325 4.015 4.340 -0.000 0.000 0.439 57 L C 1.708 178.510 176.870 -0.113 0.000 1.080 57 L CA 0.935 55.652 54.840 -0.206 0.000 1.018 57 L CB -1.961 40.020 42.059 -0.130 0.000 1.945 57 L HN 2.463 nan 8.230 nan 0.000 0.782 58 G N 0.525 109.288 108.800 -0.061 0.000 2.143 58 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.248 58 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.248 58 G C 0.508 175.415 174.900 0.013 0.000 0.991 58 G CA 0.566 45.649 45.100 -0.029 0.000 0.689 58 G HN 0.891 nan 8.290 nan 0.000 0.522 59 I N -2.555 118.052 120.570 0.062 0.000 4.018 59 I HA 0.423 4.593 4.170 -0.000 0.000 0.337 59 I C 1.986 178.205 176.117 0.170 0.000 1.327 59 I CA 0.447 61.792 61.300 0.076 0.000 1.100 59 I CB -0.015 37.965 38.000 -0.035 0.000 1.025 59 I HN 0.136 nan 8.210 nan 0.000 0.396 60 R N 1.879 122.526 120.500 0.244 0.000 2.083 60 R HA -0.183 4.157 4.340 -0.000 0.000 0.237 60 R C 1.538 177.967 176.300 0.215 0.000 1.137 60 R CA 2.552 58.844 56.100 0.320 0.000 0.951 60 R CB -0.172 30.351 30.300 0.371 0.000 0.851 60 R HN 0.339 nan 8.270 nan 0.000 0.434 61 D N -0.438 120.072 120.400 0.184 0.000 2.097 61 D HA -0.197 4.443 4.640 -0.000 0.000 0.195 61 D C 1.391 177.790 176.300 0.164 0.000 0.989 61 D CA 1.165 55.251 54.000 0.143 0.000 0.827 61 D CB -0.590 40.282 40.800 0.120 0.000 0.966 61 D HN 0.367 nan 8.370 nan 0.000 0.456 62 W N 1.567 122.881 121.300 0.023 0.000 2.318 62 W HA -0.189 4.471 4.660 -0.000 0.000 0.313 62 W C 2.070 178.617 176.519 0.046 0.000 1.221 62 W CA 1.469 58.830 57.345 0.028 0.000 1.266 62 W CB -0.443 29.031 29.460 0.024 0.000 1.150 62 W HN -0.062 nan 8.180 nan 0.000 0.496 63 L N -0.041 121.281 121.223 0.164 0.000 2.056 63 L HA -0.177 4.163 4.340 -0.000 0.000 0.207 63 L C 2.418 179.276 176.870 -0.021 0.000 1.078 63 L CA 1.694 56.550 54.840 0.028 0.000 0.749 63 L CB -0.824 41.274 42.059 0.065 0.000 0.901 63 L HN 0.041 nan 8.230 nan 0.000 0.433 64 E N -0.221 119.989 120.200 0.018 0.000 2.107 64 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 64 E C 2.247 178.788 176.600 -0.098 0.000 0.982 64 E CA 1.341 57.734 56.400 -0.012 0.000 0.809 64 E CB -0.036 29.690 29.700 0.044 0.000 0.756 64 E HN 0.476 nan 8.360 nan 0.000 0.459 65 S N 0.689 116.323 115.700 -0.110 0.000 2.440 65 S HA -0.207 4.263 4.470 -0.000 0.000 0.238 65 S C 1.685 176.138 174.600 -0.245 0.000 1.010 65 S CA 1.026 59.139 58.200 -0.146 0.000 0.972 65 S CB -0.102 63.026 63.200 -0.120 0.000 0.774 65 S HN 0.213 nan 8.310 nan 0.000 0.501 66 Q N 0.158 119.739 119.800 -0.365 0.000 2.220 66 Q HA 0.374 4.714 4.340 -0.000 0.000 0.205 66 Q C 1.187 176.779 176.000 -0.680 0.000 0.865 66 Q CA 0.207 55.694 55.803 -0.526 0.000 0.960 66 Q CB 0.396 28.735 28.738 -0.665 0.000 1.097 66 Q HN 0.763 nan 8.270 nan 0.000 0.493 67 G N 0.666 109.193 108.800 -0.455 0.000 2.179 67 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.260 67 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.260 67 G C 0.010 174.684 174.900 -0.377 0.000 0.977 67 G CA -0.093 44.771 45.100 -0.394 0.000 0.641 67 G HN 0.421 nan 8.290 nan 0.000 0.533 68 H N 0.226 119.196 119.070 -0.168 0.000 2.547 68 H HA 0.504 5.060 4.556 -0.000 0.000 0.362 68 H C 0.482 175.810 175.328 0.001 0.000 1.181 68 H CA 0.300 56.291 56.048 -0.096 0.000 1.376 68 H CB 0.910 30.604 29.762 -0.112 0.000 1.488 68 H HN 0.468 nan 8.280 nan 0.000 0.583 69 Q N 1.075 120.992 119.800 0.196 0.000 2.245 69 Q HA 0.205 4.545 4.340 -0.000 0.000 0.256 69 Q C -1.655 174.502 176.000 0.263 0.000 0.942 69 Q CA -0.754 55.157 55.803 0.179 0.000 0.896 69 Q CB 0.914 29.736 28.738 0.140 0.000 1.272 69 Q HN 0.551 nan 8.270 nan 0.000 0.442 70 Y N 5.508 125.853 120.300 0.075 0.000 2.402 70 Y HA 0.349 4.899 4.550 -0.000 0.000 0.325 70 Y C -1.386 174.523 175.900 0.015 0.000 1.009 70 Y CA -1.360 56.781 58.100 0.069 0.000 1.278 70 Y CB 0.771 39.298 38.460 0.111 0.000 1.105 70 Y HN 0.535 nan 8.280 nan 0.000 0.476 71 I N 7.459 127.986 120.570 -0.072 0.000 2.304 71 I HA 0.327 4.497 4.170 -0.000 0.000 0.291 71 I C -0.448 175.459 176.117 -0.350 0.000 1.018 71 I CA -0.685 60.462 61.300 -0.256 0.000 1.260 71 I CB 0.925 38.660 38.000 -0.442 0.000 1.390 71 I HN 0.220 nan 8.210 nan 0.000 0.475 72 V N 5.531 125.233 119.914 -0.354 0.000 2.495 72 V HA 0.649 4.769 4.120 -0.000 0.000 0.298 72 V C 0.106 176.089 176.094 -0.184 0.000 1.031 72 V CA -0.351 61.754 62.300 -0.325 0.000 0.871 72 V CB 2.113 33.723 31.823 -0.355 0.000 0.988 72 V HN 0.863 nan 8.190 nan 0.000 0.432 73 T N 1.273 115.730 114.554 -0.162 0.000 2.853 73 T HA 0.325 4.675 4.350 -0.000 0.000 0.311 73 T C -0.233 174.437 174.700 -0.050 0.000 1.307 73 T CA -0.179 61.872 62.100 -0.082 0.000 1.019 73 T CB 1.943 70.781 68.868 -0.048 0.000 1.264 73 T HN 0.891 nan 8.240 nan 0.000 0.497 74 D N 1.130 121.533 120.400 0.004 0.000 2.398 74 D HA 0.093 4.733 4.640 -0.000 0.000 0.210 74 D C 0.094 176.503 176.300 0.183 0.000 1.094 74 D CA -0.117 53.929 54.000 0.077 0.000 0.839 74 D CB 0.255 41.016 40.800 -0.065 0.000 0.963 74 D HN 0.425 nan 8.370 nan 0.000 0.506 75 D N 1.452 121.906 120.400 0.090 0.000 2.393 75 D HA 0.074 4.714 4.640 -0.000 0.000 0.232 75 D C 0.883 177.220 176.300 0.061 0.000 1.192 75 D CA -0.164 53.888 54.000 0.086 0.000 0.882 75 D CB 0.745 41.579 40.800 0.057 0.000 1.038 75 D HN 0.271 nan 8.370 nan 0.000 0.499 76 K N 1.865 122.298 120.400 0.055 0.000 2.440 76 K HA 0.198 4.518 4.320 -0.000 0.000 0.207 76 K C -0.225 176.384 176.600 0.015 0.000 1.112 76 K CA -0.382 55.907 56.287 0.003 0.000 1.036 76 K CB 0.623 33.072 32.500 -0.085 0.000 0.935 76 K HN 0.056 nan 8.250 nan 0.000 0.564 77 E N 1.850 122.071 120.200 0.034 0.000 2.156 77 E HA 0.387 4.737 4.350 -0.000 0.000 0.279 77 E C 0.314 176.937 176.600 0.039 0.000 0.965 77 E CA 0.130 56.558 56.400 0.046 0.000 0.789 77 E CB 1.536 31.267 29.700 0.052 0.000 1.098 77 E HN 0.459 nan 8.360 nan 0.000 0.397 78 G N 4.705 113.528 108.800 0.038 0.000 2.756 78 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.678 78 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.678 78 G C -1.801 173.111 174.900 0.020 0.000 1.349 78 G CA -0.445 44.671 45.100 0.026 0.000 0.847 78 G HN 0.401 nan 8.290 nan 0.000 0.548 79 P HA 0.032 nan 4.420 nan 0.000 0.219 79 P C 0.574 177.876 177.300 0.003 0.000 1.146 79 P CA 1.741 64.845 63.100 0.006 0.000 0.808 79 P CB 0.127 31.829 31.700 0.004 0.000 0.779 80 D N -0.885 119.519 120.400 0.006 0.000 2.395 80 D HA 0.051 4.691 4.640 -0.000 0.000 0.213 80 D C 0.786 177.090 176.300 0.007 0.000 1.110 80 D CA -0.017 53.985 54.000 0.003 0.000 0.835 80 D CB -0.094 40.709 40.800 0.005 0.000 0.965 80 D HN 0.277 nan 8.370 nan 0.000 0.505 81 C N -0.028 119.280 119.300 0.014 0.000 2.500 81 C HA 0.365 4.825 4.460 -0.000 0.000 0.367 81 C C 2.244 177.249 174.990 0.025 0.000 1.283 81 C CA -0.659 58.374 59.018 0.024 0.000 2.456 81 C CB 2.034 29.794 27.740 0.032 0.000 2.457 81 C HN 0.059 nan 8.230 nan 0.000 0.632 82 E N 0.254 120.480 120.200 0.044 0.000 2.118 82 E HA -0.191 4.159 4.350 -0.000 0.000 0.195 82 E C 1.658 178.340 176.600 0.137 0.000 0.992 82 E CA 1.669 58.116 56.400 0.079 0.000 0.804 82 E CB -0.338 29.417 29.700 0.092 0.000 0.741 82 E HN 0.749 nan 8.360 nan 0.000 0.458 83 L N 1.026 122.305 121.223 0.093 0.000 2.012 83 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 83 L C 2.160 179.076 176.870 0.075 0.000 1.073 83 L CA 2.349 57.244 54.840 0.092 0.000 0.748 83 L CB -0.802 41.274 42.059 0.029 0.000 0.891 83 L HN 0.143 nan 8.230 nan 0.000 0.431 84 E N -0.301 119.917 120.200 0.030 0.000 2.204 84 E HA -0.246 4.104 4.350 -0.000 0.000 0.195 84 E C 2.224 178.801 176.600 -0.039 0.000 0.990 84 E CA 1.169 57.571 56.400 0.003 0.000 0.821 84 E CB -0.181 29.519 29.700 0.001 0.000 0.750 84 E HN 0.485 nan 8.360 nan 0.000 0.477 85 K N -0.795 119.548 120.400 -0.096 0.000 2.147 85 K HA -0.137 4.183 4.320 -0.000 0.000 0.205 85 K C 1.260 177.641 176.600 -0.364 0.000 1.049 85 K CA 1.251 57.385 56.287 -0.256 0.000 0.936 85 K CB 0.009 32.280 32.500 -0.382 0.000 0.722 85 K HN 0.377 nan 8.250 nan 0.000 0.446 86 H N -0.869 118.199 119.070 -0.003 0.000 2.648 86 H HA 0.093 4.649 4.556 -0.000 0.000 0.265 86 H C 1.933 177.256 175.328 -0.009 0.000 0.961 86 H CA 0.170 56.217 56.048 -0.001 0.000 1.185 86 H CB 0.353 30.117 29.762 0.003 0.000 1.449 86 H HN 0.133 nan 8.280 nan 0.000 0.523 87 I N 1.659 122.267 120.570 0.063 0.000 2.151 87 I HA -0.214 3.956 4.170 -0.000 0.000 0.243 87 I C -0.563 175.558 176.117 0.007 0.000 1.080 87 I CA 1.410 62.728 61.300 0.030 0.000 1.339 87 I CB -0.918 37.093 38.000 0.018 0.000 1.039 87 I HN 0.154 nan 8.210 nan 0.000 0.409 88 P HA -0.157 nan 4.420 nan 0.000 0.218 88 P C 0.387 177.670 177.300 -0.029 0.000 1.148 88 P CA 1.618 64.708 63.100 -0.017 0.000 0.822 88 P CB -0.095 31.593 31.700 -0.020 0.000 0.784 89 D N -2.626 117.760 120.400 -0.024 0.000 2.520 89 D HA 0.051 4.691 4.640 -0.000 0.000 0.223 89 D C 0.402 176.614 176.300 -0.146 0.000 1.186 89 D CA -0.282 53.676 54.000 -0.069 0.000 0.821 89 D CB -1.159 39.633 40.800 -0.014 0.000 1.072 89 D HN 0.054 nan 8.370 nan 0.000 0.518 90 L N -1.005 120.179 121.223 -0.064 0.000 2.461 90 L HA 0.402 4.742 4.340 -0.000 0.000 0.272 90 L C 0.671 177.450 176.870 -0.152 0.000 1.197 90 L CA 0.248 55.069 54.840 -0.032 0.000 0.836 90 L CB 0.302 42.391 42.059 0.051 0.000 1.105 90 L HN -0.217 nan 8.230 nan 0.000 0.477 91 H N 0.847 119.976 119.070 0.100 0.000 2.476 91 H HA 0.436 4.992 4.556 -0.000 0.000 0.292 91 H C -0.362 175.016 175.328 0.083 0.000 1.019 91 H CA 0.550 56.667 56.048 0.115 0.000 1.330 91 H CB 0.687 30.548 29.762 0.165 0.000 1.451 91 H HN 0.389 nan 8.280 nan 0.000 0.535 92 V N 1.683 121.702 119.914 0.175 0.000 2.638 92 V HA 0.226 4.346 4.120 -0.000 0.000 0.306 92 V C -1.355 174.764 176.094 0.042 0.000 1.052 92 V CA -0.912 61.420 62.300 0.054 0.000 0.885 92 V CB 2.612 34.441 31.823 0.010 0.000 0.999 92 V HN 0.034 nan 8.190 nan 0.000 0.424 93 L N 6.515 127.739 121.223 0.002 0.000 2.316 93 L HA 0.650 4.990 4.340 -0.000 0.000 0.280 93 L C -0.572 176.283 176.870 -0.026 0.000 1.006 93 L CA 0.010 54.845 54.840 -0.009 0.000 0.836 93 L CB 1.128 43.177 42.059 -0.017 0.000 1.221 93 L HN 0.562 nan 8.230 nan 0.000 0.418 94 I N 4.736 125.292 120.570 -0.022 0.000 2.312 94 I HA 0.379 4.549 4.170 -0.000 0.000 0.291 94 I C 0.463 176.499 176.117 -0.134 0.000 1.031 94 I CA -0.134 61.160 61.300 -0.010 0.000 1.293 94 I CB 0.991 39.075 38.000 0.140 0.000 1.403 94 I HN 0.776 nan 8.210 nan 0.000 0.484 95 S N 3.674 119.336 115.700 -0.063 0.000 2.766 95 S HA 0.722 5.192 4.470 -0.000 0.000 0.307 95 S C -0.333 174.231 174.600 -0.060 0.000 1.121 95 S CA -0.684 57.446 58.200 -0.117 0.000 0.980 95 S CB 2.368 65.569 63.200 0.002 0.000 1.159 95 S HN 0.552 nan 8.310 nan 0.000 0.546 96 T N 0.751 115.213 114.554 -0.153 0.000 2.993 96 T HA 0.539 4.889 4.350 -0.000 0.000 0.312 96 T C -2.532 171.892 174.700 -0.460 0.000 1.115 96 T CA -1.470 60.539 62.100 -0.152 0.000 1.027 96 T CB 1.490 70.518 68.868 0.267 0.000 1.116 96 T HN 0.347 nan 8.240 nan 0.000 0.464 97 P HA 0.017 nan 4.420 nan 0.000 0.218 97 P C 0.963 177.889 177.300 -0.623 0.000 1.148 97 P CA 0.942 63.593 63.100 -0.749 0.000 0.822 97 P CB -0.054 31.236 31.700 -0.683 0.000 0.784 98 F N -2.616 117.228 119.950 -0.178 0.000 2.365 98 F HA -0.003 4.524 4.527 0.000 0.000 0.300 98 F C 1.251 177.132 175.800 0.135 0.000 1.090 98 F CA 0.953 58.858 58.000 -0.158 0.000 1.408 98 F CB -1.227 37.675 39.000 -0.164 0.000 1.060 98 F HN 0.040 nan 8.300 nan 0.000 0.534 99 H N 0.595 119.724 119.070 0.099 0.000 2.490 99 H HA 0.301 4.857 4.556 0.000 0.000 0.230 99 H C -2.924 172.302 175.328 -0.170 0.000 1.417 99 H CA -2.627 53.448 56.048 0.044 0.000 1.449 99 H CB 0.747 30.625 29.762 0.195 0.000 1.649 99 H HN -0.227 nan 8.280 nan 0.000 0.519 100 P HA 0.272 nan 4.420 nan 0.000 0.293 100 P C -0.342 176.485 177.300 -0.789 0.000 1.300 100 P CA -0.453 62.213 63.100 -0.723 0.000 0.792 100 P CB 1.432 32.635 31.700 -0.829 0.000 0.925 101 A N 4.692 127.220 122.820 -0.486 0.000 2.491 101 A HA 0.165 4.485 4.320 -0.000 0.000 0.261 101 A C -0.503 176.942 177.584 -0.232 0.000 1.101 101 A CA -0.020 51.833 52.037 -0.305 0.000 0.772 101 A CB -0.689 18.227 19.000 -0.139 0.000 1.043 101 A HN 0.439 nan 8.150 nan 0.000 0.501 102 Y N 2.353 122.664 120.300 0.019 0.000 2.504 102 Y HA 0.305 4.855 4.550 0.000 0.000 0.351 102 Y C 0.352 176.269 175.900 0.029 0.000 0.988 102 Y CA -0.319 57.810 58.100 0.047 0.000 1.239 102 Y CB 0.796 39.269 38.460 0.022 0.000 1.128 102 Y HN 0.347 nan 8.280 nan 0.000 0.525 103 V N 4.662 124.671 119.914 0.159 0.000 2.222 103 V HA 0.100 4.220 4.120 -0.000 0.000 0.253 103 V C 0.575 176.707 176.094 0.064 0.000 1.210 103 V CA -0.709 61.636 62.300 0.076 0.000 1.079 103 V CB -0.823 31.017 31.823 0.027 0.000 1.265 103 V HN 0.865 nan 8.190 nan 0.000 0.494 104 T N 1.233 115.829 114.554 0.070 0.000 2.766 104 T HA 0.435 4.785 4.350 -0.000 0.000 0.295 104 T C 1.564 176.278 174.700 0.024 0.000 1.024 104 T CA 0.150 62.278 62.100 0.045 0.000 1.018 104 T CB 1.464 70.356 68.868 0.040 0.000 1.002 104 T HN 0.492 nan 8.240 nan 0.000 0.532 105 A N -0.046 122.783 122.820 0.015 0.000 1.877 105 A HA -0.086 4.234 4.320 -0.000 0.000 0.216 105 A C 2.326 179.915 177.584 0.008 0.000 1.186 105 A CA 1.863 53.905 52.037 0.008 0.000 0.620 105 A CB -1.197 17.806 19.000 0.005 0.000 0.822 105 A HN 1.050 nan 8.150 nan 0.000 0.443 106 E N -0.271 119.935 120.200 0.009 0.000 2.085 106 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 106 E C 2.243 178.848 176.600 0.009 0.000 0.994 106 E CA 1.267 57.671 56.400 0.007 0.000 0.801 106 E CB -0.127 29.576 29.700 0.007 0.000 0.743 106 E HN 0.604 nan 8.360 nan 0.000 0.453 107 R N 0.028 120.537 120.500 0.015 0.000 2.075 107 R HA -0.077 4.263 4.340 -0.000 0.000 0.232 107 R C 2.545 178.851 176.300 0.010 0.000 1.126 107 R CA 1.418 57.527 56.100 0.015 0.000 0.963 107 R CB -0.253 30.062 30.300 0.024 0.000 0.858 107 R HN 0.295 nan 8.270 nan 0.000 0.435 108 I N 0.861 121.437 120.570 0.009 0.000 2.226 108 I HA -0.312 3.858 4.170 -0.000 0.000 0.245 108 I C 2.564 178.683 176.117 0.003 0.000 1.100 108 I CA 1.296 62.599 61.300 0.005 0.000 1.374 108 I CB -0.197 37.804 38.000 0.003 0.000 1.057 108 I HN 0.153 nan 8.210 nan 0.000 0.413 109 K N 1.291 121.694 120.400 0.004 0.000 2.057 109 K HA -0.196 4.124 4.320 -0.000 0.000 0.207 109 K C 1.928 178.529 176.600 0.001 0.000 1.049 109 K CA 1.480 57.769 56.287 0.002 0.000 0.931 109 K CB 0.049 32.550 32.500 0.003 0.000 0.714 109 K HN 0.221 nan 8.250 nan 0.000 0.440 110 K N -0.265 120.135 120.400 0.001 0.000 2.432 110 K HA 0.018 4.338 4.320 -0.000 0.000 0.196 110 K C 0.331 176.928 176.600 -0.005 0.000 1.038 110 K CA 0.394 56.680 56.287 -0.002 0.000 0.986 110 K CB 0.361 32.860 32.500 -0.002 0.000 0.782 110 K HN 0.067 nan 8.250 nan 0.000 0.485 111 A N 1.930 124.747 122.820 -0.005 0.000 3.015 111 A HA 0.111 4.431 4.320 -0.000 0.000 0.293 111 A C 0.666 178.241 177.584 -0.016 0.000 1.572 111 A CA -0.367 51.664 52.037 -0.010 0.000 1.274 111 A CB 0.068 19.065 19.000 -0.005 0.000 1.156 111 A HN -0.012 nan 8.150 nan 0.000 0.562 112 K N 0.760 121.147 120.400 -0.021 0.000 2.211 112 K HA -0.120 4.200 4.320 -0.000 0.000 0.204 112 K C 0.527 177.109 176.600 -0.029 0.000 1.047 112 K CA 1.248 57.524 56.287 -0.018 0.000 0.935 112 K CB 0.032 32.523 32.500 -0.015 0.000 0.728 112 K HN 0.567 nan 8.250 nan 0.000 0.452 113 N N 0.310 118.966 118.700 -0.074 0.000 2.282 113 N HA -0.004 4.736 4.740 -0.000 0.000 0.185 113 N C 0.084 175.551 175.510 -0.073 0.000 1.099 113 N CA -0.213 52.759 53.050 -0.131 0.000 0.878 113 N CB 0.046 38.292 38.487 -0.402 0.000 0.993 113 N HN 0.052 nan 8.380 nan 0.000 0.481 114 L N 1.945 123.146 121.223 -0.036 0.000 2.584 114 L HA 0.010 4.350 4.340 -0.000 0.000 0.272 114 L C 0.943 177.847 176.870 0.058 0.000 1.195 114 L CA 0.795 55.642 54.840 0.012 0.000 0.920 114 L CB 0.477 42.538 42.059 0.004 0.000 1.173 114 L HN -0.075 nan 8.230 nan 0.000 0.489 115 K N 4.665 125.127 120.400 0.104 0.000 2.399 115 K HA 0.283 4.603 4.320 -0.000 0.000 0.196 115 K C -0.605 176.034 176.600 0.066 0.000 1.117 115 K CA -0.024 56.337 56.287 0.123 0.000 0.965 115 K CB 0.568 33.214 32.500 0.243 0.000 0.983 115 K HN 0.489 nan 8.250 nan 0.000 0.531 116 L N 1.196 122.416 121.223 -0.005 0.000 2.438 116 L HA 0.430 4.770 4.340 -0.000 0.000 0.270 116 L C -1.682 175.143 176.870 -0.075 0.000 0.972 116 L CA -0.556 54.228 54.840 -0.093 0.000 0.831 116 L CB 1.642 43.472 42.059 -0.383 0.000 1.273 116 L HN -0.093 nan 8.230 nan 0.000 0.405 117 L N 6.297 127.493 121.223 -0.046 0.000 2.295 117 L HA 0.515 4.855 4.340 -0.000 0.000 0.281 117 L C -0.895 175.940 176.870 -0.058 0.000 1.018 117 L CA -0.321 54.490 54.840 -0.048 0.000 0.841 117 L CB 1.337 43.368 42.059 -0.046 0.000 1.218 117 L HN 0.519 nan 8.230 nan 0.000 0.424 118 L N 2.987 124.167 121.223 -0.071 0.000 2.295 118 L HA 0.465 4.805 4.340 -0.000 0.000 0.285 118 L C 0.099 176.946 176.870 -0.038 0.000 1.035 118 L CA -0.356 54.431 54.840 -0.088 0.000 0.806 118 L CB 1.753 43.732 42.059 -0.133 0.000 1.214 118 L HN 0.467 nan 8.230 nan 0.000 0.426 119 T N 2.640 117.168 114.554 -0.043 0.000 2.738 119 T HA 0.379 4.729 4.350 -0.000 0.000 0.298 119 T C 0.338 175.008 174.700 -0.050 0.000 0.962 119 T CA -0.424 61.670 62.100 -0.010 0.000 0.972 119 T CB 1.153 70.030 68.868 0.015 0.000 0.928 119 T HN 0.642 nan 8.240 nan 0.000 0.474 120 A N 3.622 126.420 122.820 -0.036 0.000 2.671 120 A HA 0.702 5.022 4.320 -0.000 0.000 0.306 120 A C 1.087 178.349 177.584 -0.536 0.000 1.473 120 A CA 0.261 52.239 52.037 -0.099 0.000 1.155 120 A CB -0.951 18.145 19.000 0.158 0.000 1.123 120 A HN 1.247 nan 8.150 nan 0.000 0.545 121 G N 0.652 109.196 108.800 -0.427 0.000 2.250 121 G HA2 0.168 4.128 3.960 -0.000 0.000 0.252 121 G HA3 0.168 4.128 3.960 -0.000 0.000 0.252 121 G C -1.046 173.791 174.900 -0.104 0.000 1.325 121 G CA -0.451 44.437 45.100 -0.354 0.000 1.091 121 G HN 0.814 nan 8.290 nan 0.000 0.476 122 I N 1.177 121.718 120.570 -0.049 0.000 2.533 122 I HA 0.629 4.799 4.170 -0.000 0.000 0.290 122 I C 0.384 176.536 176.117 0.059 0.000 1.056 122 I CA 0.136 61.455 61.300 0.032 0.000 1.057 122 I CB 1.968 40.013 38.000 0.075 0.000 1.240 122 I HN 2.136 nan 8.210 nan 0.000 0.423 123 G N 3.209 112.080 108.800 0.118 0.000 3.448 123 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.685 123 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.685 123 G C -0.286 174.723 174.900 0.181 0.000 1.151 123 G CA -0.631 44.588 45.100 0.198 0.000 1.023 123 G HN 0.559 nan 8.290 nan 0.000 0.499 124 S N 0.760 116.529 115.700 0.114 0.000 2.601 124 S HA 0.174 4.644 4.470 -0.000 0.000 0.244 124 S C 1.556 176.020 174.600 -0.226 0.000 1.001 124 S CA 0.489 58.604 58.200 -0.142 0.000 0.984 124 S CB 0.209 63.276 63.200 -0.222 0.000 0.842 124 S HN 0.898 nan 8.310 nan 0.000 0.474 125 D N 1.126 121.559 120.400 0.054 0.000 2.350 125 D HA -0.195 4.445 4.640 -0.000 0.000 0.216 125 D C 1.655 178.017 176.300 0.103 0.000 0.968 125 D CA 0.764 54.831 54.000 0.112 0.000 0.894 125 D CB -0.425 40.509 40.800 0.222 0.000 0.909 125 D HN 0.608 nan 8.370 nan 0.000 0.520 126 H N 0.299 119.439 119.070 0.116 0.000 2.545 126 H HA 0.017 4.573 4.556 -0.000 0.000 0.282 126 H C 0.459 175.870 175.328 0.140 0.000 1.020 126 H CA 0.095 56.248 56.048 0.176 0.000 1.243 126 H CB -0.276 29.486 29.762 -0.001 0.000 1.377 126 H HN 0.171 nan 8.280 nan 0.000 0.581 127 I N 2.748 123.150 120.570 -0.280 0.000 2.519 127 I HA -0.015 4.155 4.170 -0.000 0.000 0.287 127 I C 0.655 176.746 176.117 -0.044 0.000 1.047 127 I CA -0.823 60.384 61.300 -0.155 0.000 1.381 127 I CB 0.972 38.829 38.000 -0.239 0.000 1.417 127 I HN 0.063 nan 8.210 nan 0.000 0.540 128 D N 6.287 126.685 120.400 -0.004 0.000 2.385 128 D HA 0.049 4.689 4.640 -0.000 0.000 0.260 128 D C 1.091 177.378 176.300 -0.021 0.000 1.326 128 D CA 0.117 54.118 54.000 0.001 0.000 1.023 128 D CB 0.449 41.255 40.800 0.011 0.000 1.083 128 D HN 0.408 nan 8.370 nan 0.000 0.517 129 L N 2.658 123.863 121.223 -0.030 0.000 2.217 129 L HA -0.153 4.187 4.340 -0.000 0.000 0.211 129 L C 2.470 179.324 176.870 -0.026 0.000 1.107 129 L CA 0.701 55.511 54.840 -0.050 0.000 0.783 129 L CB -0.167 41.844 42.059 -0.080 0.000 0.919 129 L HN 0.385 nan 8.230 nan 0.000 0.442 130 Q N -0.070 119.726 119.800 -0.007 0.000 2.046 130 Q HA -0.168 4.172 4.340 -0.000 0.000 0.200 130 Q C 2.496 178.494 176.000 -0.003 0.000 0.975 130 Q CA 1.611 57.414 55.803 -0.000 0.000 0.836 130 Q CB -0.230 28.513 28.738 0.008 0.000 0.896 130 Q HN 0.566 nan 8.270 nan 0.000 0.428 131 A N 1.007 123.825 122.820 -0.003 0.000 1.969 131 A HA -0.069 4.251 4.320 -0.000 0.000 0.218 131 A C 2.262 179.842 177.584 -0.007 0.000 1.169 131 A CA 1.434 53.469 52.037 -0.003 0.000 0.635 131 A CB -0.610 18.390 19.000 -0.000 0.000 0.810 131 A HN 0.388 nan 8.150 nan 0.000 0.445 132 A N 0.104 122.915 122.820 -0.014 0.000 1.877 132 A HA 0.149 4.469 4.320 -0.000 0.000 0.216 132 A C 2.533 180.110 177.584 -0.012 0.000 1.186 132 A CA 2.123 54.150 52.037 -0.017 0.000 0.620 132 A CB -1.133 17.846 19.000 -0.034 0.000 0.822 132 A HN 1.054 nan 8.150 nan 0.000 0.443 133 A N -0.001 122.810 122.820 -0.015 0.000 1.892 133 A HA 0.060 4.380 4.320 -0.000 0.000 0.218 133 A C 2.540 180.120 177.584 -0.006 0.000 1.188 133 A CA 2.521 54.551 52.037 -0.012 0.000 0.631 133 A CB -1.203 17.791 19.000 -0.011 0.000 0.822 133 A HN 1.202 nan 8.150 nan 0.000 0.447 134 A N -0.547 122.271 122.820 -0.004 0.000 1.940 134 A HA 0.142 4.462 4.320 -0.000 0.000 0.219 134 A C 2.273 179.857 177.584 -0.000 0.000 1.176 134 A CA 2.107 54.143 52.037 -0.001 0.000 0.631 134 A CB -0.760 18.240 19.000 -0.000 0.000 0.814 134 A HN 1.212 nan 8.150 nan 0.000 0.446 135 A N -2.062 120.758 122.820 0.001 0.000 2.275 135 A HA 0.433 4.753 4.320 -0.000 0.000 0.212 135 A C 1.724 179.312 177.584 0.007 0.000 1.201 135 A CA 1.101 53.140 52.037 0.004 0.000 0.843 135 A CB -0.858 18.145 19.000 0.005 0.000 0.873 135 A HN 1.904 nan 8.150 nan 0.000 0.492 136 G N -0.724 108.078 108.800 0.004 0.000 2.143 136 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.248 136 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.248 136 G C 0.056 174.964 174.900 0.014 0.000 0.991 136 G CA 0.359 45.463 45.100 0.006 0.000 0.689 136 G HN 0.468 nan 8.290 nan 0.000 0.522 137 L N 0.917 122.147 121.223 0.012 0.000 2.397 137 L HA 0.429 4.769 4.340 -0.000 0.000 0.271 137 L C 0.945 177.831 176.870 0.026 0.000 1.148 137 L CA -0.388 54.464 54.840 0.021 0.000 0.825 137 L CB 0.902 42.966 42.059 0.010 0.000 1.117 137 L HN 0.090 nan 8.230 nan 0.000 0.456 138 T N 2.324 116.907 114.554 0.048 0.000 2.832 138 T HA 0.395 4.745 4.350 -0.000 0.000 0.296 138 T C -0.110 174.634 174.700 0.074 0.000 0.968 138 T CA -0.332 61.820 62.100 0.087 0.000 1.107 138 T CB 1.257 70.199 68.868 0.122 0.000 0.916 138 T HN 0.265 nan 8.240 nan 0.000 0.517 139 V N 2.523 122.487 119.914 0.084 0.000 2.443 139 V HA 0.784 4.904 4.120 -0.000 0.000 0.293 139 V C -0.070 176.048 176.094 0.041 0.000 1.021 139 V CA -0.830 61.480 62.300 0.017 0.000 0.848 139 V CB 1.177 32.965 31.823 -0.059 0.000 0.998 139 V HN 1.098 nan 8.190 nan 0.000 0.424 140 A N 4.568 127.391 122.820 0.004 0.000 2.469 140 A HA 1.037 5.357 4.320 -0.000 0.000 0.299 140 A C -0.664 176.858 177.584 -0.103 0.000 1.098 140 A CA -0.604 51.402 52.037 -0.052 0.000 0.737 140 A CB 2.100 21.061 19.000 -0.065 0.000 1.312 140 A HN 0.931 nan 8.150 nan 0.000 0.414 141 E N -0.627 119.510 120.200 -0.107 0.000 2.458 141 E HA 0.574 4.924 4.350 -0.000 0.000 0.278 141 E C -1.541 175.009 176.600 -0.083 0.000 1.004 141 E CA -0.996 55.355 56.400 -0.082 0.000 0.823 141 E CB 1.578 31.259 29.700 -0.032 0.000 1.396 141 E HN 0.278 nan 8.360 nan 0.000 0.463 142 V N 1.824 121.709 119.914 -0.050 0.000 2.096 142 V HA 0.131 4.251 4.120 -0.000 0.000 0.259 142 V C 0.009 176.113 176.094 0.016 0.000 1.420 142 V CA -0.425 61.861 62.300 -0.024 0.000 1.336 142 V CB -0.548 31.289 31.823 0.023 0.000 1.394 142 V HN 0.666 nan 8.190 nan 0.000 0.494 143 T N 2.938 117.499 114.554 0.011 0.000 2.867 143 T HA 0.244 4.594 4.350 -0.000 0.000 0.290 143 T C 1.486 176.209 174.700 0.037 0.000 1.025 143 T CA 1.454 63.575 62.100 0.035 0.000 1.146 143 T CB 0.345 69.235 68.868 0.037 0.000 1.024 143 T HN 1.241 nan 8.240 nan 0.000 0.519 144 G N 2.402 111.231 108.800 0.048 0.000 2.184 144 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.264 144 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.264 144 G C 1.242 176.174 174.900 0.055 0.000 0.975 144 G CA 0.974 46.101 45.100 0.044 0.000 0.642 144 G HN 1.034 nan 8.290 nan 0.000 0.536 145 S N 0.397 116.144 115.700 0.078 0.000 2.406 145 S HA -0.028 4.442 4.470 -0.000 0.000 0.228 145 S C 1.429 176.107 174.600 0.129 0.000 1.020 145 S CA 1.577 59.841 58.200 0.107 0.000 0.965 145 S CB -0.149 63.150 63.200 0.164 0.000 0.798 145 S HN 1.262 nan 8.310 nan 0.000 0.488 146 N N 0.805 119.591 118.700 0.144 0.000 2.377 146 N HA 0.131 4.871 4.740 -0.000 0.000 0.259 146 N C 0.914 176.485 175.510 0.103 0.000 1.332 146 N CA 0.270 53.407 53.050 0.145 0.000 0.877 146 N CB -0.072 38.561 38.487 0.243 0.000 1.299 146 N HN 0.378 nan 8.380 nan 0.000 0.501 147 V N -2.614 117.345 119.914 0.075 0.000 2.427 147 V HA -0.084 4.036 4.120 -0.000 0.000 0.248 147 V C 1.798 177.912 176.094 0.034 0.000 1.051 147 V CA 1.062 63.393 62.300 0.053 0.000 1.048 147 V CB -0.855 30.992 31.823 0.040 0.000 0.666 147 V HN 0.066 nan 8.190 nan 0.000 0.456 148 V N 1.563 121.493 119.914 0.027 0.000 2.343 148 V HA -0.225 3.895 4.120 -0.000 0.000 0.247 148 V C 2.897 178.998 176.094 0.012 0.000 1.051 148 V CA 2.473 64.780 62.300 0.013 0.000 1.036 148 V CB -0.975 30.851 31.823 0.006 0.000 0.654 148 V HN 0.668 nan 8.190 nan 0.000 0.451 149 S N 0.178 115.892 115.700 0.023 0.000 2.359 149 S HA -0.184 4.286 4.470 -0.000 0.000 0.224 149 S C 2.002 176.614 174.600 0.020 0.000 1.035 149 S CA 1.649 59.860 58.200 0.019 0.000 1.018 149 S CB -0.414 62.808 63.200 0.037 0.000 0.876 149 S HN 0.406 nan 8.310 nan 0.000 0.448 150 V N 2.160 122.099 119.914 0.042 0.000 2.427 150 V HA -0.133 3.987 4.120 -0.000 0.000 0.248 150 V C 2.722 178.816 176.094 -0.001 0.000 1.051 150 V CA 1.453 63.774 62.300 0.036 0.000 1.048 150 V CB -1.372 30.487 31.823 0.061 0.000 0.666 150 V HN 0.542 nan 8.190 nan 0.000 0.456 151 A N -0.010 122.808 122.820 -0.003 0.000 1.883 151 A HA -0.277 4.043 4.320 -0.000 0.000 0.217 151 A C 2.169 179.733 177.584 -0.034 0.000 1.186 151 A CA 2.085 54.109 52.037 -0.021 0.000 0.624 151 A CB -0.526 18.465 19.000 -0.014 0.000 0.822 151 A HN 0.623 nan 8.150 nan 0.000 0.444 152 E N -0.652 119.532 120.200 -0.026 0.000 2.049 152 E HA -0.268 4.082 4.350 -0.000 0.000 0.198 152 E C 1.802 178.368 176.600 -0.055 0.000 1.007 152 E CA 1.569 57.948 56.400 -0.035 0.000 0.809 152 E CB -0.287 29.396 29.700 -0.028 0.000 0.749 152 E HN 0.716 nan 8.360 nan 0.000 0.450 153 D N 0.167 120.537 120.400 -0.049 0.000 2.144 153 D HA -0.141 4.499 4.640 -0.000 0.000 0.199 153 D C 1.760 178.008 176.300 -0.087 0.000 0.984 153 D CA 1.011 54.973 54.000 -0.062 0.000 0.834 153 D CB 0.164 40.944 40.800 -0.034 0.000 0.955 153 D HN 0.162 nan 8.370 nan 0.000 0.465 154 E N -0.153 119.997 120.200 -0.084 0.000 2.058 154 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 154 E C 2.193 178.711 176.600 -0.137 0.000 0.997 154 E CA 0.558 56.890 56.400 -0.112 0.000 0.801 154 E CB -0.131 29.511 29.700 -0.097 0.000 0.746 154 E HN 0.326 nan 8.360 nan 0.000 0.450 155 L N 0.784 121.928 121.223 -0.131 0.000 2.093 155 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 155 L C 2.511 179.269 176.870 -0.186 0.000 1.085 155 L CA 0.860 55.593 54.840 -0.178 0.000 0.755 155 L CB -0.088 41.872 42.059 -0.165 0.000 0.904 155 L HN 0.253 nan 8.230 nan 0.000 0.435 156 M N -0.478 119.036 119.600 -0.144 0.000 2.108 156 M HA -0.272 4.208 4.480 -0.000 0.000 0.261 156 M C 2.302 178.505 176.300 -0.161 0.000 1.066 156 M CA 1.811 57.022 55.300 -0.148 0.000 1.107 156 M CB -0.157 32.362 32.600 -0.136 0.000 1.356 156 M HN 0.197 nan 8.290 nan 0.000 0.406 157 R N 0.171 120.578 120.500 -0.156 0.000 2.092 157 R HA -0.035 4.305 4.340 -0.000 0.000 0.231 157 R C 2.106 178.309 176.300 -0.162 0.000 1.119 157 R CA 1.575 57.580 56.100 -0.158 0.000 0.970 157 R CB -0.499 29.698 30.300 -0.172 0.000 0.864 157 R HN 0.450 nan 8.270 nan 0.000 0.440 158 I N 0.960 121.423 120.570 -0.178 0.000 2.163 158 I HA -0.325 3.845 4.170 -0.000 0.000 0.243 158 I C 2.238 178.260 176.117 -0.157 0.000 1.085 158 I CA 1.468 62.660 61.300 -0.179 0.000 1.347 158 I CB -0.347 37.526 38.000 -0.211 0.000 1.044 158 I HN 0.144 nan 8.210 nan 0.000 0.408 159 L N 0.344 121.465 121.223 -0.170 0.000 2.017 159 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 159 L C 2.565 179.392 176.870 -0.073 0.000 1.073 159 L CA 1.590 56.355 54.840 -0.125 0.000 0.745 159 L CB -0.469 41.512 42.059 -0.131 0.000 0.894 159 L HN 0.204 nan 8.230 nan 0.000 0.432 160 I N -0.447 120.072 120.570 -0.085 0.000 2.208 160 I HA -0.335 3.835 4.170 -0.000 0.000 0.245 160 I C 2.394 178.517 176.117 0.010 0.000 1.097 160 I CA 1.406 62.695 61.300 -0.019 0.000 1.363 160 I CB -0.147 37.824 38.000 -0.049 0.000 1.051 160 I HN 0.238 nan 8.210 nan 0.000 0.413 161 L N -0.973 120.222 121.223 -0.047 0.000 2.044 161 L HA -0.191 4.149 4.340 -0.000 0.000 0.205 161 L C 2.543 179.390 176.870 -0.038 0.000 1.075 161 L CA 0.924 55.733 54.840 -0.052 0.000 0.747 161 L CB -0.392 41.608 42.059 -0.097 0.000 0.903 161 L HN 0.279 nan 8.230 nan 0.000 0.435 162 M N 0.184 119.759 119.600 -0.042 0.000 2.086 162 M HA -0.154 4.326 4.480 -0.000 0.000 0.261 162 M C 2.064 178.381 176.300 0.028 0.000 1.067 162 M CA 1.859 57.152 55.300 -0.012 0.000 1.116 162 M CB -0.238 32.344 32.600 -0.031 0.000 1.348 162 M HN -0.012 nan 8.290 nan 0.000 0.407 163 R N -0.594 119.916 120.500 0.018 0.000 2.317 163 R HA 0.145 4.485 4.340 -0.000 0.000 0.208 163 R C 0.225 176.537 176.300 0.021 0.000 0.914 163 R CA 0.263 56.378 56.100 0.026 0.000 1.060 163 R CB -0.489 29.833 30.300 0.037 0.000 1.015 163 R HN 0.408 nan 8.270 nan 0.000 0.498 164 N N 0.435 119.145 118.700 0.017 0.000 2.727 164 N HA -0.238 4.502 4.740 -0.000 0.000 0.251 164 N C 0.172 175.701 175.510 0.031 0.000 1.040 164 N CA 0.140 53.187 53.050 -0.005 0.000 0.712 164 N CB -1.333 37.104 38.487 -0.084 0.000 0.912 164 N HN 0.333 nan 8.380 nan 0.000 0.545 165 F N -0.015 119.910 119.950 -0.043 0.000 2.146 165 F HA -0.033 4.494 4.527 -0.000 0.000 0.298 165 F C 1.847 177.654 175.800 0.013 0.000 1.096 165 F CA 1.628 59.615 58.000 -0.021 0.000 1.275 165 F CB -0.219 38.764 39.000 -0.028 0.000 1.008 165 F HN 0.096 nan 8.300 nan 0.000 0.480 166 V N 1.547 121.439 119.914 -0.037 0.000 2.295 166 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 166 V C -0.345 175.673 176.094 -0.127 0.000 1.049 166 V CA 2.370 64.615 62.300 -0.091 0.000 1.024 166 V CB -1.835 30.023 31.823 0.059 0.000 0.648 166 V HN 0.229 nan 8.190 nan 0.000 0.447 167 P HA -0.112 nan 4.420 nan 0.000 0.218 167 P C 1.666 178.870 177.300 -0.159 0.000 1.148 167 P CA 1.746 64.791 63.100 -0.091 0.000 0.822 167 P CB -0.286 31.375 31.700 -0.064 0.000 0.784 168 G N -1.217 107.440 108.800 -0.238 0.000 2.404 168 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.215 168 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.215 168 G C 1.559 176.269 174.900 -0.316 0.000 1.174 168 G CA 0.510 45.437 45.100 -0.289 0.000 0.780 168 G HN 0.211 nan 8.290 nan 0.000 0.537 169 Y N 2.197 122.152 120.300 -0.575 0.000 2.128 169 Y HA -0.187 4.363 4.550 -0.000 0.000 0.284 169 Y C 2.711 178.483 175.900 -0.214 0.000 1.154 169 Y CA 2.059 59.890 58.100 -0.450 0.000 1.149 169 Y CB -0.251 37.845 38.460 -0.607 0.000 0.976 169 Y HN 0.129 nan 8.280 nan 0.000 0.505 170 N N 0.367 118.954 118.700 -0.187 0.000 2.104 170 N HA -0.212 4.528 4.740 -0.000 0.000 0.190 170 N C 1.802 177.202 175.510 -0.183 0.000 1.024 170 N CA 1.836 54.793 53.050 -0.155 0.000 0.853 170 N CB -0.517 37.952 38.487 -0.031 0.000 1.008 170 N HN 0.594 nan 8.380 nan 0.000 0.424 171 Q N 0.243 119.940 119.800 -0.172 0.000 2.050 171 Q HA -0.065 4.275 4.340 -0.000 0.000 0.202 171 Q C 2.139 178.053 176.000 -0.143 0.000 0.980 171 Q CA 1.005 56.727 55.803 -0.135 0.000 0.840 171 Q CB -0.092 28.555 28.738 -0.153 0.000 0.898 171 Q HN 0.136 nan 8.270 nan 0.000 0.424 172 V N 0.870 120.656 119.914 -0.215 0.000 2.252 172 V HA -0.265 3.855 4.120 -0.000 0.000 0.249 172 V C 2.405 178.381 176.094 -0.196 0.000 1.056 172 V CA 2.073 64.263 62.300 -0.184 0.000 1.022 172 V CB -0.732 30.952 31.823 -0.232 0.000 0.641 172 V HN 0.437 nan 8.190 nan 0.000 0.445 173 V N -1.933 117.782 119.914 -0.331 0.000 2.667 173 V HA -0.099 4.021 4.120 -0.000 0.000 0.252 173 V C 1.957 177.981 176.094 -0.118 0.000 1.065 173 V CA 1.690 63.844 62.300 -0.243 0.000 1.083 173 V CB -0.829 30.803 31.823 -0.318 0.000 0.692 173 V HN 0.510 nan 8.190 nan 0.000 0.468 174 K N 0.928 121.267 120.400 -0.101 0.000 2.444 174 K HA 0.372 4.692 4.320 -0.000 0.000 0.193 174 K C 1.426 178.013 176.600 -0.023 0.000 1.024 174 K CA 0.578 56.837 56.287 -0.046 0.000 1.077 174 K CB 0.139 32.618 32.500 -0.036 0.000 0.833 174 K HN 0.756 nan 8.250 nan 0.000 0.517 175 G N 1.976 110.763 108.800 -0.021 0.000 2.143 175 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.248 175 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.248 175 G C -0.340 174.588 174.900 0.046 0.000 0.991 175 G CA 0.106 45.215 45.100 0.014 0.000 0.689 175 G HN 0.392 nan 8.290 nan 0.000 0.522 176 E N -1.225 118.999 120.200 0.041 0.000 2.280 176 E HA 0.583 4.933 4.350 -0.000 0.000 0.261 176 E C -0.396 176.307 176.600 0.171 0.000 1.088 176 E CA -0.865 55.580 56.400 0.076 0.000 0.915 176 E CB 1.263 30.977 29.700 0.023 0.000 1.141 176 E HN 0.276 nan 8.360 nan 0.000 0.433 177 W N 2.702 123.986 121.300 -0.026 0.000 2.822 177 W HA 0.263 4.923 4.660 -0.000 0.000 0.317 177 W C -1.777 174.734 176.519 -0.013 0.000 1.033 177 W CA -0.372 56.961 57.345 -0.022 0.000 1.252 177 W CB 0.741 30.190 29.460 -0.018 0.000 1.186 177 W HN 0.618 nan 8.180 nan 0.000 0.383 178 N N 4.981 123.573 118.700 -0.181 0.000 2.732 178 N HA 0.122 4.862 4.740 -0.000 0.000 0.247 178 N C 0.212 175.608 175.510 -0.190 0.000 1.305 178 N CA -0.204 52.798 53.050 -0.081 0.000 0.762 178 N CB 1.377 39.858 38.487 -0.010 0.000 1.361 178 N HN 0.053 nan 8.380 nan 0.000 0.545 179 V N 2.186 121.968 119.914 -0.221 0.000 2.392 179 V HA -0.220 3.900 4.120 -0.000 0.000 0.249 179 V C 2.512 178.560 176.094 -0.076 0.000 1.059 179 V CA 2.467 64.645 62.300 -0.202 0.000 1.051 179 V CB -0.629 31.127 31.823 -0.112 0.000 0.658 179 V HN 0.749 nan 8.190 nan 0.000 0.455 180 A N 0.617 123.431 122.820 -0.010 0.000 1.933 180 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 180 A C 2.377 180.035 177.584 0.124 0.000 1.175 180 A CA 1.809 53.873 52.037 0.045 0.000 0.628 180 A CB -1.134 17.887 19.000 0.035 0.000 0.814 180 A HN 0.556 nan 8.150 nan 0.000 0.444 181 G N -0.731 108.117 108.800 0.080 0.000 2.535 181 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.218 181 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.218 181 G C 1.282 176.291 174.900 0.182 0.000 1.122 181 G CA 1.196 46.386 45.100 0.149 0.000 0.769 181 G HN 0.525 nan 8.290 nan 0.000 0.549 182 I N -0.063 120.528 120.570 0.034 0.000 3.300 182 I HA 0.219 4.389 4.170 -0.000 0.000 0.279 182 I C 2.893 178.924 176.117 -0.143 0.000 1.172 182 I CA 0.681 61.932 61.300 -0.082 0.000 1.431 182 I CB 0.034 37.955 38.000 -0.131 0.000 1.240 182 I HN 0.067 nan 8.210 nan 0.000 0.453 183 A N 1.035 123.811 122.820 -0.073 0.000 2.015 183 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 183 A C 2.248 179.761 177.584 -0.118 0.000 1.163 183 A CA 1.432 53.409 52.037 -0.100 0.000 0.646 183 A CB -1.089 17.878 19.000 -0.057 0.000 0.806 183 A HN 0.665 nan 8.150 nan 0.000 0.448 184 Y N -1.569 118.683 120.300 -0.080 0.000 2.384 184 Y HA -0.004 4.546 4.550 -0.000 0.000 0.289 184 Y C 1.915 177.772 175.900 -0.072 0.000 1.152 184 Y CA 1.561 59.619 58.100 -0.071 0.000 1.258 184 Y CB -0.229 38.208 38.460 -0.037 0.000 0.979 184 Y HN 0.170 nan 8.280 nan 0.000 0.549 185 R N 0.403 120.461 120.500 -0.737 0.000 2.476 185 R HA 0.482 4.822 4.340 -0.000 0.000 0.276 185 R C -0.095 176.052 176.300 -0.256 0.000 0.941 185 R CA 0.312 56.071 56.100 -0.569 0.000 1.088 185 R CB 0.534 30.275 30.300 -0.931 0.000 1.216 185 R HN 0.284 nan 8.270 nan 0.000 0.533 186 A N 0.670 123.314 122.820 -0.293 0.000 2.301 186 A HA 0.496 4.816 4.320 -0.000 0.000 0.298 186 A C -1.260 176.160 177.584 -0.273 0.000 1.185 186 A CA -0.019 51.912 52.037 -0.176 0.000 0.830 186 A CB 0.212 19.122 19.000 -0.150 0.000 1.112 186 A HN 0.187 nan 8.150 nan 0.000 0.508 187 Y N 0.331 120.595 120.300 -0.060 0.000 2.570 187 Y HA 0.357 4.907 4.550 -0.000 0.000 0.345 187 Y C -0.118 175.769 175.900 -0.022 0.000 1.014 187 Y CA -0.760 57.318 58.100 -0.037 0.000 1.063 187 Y CB 1.699 40.134 38.460 -0.041 0.000 1.272 187 Y HN 0.632 nan 8.280 nan 0.000 0.477 188 D N 1.257 121.755 120.400 0.163 0.000 2.341 188 D HA 0.050 4.690 4.640 -0.000 0.000 0.245 188 D C 0.802 177.166 176.300 0.107 0.000 1.106 188 D CA -0.110 53.958 54.000 0.114 0.000 0.905 188 D CB 1.439 42.297 40.800 0.096 0.000 1.202 188 D HN 0.449 nan 8.370 nan 0.000 0.426 189 L N 1.661 122.933 121.223 0.082 0.000 2.093 189 L HA -0.049 4.291 4.340 -0.000 0.000 0.208 189 L C 0.866 177.777 176.870 0.068 0.000 1.085 189 L CA 1.346 56.210 54.840 0.040 0.000 0.755 189 L CB -0.486 41.560 42.059 -0.021 0.000 0.904 189 L HN 0.507 nan 8.230 nan 0.000 0.435 190 E N -0.485 119.786 120.200 0.118 0.000 2.765 190 E HA 0.100 4.450 4.350 -0.000 0.000 0.256 190 E C 1.129 177.767 176.600 0.063 0.000 0.935 190 E CA 0.801 57.263 56.400 0.102 0.000 0.954 190 E CB -0.175 29.580 29.700 0.091 0.000 0.908 190 E HN 0.563 nan 8.360 nan 0.000 0.500 191 G N 3.794 112.624 108.800 0.049 0.000 2.205 191 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.261 191 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.261 191 G C 0.037 174.939 174.900 0.005 0.000 0.980 191 G CA 0.423 45.540 45.100 0.028 0.000 0.632 191 G HN 0.486 nan 8.290 nan 0.000 0.533 192 K N 0.831 121.228 120.400 -0.005 0.000 2.107 192 K HA 0.541 4.861 4.320 -0.000 0.000 0.251 192 K C 0.180 176.760 176.600 -0.034 0.000 1.012 192 K CA -0.080 56.182 56.287 -0.041 0.000 0.920 192 K CB 0.611 33.072 32.500 -0.065 0.000 1.033 192 K HN 0.112 nan 8.250 nan 0.000 0.478 193 T N 2.085 116.610 114.554 -0.047 0.000 2.767 193 T HA 0.509 4.859 4.350 -0.000 0.000 0.288 193 T C 0.243 174.918 174.700 -0.042 0.000 0.963 193 T CA -0.443 61.637 62.100 -0.034 0.000 1.019 193 T CB 0.226 69.073 68.868 -0.034 0.000 0.923 193 T HN 0.282 nan 8.240 nan 0.000 0.468 194 I N 2.388 122.942 120.570 -0.027 0.000 2.466 194 I HA 0.551 4.721 4.170 -0.000 0.000 0.289 194 I C 0.513 176.628 176.117 -0.004 0.000 1.026 194 I CA -0.823 60.456 61.300 -0.035 0.000 1.078 194 I CB 2.073 40.043 38.000 -0.049 0.000 1.249 194 I HN 0.693 nan 8.210 nan 0.000 0.429 195 G N 2.690 111.488 108.800 -0.003 0.000 2.478 195 G HA2 0.483 4.443 3.960 -0.000 0.000 0.317 195 G HA3 0.483 4.443 3.960 -0.000 0.000 0.317 195 G C -0.743 174.182 174.900 0.042 0.000 1.259 195 G CA -0.356 44.766 45.100 0.036 0.000 0.933 195 G HN 0.427 nan 8.290 nan 0.000 0.478 196 T N 1.238 115.845 114.554 0.088 0.000 2.767 196 T HA 0.368 4.718 4.350 -0.000 0.000 0.288 196 T C 0.070 174.858 174.700 0.148 0.000 0.963 196 T CA -0.377 61.772 62.100 0.082 0.000 1.019 196 T CB 0.748 69.652 68.868 0.060 0.000 0.923 196 T HN 0.272 nan 8.240 nan 0.000 0.468 197 V N 5.331 125.321 119.914 0.126 0.000 2.299 197 V HA 0.669 4.789 4.120 -0.000 0.000 0.255 197 V C 0.902 177.090 176.094 0.156 0.000 1.100 197 V CA 0.164 62.583 62.300 0.198 0.000 0.938 197 V CB -0.394 31.566 31.823 0.227 0.000 1.139 197 V HN 1.282 nan 8.190 nan 0.000 0.490 198 G N 3.748 112.643 108.800 0.158 0.000 3.014 198 G HA2 0.423 4.383 3.960 -0.000 0.000 0.683 198 G HA3 0.423 4.383 3.960 -0.000 0.000 0.683 198 G C -0.473 174.482 174.900 0.091 0.000 1.271 198 G CA -0.299 44.859 45.100 0.097 0.000 0.843 198 G HN 1.450 nan 8.290 nan 0.000 0.612 199 A N 1.411 124.275 122.820 0.072 0.000 3.365 199 A HA 0.839 5.159 4.320 -0.000 0.000 0.258 199 A C 1.020 178.582 177.584 -0.036 0.000 0.964 199 A CA 0.978 53.013 52.037 -0.004 0.000 0.988 199 A CB 0.036 18.987 19.000 -0.082 0.000 1.193 199 A HN 2.141 nan 8.150 nan 0.000 0.508 200 G N 0.023 108.812 108.800 -0.018 0.000 2.829 200 G HA2 0.309 4.269 3.960 -0.000 0.000 0.173 200 G HA3 0.309 4.269 3.960 -0.000 0.000 0.173 200 G C 0.923 175.809 174.900 -0.024 0.000 1.476 200 G CA -0.297 44.792 45.100 -0.018 0.000 1.072 200 G HN 0.457 nan 8.290 nan 0.000 0.577 201 R N -0.963 119.532 120.500 -0.008 0.000 2.073 201 R HA -0.002 4.338 4.340 -0.000 0.000 0.234 201 R C 2.586 178.880 176.300 -0.010 0.000 1.134 201 R CA 1.372 57.469 56.100 -0.006 0.000 0.952 201 R CB -0.409 29.898 30.300 0.011 0.000 0.850 201 R HN 0.434 nan 8.270 nan 0.000 0.433 202 I N -0.350 120.218 120.570 -0.003 0.000 2.233 202 I HA -0.129 4.041 4.170 -0.000 0.000 0.243 202 I C 2.554 178.659 176.117 -0.021 0.000 1.093 202 I CA 1.289 62.587 61.300 -0.004 0.000 1.380 202 I CB -0.706 37.297 38.000 0.006 0.000 1.067 202 I HN 0.327 nan 8.210 nan 0.000 0.413 203 G N 1.189 109.974 108.800 -0.024 0.000 2.469 203 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.219 203 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.219 203 G C 1.736 176.598 174.900 -0.064 0.000 1.150 203 G CA 0.817 45.896 45.100 -0.035 0.000 0.763 203 G HN 0.323 nan 8.290 nan 0.000 0.561 204 K N -0.221 120.132 120.400 -0.078 0.000 2.057 204 K HA 0.099 4.418 4.320 -0.000 0.000 0.207 204 K C 2.511 179.074 176.600 -0.061 0.000 1.049 204 K CA 0.745 56.975 56.287 -0.096 0.000 0.931 204 K CB -0.282 32.162 32.500 -0.094 0.000 0.714 204 K HN 0.256 nan 8.250 nan 0.000 0.440 205 L N 0.694 121.893 121.223 -0.040 0.000 2.083 205 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 205 L C 2.350 179.206 176.870 -0.023 0.000 1.083 205 L CA 0.439 55.264 54.840 -0.025 0.000 0.752 205 L CB -0.350 41.700 42.059 -0.015 0.000 0.899 205 L HN 0.180 nan 8.230 nan 0.000 0.433 206 L N -0.140 121.065 121.223 -0.031 0.000 1.994 206 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 206 L C 2.329 179.182 176.870 -0.030 0.000 1.071 206 L CA 1.747 56.565 54.840 -0.036 0.000 0.745 206 L CB -0.441 41.590 42.059 -0.047 0.000 0.892 206 L HN 0.084 nan 8.230 nan 0.000 0.431 207 L N -0.865 120.337 121.223 -0.035 0.000 2.042 207 L HA -0.281 4.059 4.340 -0.000 0.000 0.210 207 L C 2.679 179.546 176.870 -0.005 0.000 1.076 207 L CA 1.645 56.470 54.840 -0.025 0.000 0.749 207 L CB -0.660 41.365 42.059 -0.057 0.000 0.893 207 L HN 0.429 nan 8.230 nan 0.000 0.432 208 Q N -0.369 119.425 119.800 -0.011 0.000 2.124 208 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 208 Q C 2.335 178.355 176.000 0.033 0.000 0.977 208 Q CA 1.385 57.190 55.803 0.004 0.000 0.850 208 Q CB -0.041 28.692 28.738 -0.008 0.000 0.901 208 Q HN 0.432 nan 8.270 nan 0.000 0.429 209 R N -0.018 120.506 120.500 0.039 0.000 2.193 209 R HA 0.008 4.348 4.340 -0.000 0.000 0.213 209 R C 1.988 178.395 176.300 0.179 0.000 1.055 209 R CA 0.598 56.753 56.100 0.091 0.000 0.995 209 R CB 0.044 30.383 30.300 0.064 0.000 0.893 209 R HN 0.199 nan 8.270 nan 0.000 0.459 210 L N 0.406 121.693 121.223 0.106 0.000 2.313 210 L HA -0.067 4.273 4.340 -0.000 0.000 0.214 210 L C 2.229 179.237 176.870 0.230 0.000 1.119 210 L CA 0.641 55.563 54.840 0.136 0.000 0.809 210 L CB -0.197 41.861 42.059 -0.001 0.000 0.933 210 L HN 0.028 nan 8.230 nan 0.000 0.449 211 K N 1.632 122.115 120.400 0.138 0.000 2.052 211 K HA -0.182 4.138 4.320 -0.000 0.000 0.215 211 K C -0.682 175.976 176.600 0.096 0.000 1.053 211 K CA 1.928 58.272 56.287 0.096 0.000 0.934 211 K CB -1.417 31.114 32.500 0.052 0.000 0.717 211 K HN 0.173 nan 8.250 nan 0.000 0.450 212 P HA -0.016 nan 4.420 nan 0.000 0.245 212 P C 0.453 177.688 177.300 -0.108 0.000 1.212 212 P CA 0.659 63.731 63.100 -0.046 0.000 0.774 212 P CB -0.025 31.595 31.700 -0.134 0.000 0.999 213 F N 0.624 120.568 119.950 -0.010 0.000 2.615 213 F HA 0.266 4.792 4.527 -0.000 0.000 0.297 213 F C 1.743 177.540 175.800 -0.005 0.000 1.124 213 F CA 1.144 59.138 58.000 -0.009 0.000 1.451 213 F CB -0.667 38.325 39.000 -0.013 0.000 1.103 213 F HN 0.042 nan 8.300 nan 0.000 0.569 214 G N 0.457 109.345 108.800 0.146 0.000 2.248 214 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.252 214 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.252 214 G C -0.148 174.801 174.900 0.081 0.000 1.085 214 G CA -0.215 44.935 45.100 0.083 0.000 0.845 214 G HN 0.322 nan 8.290 nan 0.000 0.494 215 C N -0.521 118.831 119.300 0.086 0.000 2.328 215 C HA 0.727 5.187 4.460 -0.000 0.000 0.378 215 C C 0.832 175.846 174.990 0.039 0.000 1.249 215 C CA -0.691 58.360 59.018 0.054 0.000 2.204 215 C CB 1.484 29.248 27.740 0.040 0.000 2.218 215 C HN 0.718 nan 8.230 nan 0.000 0.564 216 N N 1.217 119.931 118.700 0.024 0.000 2.500 216 N HA 0.416 5.156 4.740 -0.000 0.000 0.236 216 N C -1.255 174.271 175.510 0.027 0.000 1.022 216 N CA 0.034 53.098 53.050 0.023 0.000 0.935 216 N CB -0.093 38.400 38.487 0.011 0.000 1.147 216 N HN 0.528 nan 8.380 nan 0.000 0.512 217 L N 4.010 125.260 121.223 0.046 0.000 2.282 217 L HA 0.502 4.841 4.340 -0.000 0.000 0.288 217 L C -0.313 176.616 176.870 0.098 0.000 1.033 217 L CA -0.715 54.163 54.840 0.063 0.000 0.807 217 L CB 0.957 43.059 42.059 0.071 0.000 1.209 217 L HN 0.314 nan 8.230 nan 0.000 0.423 218 L N 3.880 125.165 121.223 0.104 0.000 2.354 218 L HA 0.591 4.931 4.340 -0.000 0.000 0.264 218 L C -1.074 175.927 176.870 0.219 0.000 1.008 218 L CA -0.990 53.924 54.840 0.123 0.000 0.819 218 L CB 2.084 44.166 42.059 0.039 0.000 1.339 218 L HN 0.451 nan 8.230 nan 0.000 0.420 219 Y N -0.559 119.796 120.300 0.091 0.000 2.524 219 Y HA 0.680 5.230 4.550 0.000 0.000 0.347 219 Y C -1.135 174.872 175.900 0.178 0.000 1.005 219 Y CA -1.190 56.985 58.100 0.126 0.000 1.025 219 Y CB 1.271 39.806 38.460 0.126 0.000 1.275 219 Y HN 0.566 nan 8.280 nan 0.000 0.460 220 H N 2.525 121.658 119.070 0.105 0.000 2.489 220 H HA 0.642 5.198 4.556 -0.000 0.000 0.343 220 H C -1.712 173.756 175.328 0.234 0.000 1.086 220 H CA -0.420 55.644 56.048 0.026 0.000 1.198 220 H CB 1.583 31.325 29.762 -0.033 0.000 1.490 220 H HN 0.921 nan 8.280 nan 0.000 0.504 221 D N 2.685 122.869 120.400 -0.360 0.000 2.622 221 D HA 0.157 4.797 4.640 -0.000 0.000 0.255 221 D C 0.449 176.628 176.300 -0.202 0.000 1.246 221 D CA -0.554 53.314 54.000 -0.220 0.000 0.795 221 D CB 1.786 42.661 40.800 0.124 0.000 1.369 221 D HN 0.691 nan 8.370 nan 0.000 0.425 222 R N 0.174 120.614 120.500 -0.100 0.000 2.115 222 R HA 0.102 4.442 4.340 -0.000 0.000 0.230 222 R C 0.330 176.659 176.300 0.049 0.000 1.111 222 R CA 0.788 56.893 56.100 0.008 0.000 0.976 222 R CB 0.073 30.383 30.300 0.016 0.000 0.870 222 R HN 0.256 nan 8.270 nan 0.000 0.445 223 L N 1.304 122.540 121.223 0.022 0.000 2.296 223 L HA 0.295 4.635 4.340 -0.000 0.000 0.286 223 L C -0.042 176.774 176.870 -0.090 0.000 1.023 223 L CA -0.604 54.219 54.840 -0.028 0.000 0.812 223 L CB 1.661 43.708 42.059 -0.021 0.000 1.223 223 L HN 0.017 nan 8.230 nan 0.000 0.421 224 Q N 2.881 122.484 119.800 -0.328 0.000 2.373 224 Q HA 0.324 4.664 4.340 -0.000 0.000 0.255 224 Q C -0.408 175.479 176.000 -0.190 0.000 0.980 224 Q CA -0.311 55.149 55.803 -0.572 0.000 0.882 224 Q CB 1.059 29.252 28.738 -0.908 0.000 1.249 224 Q HN 0.536 nan 8.270 nan 0.000 0.438 225 M N 1.840 121.404 119.600 -0.060 0.000 2.202 225 M HA 0.266 4.746 4.480 -0.000 0.000 0.316 225 M C 0.198 176.451 176.300 -0.078 0.000 1.138 225 M CA -0.446 54.787 55.300 -0.111 0.000 1.151 225 M CB 0.572 33.031 32.600 -0.235 0.000 1.422 225 M HN 0.724 nan 8.290 nan 0.000 0.471 226 A N 2.143 124.921 122.820 -0.070 0.000 2.540 226 A HA 0.181 4.501 4.320 -0.000 0.000 0.239 226 A C -1.760 175.806 177.584 -0.030 0.000 1.061 226 A CA -1.082 50.927 52.037 -0.047 0.000 0.758 226 A CB -0.640 18.336 19.000 -0.040 0.000 0.991 226 A HN 0.601 nan 8.150 nan 0.000 0.502 227 P HA -0.180 nan 4.420 nan 0.000 0.216 227 P C 0.771 178.072 177.300 0.003 0.000 1.150 227 P CA 1.708 64.809 63.100 0.001 0.000 0.843 227 P CB 0.159 31.860 31.700 0.002 0.000 0.787 228 E N -1.016 119.180 120.200 -0.006 0.000 2.150 228 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 228 E C 1.800 178.393 176.600 -0.011 0.000 0.985 228 E CA 0.649 57.045 56.400 -0.006 0.000 0.814 228 E CB -1.158 28.536 29.700 -0.009 0.000 0.752 228 E HN 0.145 nan 8.360 nan 0.000 0.466 229 L N 1.157 122.366 121.223 -0.024 0.000 2.109 229 L HA -0.062 4.278 4.340 -0.000 0.000 0.207 229 L C 1.770 178.620 176.870 -0.033 0.000 1.086 229 L CA 1.730 56.546 54.840 -0.040 0.000 0.760 229 L CB -0.319 41.698 42.059 -0.071 0.000 0.910 229 L HN 0.052 nan 8.230 nan 0.000 0.437 230 E N -0.727 119.467 120.200 -0.010 0.000 2.118 230 E HA -0.262 4.088 4.350 -0.000 0.000 0.195 230 E C 2.066 178.694 176.600 0.046 0.000 0.992 230 E CA 1.166 57.593 56.400 0.045 0.000 0.804 230 E CB -0.038 29.725 29.700 0.106 0.000 0.741 230 E HN 0.383 nan 8.360 nan 0.000 0.458 231 K N 0.824 121.240 120.400 0.028 0.000 2.076 231 K HA -0.125 4.195 4.320 -0.000 0.000 0.204 231 K C 1.871 178.482 176.600 0.018 0.000 1.051 231 K CA 0.965 57.267 56.287 0.026 0.000 0.949 231 K CB 0.148 32.659 32.500 0.018 0.000 0.726 231 K HN 0.076 nan 8.250 nan 0.000 0.443 232 E N -0.333 119.872 120.200 0.008 0.000 2.106 232 E HA -0.142 4.208 4.350 -0.000 0.000 0.192 232 E C 1.832 178.436 176.600 0.008 0.000 0.984 232 E CA 1.849 58.252 56.400 0.004 0.000 0.806 232 E CB 0.022 29.720 29.700 -0.005 0.000 0.750 232 E HN 0.465 nan 8.360 nan 0.000 0.458 233 T N -3.383 111.176 114.554 0.007 0.000 3.035 233 T HA 0.172 4.521 4.350 -0.000 0.000 0.259 233 T C 1.687 176.407 174.700 0.034 0.000 1.078 233 T CA 0.552 62.660 62.100 0.012 0.000 1.132 233 T CB 0.375 69.237 68.868 -0.009 0.000 0.900 233 T HN 0.286 nan 8.240 nan 0.000 0.480 234 G N 1.515 110.342 108.800 0.044 0.000 2.143 234 G HA2 -0.020 3.939 3.960 -0.000 0.000 0.249 234 G HA3 -0.020 3.939 3.960 -0.000 0.000 0.249 234 G C 0.224 175.176 174.900 0.087 0.000 0.981 234 G CA -0.010 45.125 45.100 0.058 0.000 0.665 234 G HN 1.187 nan 8.290 nan 0.000 0.528 235 A N 0.028 122.915 122.820 0.113 0.000 2.354 235 A HA 0.676 4.996 4.320 -0.000 0.000 0.269 235 A C 0.389 178.156 177.584 0.304 0.000 1.109 235 A CA -0.036 52.123 52.037 0.202 0.000 0.800 235 A CB 0.606 19.729 19.000 0.204 0.000 1.045 235 A HN 0.242 nan 8.150 nan 0.000 0.489 236 K N 1.909 122.472 120.400 0.271 0.000 2.244 236 K HA 0.322 4.642 4.320 -0.000 0.000 0.260 236 K C -1.079 175.531 176.600 0.017 0.000 0.951 236 K CA -0.515 55.880 56.287 0.179 0.000 0.826 236 K CB 1.554 34.102 32.500 0.080 0.000 1.108 236 K HN 0.564 nan 8.250 nan 0.000 0.433 237 F N 2.626 122.388 119.950 -0.312 0.000 2.543 237 F HA 0.076 4.603 4.527 -0.000 0.000 0.375 237 F C -0.250 175.347 175.800 -0.339 0.000 1.075 237 F CA -0.412 57.166 58.000 -0.704 0.000 1.225 237 F CB 0.485 39.225 39.000 -0.434 0.000 1.099 237 F HN 0.125 nan 8.300 nan 0.000 0.561 238 V N 7.856 127.276 119.914 -0.824 0.000 2.326 238 V HA 0.133 4.253 4.120 -0.000 0.000 0.281 238 V C 0.869 176.439 176.094 -0.874 0.000 1.015 238 V CA -0.606 61.313 62.300 -0.635 0.000 0.823 238 V CB 1.065 32.703 31.823 -0.308 0.000 1.009 238 V HN 0.905 nan 8.190 nan 0.000 0.436 239 E N 2.653 122.290 120.200 -0.939 0.000 2.110 239 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 239 E C 0.627 177.120 176.600 -0.178 0.000 0.988 239 E CA 0.893 56.893 56.400 -0.666 0.000 0.804 239 E CB 0.342 29.868 29.700 -0.291 0.000 0.745 239 E HN 0.773 nan 8.360 nan 0.000 0.458 240 D N 0.150 120.428 120.400 -0.203 0.000 2.274 240 D HA -0.010 4.630 4.640 -0.000 0.000 0.239 240 D C 0.788 176.883 176.300 -0.341 0.000 1.104 240 D CA -0.294 53.594 54.000 -0.186 0.000 0.840 240 D CB 1.670 42.385 40.800 -0.141 0.000 1.100 240 D HN 0.055 nan 8.370 nan 0.000 0.477 241 L N 5.173 126.050 121.223 -0.577 0.000 2.083 241 L HA -0.096 4.244 4.340 -0.000 0.000 0.209 241 L C 1.399 178.071 176.870 -0.330 0.000 1.083 241 L CA 1.640 56.048 54.840 -0.720 0.000 0.752 241 L CB -0.720 40.862 42.059 -0.796 0.000 0.899 241 L HN 0.390 nan 8.230 nan 0.000 0.433 242 N N -0.142 118.414 118.700 -0.240 0.000 2.289 242 N HA -0.206 4.534 4.740 -0.000 0.000 0.184 242 N C 1.763 177.201 175.510 -0.121 0.000 1.016 242 N CA 1.208 54.166 53.050 -0.153 0.000 0.872 242 N CB -0.119 38.293 38.487 -0.124 0.000 0.973 242 N HN 0.584 nan 8.380 nan 0.000 0.433 243 E N 0.315 120.433 120.200 -0.136 0.000 2.072 243 E HA -0.091 4.259 4.350 -0.000 0.000 0.190 243 E C 1.894 178.434 176.600 -0.101 0.000 0.982 243 E CA 0.516 56.850 56.400 -0.110 0.000 0.803 243 E CB 0.039 29.667 29.700 -0.120 0.000 0.755 243 E HN 0.255 nan 8.360 nan 0.000 0.453 244 M N 0.458 119.983 119.600 -0.125 0.000 2.175 244 M HA -0.127 4.353 4.480 -0.000 0.000 0.264 244 M C 1.996 178.263 176.300 -0.055 0.000 1.063 244 M CA 1.091 56.337 55.300 -0.091 0.000 1.119 244 M CB 0.061 32.603 32.600 -0.097 0.000 1.377 244 M HN 0.166 nan 8.290 nan 0.000 0.415 245 L N 0.619 121.811 121.223 -0.052 0.000 2.012 245 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 245 L C -0.554 176.312 176.870 -0.007 0.000 1.073 245 L CA 1.314 56.148 54.840 -0.009 0.000 0.748 245 L CB -2.313 39.751 42.059 0.007 0.000 0.891 245 L HN 0.276 nan 8.230 nan 0.000 0.431 246 P HA -0.115 nan 4.420 nan 0.000 0.233 246 P C 0.925 178.211 177.300 -0.024 0.000 1.167 246 P CA 1.128 64.222 63.100 -0.010 0.000 0.770 246 P CB -0.061 31.634 31.700 -0.009 0.000 0.837 247 K N -1.021 119.361 120.400 -0.030 0.000 2.432 247 K HA 0.047 4.367 4.320 -0.000 0.000 0.196 247 K C 0.396 176.973 176.600 -0.039 0.000 1.038 247 K CA 0.255 56.522 56.287 -0.034 0.000 0.986 247 K CB -0.199 32.281 32.500 -0.034 0.000 0.782 247 K HN 0.164 nan 8.250 nan 0.000 0.485 248 C N 2.359 121.635 119.300 -0.040 0.000 2.285 248 C HA 0.175 4.635 4.460 -0.000 0.000 0.335 248 C C 1.388 176.335 174.990 -0.072 0.000 1.267 248 C CA -1.053 57.936 59.018 -0.048 0.000 1.762 248 C CB 0.594 28.313 27.740 -0.035 0.000 2.365 248 C HN 0.424 nan 8.230 nan 0.000 0.527 249 D N 1.258 121.607 120.400 -0.086 0.000 2.144 249 D HA -0.053 4.587 4.640 -0.000 0.000 0.199 249 D C 0.509 176.740 176.300 -0.115 0.000 0.984 249 D CA 1.462 55.393 54.000 -0.114 0.000 0.834 249 D CB 0.251 40.972 40.800 -0.130 0.000 0.955 249 D HN 0.376 nan 8.370 nan 0.000 0.465 250 V N 1.752 121.606 119.914 -0.101 0.000 2.638 250 V HA 0.281 4.401 4.120 -0.000 0.000 0.306 250 V C -0.273 175.763 176.094 -0.096 0.000 1.052 250 V CA -0.755 61.478 62.300 -0.111 0.000 0.885 250 V CB 2.987 34.739 31.823 -0.118 0.000 0.999 250 V HN -0.080 nan 8.190 nan 0.000 0.424 251 I N 4.761 125.262 120.570 -0.116 0.000 2.433 251 I HA 0.513 4.683 4.170 -0.000 0.000 0.292 251 I C -0.435 175.589 176.117 -0.155 0.000 1.001 251 I CA -0.549 60.685 61.300 -0.110 0.000 1.119 251 I CB 2.072 40.003 38.000 -0.116 0.000 1.289 251 I HN 0.291 nan 8.210 nan 0.000 0.438 252 V N 6.450 126.293 119.914 -0.118 0.000 2.448 252 V HA 0.429 4.549 4.120 -0.000 0.000 0.295 252 V C 0.217 176.244 176.094 -0.113 0.000 1.025 252 V CA -0.754 61.464 62.300 -0.137 0.000 0.859 252 V CB 2.188 33.949 31.823 -0.105 0.000 0.988 252 V HN 0.350 nan 8.190 nan 0.000 0.431 253 I N 4.451 124.927 120.570 -0.157 0.000 2.352 253 I HA 0.379 4.549 4.170 -0.000 0.000 0.290 253 I C 0.364 176.450 176.117 -0.051 0.000 1.036 253 I CA 0.259 61.494 61.300 -0.108 0.000 1.336 253 I CB 0.852 38.757 38.000 -0.158 0.000 1.407 253 I HN 0.646 nan 8.210 nan 0.000 0.497 254 N N 6.319 125.018 118.700 -0.002 0.000 2.547 254 N HA 0.323 5.063 4.740 -0.000 0.000 0.285 254 N C -0.621 174.897 175.510 0.013 0.000 1.600 254 N CA -0.078 52.974 53.050 0.003 0.000 0.872 254 N CB 0.903 39.392 38.487 0.002 0.000 1.412 254 N HN 0.537 nan 8.380 nan 0.000 0.489 255 M N 0.174 119.781 119.600 0.013 0.000 2.724 255 M HA 0.569 5.049 4.480 -0.000 0.000 0.310 255 M C -2.284 173.981 176.300 -0.057 0.000 1.217 255 M CA -1.731 53.560 55.300 -0.015 0.000 0.894 255 M CB 1.671 34.281 32.600 0.017 0.000 1.719 255 M HN -0.172 nan 8.290 nan 0.000 0.479 256 P HA 0.202 nan 4.420 nan 0.000 0.274 256 P C -1.235 175.972 177.300 -0.155 0.000 1.246 256 P CA -0.633 62.313 63.100 -0.256 0.000 0.795 256 P CB 0.393 31.608 31.700 -0.807 0.000 1.006 257 L N 1.981 123.174 121.223 -0.050 0.000 2.315 257 L HA 0.412 4.752 4.340 -0.000 0.000 0.283 257 L C 0.119 177.022 176.870 0.055 0.000 1.089 257 L CA 0.798 55.660 54.840 0.037 0.000 0.833 257 L CB -0.720 41.403 42.059 0.106 0.000 1.170 257 L HN 0.603 nan 8.230 nan 0.000 0.442 258 T N 0.321 114.899 114.554 0.039 0.000 2.838 258 T HA 0.418 4.768 4.350 -0.000 0.000 0.292 258 T C 0.684 175.432 174.700 0.079 0.000 1.113 258 T CA -0.695 61.453 62.100 0.080 0.000 1.008 258 T CB 1.087 69.958 68.868 0.004 0.000 1.259 258 T HN 0.502 nan 8.240 nan 0.000 0.520 259 E N 0.651 120.902 120.200 0.084 0.000 2.171 259 E HA -0.138 4.212 4.350 -0.000 0.000 0.197 259 E C 1.694 178.321 176.600 0.045 0.000 0.997 259 E CA 1.360 57.796 56.400 0.059 0.000 0.810 259 E CB -0.102 29.630 29.700 0.053 0.000 0.738 259 E HN 0.657 nan 8.360 nan 0.000 0.467 260 K N -0.030 120.394 120.400 0.041 0.000 2.137 260 K HA -0.035 4.285 4.320 -0.000 0.000 0.202 260 K C 2.307 178.926 176.600 0.032 0.000 1.052 260 K CA 1.469 57.774 56.287 0.031 0.000 0.961 260 K CB -0.054 32.464 32.500 0.029 0.000 0.741 260 K HN 0.172 nan 8.250 nan 0.000 0.452 261 T N -0.902 113.676 114.554 0.041 0.000 3.023 261 T HA -0.053 4.297 4.350 -0.000 0.000 0.266 261 T C 0.963 175.712 174.700 0.082 0.000 1.093 261 T CA -0.042 62.096 62.100 0.063 0.000 1.129 261 T CB -0.094 68.813 68.868 0.065 0.000 0.899 261 T HN 0.025 nan 8.240 nan 0.000 0.491 262 R N 1.227 121.768 120.500 0.069 0.000 2.484 262 R HA 0.331 4.671 4.340 -0.000 0.000 0.293 262 R C 1.390 177.733 176.300 0.072 0.000 1.023 262 R CA 0.956 57.102 56.100 0.076 0.000 1.037 262 R CB -0.544 29.794 30.300 0.063 0.000 0.951 262 R HN 0.496 nan 8.270 nan 0.000 0.418 263 G N 4.686 113.543 108.800 0.094 0.000 2.180 263 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.263 263 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.263 263 G C 0.723 175.668 174.900 0.074 0.000 0.989 263 G CA 0.849 46.003 45.100 0.089 0.000 0.692 263 G HN 0.819 nan 8.290 nan 0.000 0.526 264 M N -2.139 117.506 119.600 0.076 0.000 2.213 264 M HA 0.291 4.771 4.480 -0.000 0.000 0.263 264 M C 1.078 177.280 176.300 -0.163 0.000 1.062 264 M CA 1.229 56.505 55.300 -0.039 0.000 1.105 264 M CB -0.080 32.483 32.600 -0.063 0.000 1.385 264 M HN 0.053 nan 8.290 nan 0.000 0.417 265 F N 3.630 123.605 119.950 0.042 0.000 2.567 265 F HA 0.240 4.767 4.527 -0.000 0.000 0.352 265 F C 0.374 176.198 175.800 0.040 0.000 1.229 265 F CA -0.920 57.104 58.000 0.040 0.000 1.228 265 F CB -0.674 38.357 39.000 0.051 0.000 1.568 265 F HN 0.383 nan 8.300 nan 0.000 0.634 266 N N 0.517 119.252 118.700 0.059 0.000 2.643 266 N HA 0.219 4.959 4.740 -0.000 0.000 0.305 266 N C 1.177 176.714 175.510 0.045 0.000 1.283 266 N CA -0.843 52.240 53.050 0.054 0.000 0.946 266 N CB 0.405 38.900 38.487 0.012 0.000 1.149 266 N HN 0.209 nan 8.380 nan 0.000 0.600 267 K N -0.219 120.197 120.400 0.027 0.000 2.034 267 K HA -0.336 3.984 4.320 -0.000 0.000 0.214 267 K C 1.630 178.225 176.600 -0.008 0.000 1.051 267 K CA 2.232 58.526 56.287 0.012 0.000 0.931 267 K CB -0.249 32.250 32.500 -0.001 0.000 0.715 267 K HN 0.732 nan 8.250 nan 0.000 0.446 268 E N 0.260 120.446 120.200 -0.024 0.000 2.051 268 E HA -0.212 4.138 4.350 -0.000 0.000 0.192 268 E C 2.108 178.680 176.600 -0.046 0.000 0.991 268 E CA 1.200 57.576 56.400 -0.041 0.000 0.799 268 E CB -0.218 29.454 29.700 -0.047 0.000 0.748 268 E HN 0.311 nan 8.360 nan 0.000 0.449 269 L N 0.608 121.790 121.223 -0.069 0.000 2.141 269 L HA -0.048 4.292 4.340 -0.000 0.000 0.209 269 L C 2.175 179.057 176.870 0.021 0.000 1.094 269 L CA 1.374 56.147 54.840 -0.112 0.000 0.763 269 L CB -0.194 41.667 42.059 -0.330 0.000 0.908 269 L HN 0.316 nan 8.230 nan 0.000 0.437 270 I N -1.087 119.545 120.570 0.104 0.000 2.315 270 I HA -0.196 3.974 4.170 -0.000 0.000 0.248 270 I C 2.400 178.628 176.117 0.184 0.000 1.117 270 I CA 1.136 62.559 61.300 0.205 0.000 1.404 270 I CB -0.910 37.207 38.000 0.195 0.000 1.071 270 I HN 0.374 nan 8.210 nan 0.000 0.419 271 G N 0.946 109.767 108.800 0.035 0.000 2.450 271 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.220 271 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.220 271 G C 1.659 176.582 174.900 0.038 0.000 1.130 271 G CA 0.484 45.535 45.100 -0.083 0.000 0.760 271 G HN 0.341 nan 8.290 nan 0.000 0.557 272 K N -0.226 120.207 120.400 0.056 0.000 2.439 272 K HA 0.136 4.456 4.320 -0.000 0.000 0.197 272 K C 0.714 177.375 176.600 0.101 0.000 1.041 272 K CA -0.102 56.217 56.287 0.053 0.000 0.970 272 K CB -0.077 32.422 32.500 -0.001 0.000 0.773 272 K HN 0.300 nan 8.250 nan 0.000 0.479 273 L N 1.779 123.111 121.223 0.182 0.000 2.452 273 L HA 0.083 4.423 4.340 -0.000 0.000 0.267 273 L C 0.632 177.543 176.870 0.068 0.000 1.188 273 L CA -0.368 54.546 54.840 0.122 0.000 0.821 273 L CB 0.220 42.346 42.059 0.111 0.000 1.102 273 L HN 0.011 nan 8.230 nan 0.000 0.470 274 K N 2.608 122.986 120.400 -0.037 0.000 2.489 274 K HA -0.022 4.298 4.320 -0.000 0.000 0.278 274 K C 0.100 176.539 176.600 -0.267 0.000 1.000 274 K CA -0.128 56.106 56.287 -0.089 0.000 1.012 274 K CB 0.464 32.913 32.500 -0.086 0.000 0.903 274 K HN 0.403 nan 8.250 nan 0.000 0.485 275 K N 2.556 122.824 120.400 -0.220 0.000 2.484 275 K HA -0.069 4.251 4.320 -0.000 0.000 0.280 275 K C 0.505 176.973 176.600 -0.219 0.000 1.013 275 K CA 1.269 57.382 56.287 -0.290 0.000 1.029 275 K CB 0.001 32.478 32.500 -0.039 0.000 0.902 275 K HN 0.884 nan 8.250 nan 0.000 0.481 276 G N 2.207 110.869 108.800 -0.230 0.000 2.148 276 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.254 276 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.254 276 G C 0.087 174.892 174.900 -0.157 0.000 0.981 276 G CA 0.146 45.158 45.100 -0.145 0.000 0.670 276 G HN 0.625 nan 8.290 nan 0.000 0.528 277 V N 1.079 120.872 119.914 -0.201 0.000 2.694 277 V HA 0.391 4.511 4.120 -0.000 0.000 0.306 277 V C 0.910 176.925 176.094 -0.132 0.000 1.054 277 V CA 0.256 62.461 62.300 -0.158 0.000 1.161 277 V CB 0.652 32.385 31.823 -0.150 0.000 0.916 277 V HN 0.344 nan 8.190 nan 0.000 0.490 278 L N 7.864 129.009 121.223 -0.129 0.000 2.282 278 L HA 0.555 4.895 4.340 -0.000 0.000 0.288 278 L C -0.281 176.490 176.870 -0.165 0.000 1.033 278 L CA -0.261 54.499 54.840 -0.134 0.000 0.807 278 L CB 1.315 43.297 42.059 -0.129 0.000 1.209 278 L HN 0.493 nan 8.230 nan 0.000 0.423 279 I N 3.665 124.115 120.570 -0.201 0.000 2.406 279 I HA 0.403 4.573 4.170 -0.000 0.000 0.290 279 I C -0.546 175.295 176.117 -0.460 0.000 0.999 279 I CA -0.774 60.355 61.300 -0.285 0.000 1.124 279 I CB 2.337 40.199 38.000 -0.229 0.000 1.289 279 I HN 0.209 nan 8.210 nan 0.000 0.441 280 V N 5.274 124.941 119.914 -0.413 0.000 2.417 280 V HA 0.408 4.528 4.120 -0.000 0.000 0.291 280 V C -0.409 175.425 176.094 -0.434 0.000 1.024 280 V CA -0.524 61.511 62.300 -0.441 0.000 0.861 280 V CB 1.709 33.358 31.823 -0.288 0.000 0.985 280 V HN 0.710 nan 8.190 nan 0.000 0.436 281 N N 3.727 122.118 118.700 -0.515 0.000 2.648 281 N HA 0.320 5.060 4.740 -0.000 0.000 0.261 281 N C -0.251 175.114 175.510 -0.241 0.000 1.138 281 N CA -0.330 52.514 53.050 -0.344 0.000 0.804 281 N CB 0.841 39.134 38.487 -0.324 0.000 1.237 281 N HN 0.473 nan 8.380 nan 0.000 0.532 282 N N 1.236 119.840 118.700 -0.159 0.000 2.279 282 N HA 0.281 5.021 4.740 -0.000 0.000 0.226 282 N C 0.750 176.233 175.510 -0.046 0.000 1.126 282 N CA 0.020 53.017 53.050 -0.089 0.000 0.846 282 N CB 0.858 39.315 38.487 -0.050 0.000 1.050 282 N HN 0.587 nan 8.380 nan 0.000 0.502 283 A N 0.294 123.085 122.820 -0.050 0.000 2.109 283 A HA 0.356 4.676 4.320 -0.000 0.000 0.220 283 A C 0.560 178.142 177.584 -0.004 0.000 1.613 283 A CA 0.840 52.869 52.037 -0.014 0.000 0.620 283 A CB 0.467 19.461 19.000 -0.010 0.000 1.212 283 A HN 0.032 nan 8.150 nan 0.000 0.508 284 R N -2.100 118.412 120.500 0.020 0.000 2.626 284 R HA 0.370 4.710 4.340 -0.000 0.000 0.274 284 R C 0.877 177.241 176.300 0.107 0.000 1.031 284 R CA 0.105 56.236 56.100 0.051 0.000 0.898 284 R CB 1.086 31.434 30.300 0.079 0.000 1.222 284 R HN 0.458 nan 8.270 nan 0.000 0.455 285 G N 1.056 109.941 108.800 0.141 0.000 2.421 285 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.216 285 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.216 285 G C 1.030 176.080 174.900 0.250 0.000 1.171 285 G CA 1.057 46.308 45.100 0.252 0.000 0.775 285 G HN 0.606 nan 8.290 nan 0.000 0.543 286 A N 0.237 123.150 122.820 0.155 0.000 2.248 286 A HA 0.223 4.543 4.320 -0.000 0.000 0.210 286 A C 2.186 179.860 177.584 0.151 0.000 1.174 286 A CA 0.491 52.605 52.037 0.128 0.000 0.750 286 A CB -0.348 18.707 19.000 0.091 0.000 0.780 286 A HN 0.420 nan 8.150 nan 0.000 0.478 287 I N -0.294 120.379 120.570 0.172 0.000 2.454 287 I HA -0.142 4.028 4.170 -0.000 0.000 0.254 287 I C 0.516 176.798 176.117 0.274 0.000 1.156 287 I CA 0.472 61.892 61.300 0.199 0.000 1.433 287 I CB -0.197 37.910 38.000 0.179 0.000 1.082 287 I HN 0.281 nan 8.210 nan 0.000 0.432 288 M N 0.728 120.494 119.600 0.277 0.000 2.318 288 M HA 0.276 4.756 4.480 -0.000 0.000 0.347 288 M C -0.013 176.445 176.300 0.264 0.000 1.175 288 M CA -0.224 55.258 55.300 0.305 0.000 1.075 288 M CB 0.741 33.526 32.600 0.309 0.000 1.614 288 M HN -0.012 nan 8.290 nan 0.000 0.456 289 E N 1.850 122.180 120.200 0.217 0.000 2.290 289 E HA 0.094 4.444 4.350 -0.000 0.000 0.277 289 E C 0.885 177.605 176.600 0.201 0.000 1.035 289 E CA -0.154 56.339 56.400 0.155 0.000 0.873 289 E CB 1.591 31.353 29.700 0.103 0.000 1.029 289 E HN 0.510 nan 8.360 nan 0.000 0.419 290 R N 2.791 123.369 120.500 0.130 0.000 2.082 290 R HA -0.268 4.072 4.340 -0.000 0.000 0.234 290 R C 1.935 178.360 176.300 0.208 0.000 1.136 290 R CA 1.973 58.143 56.100 0.116 0.000 0.935 290 R CB 0.005 30.172 30.300 -0.220 0.000 0.842 290 R HN 0.432 nan 8.270 nan 0.000 0.430 291 Q N 0.115 119.966 119.800 0.085 0.000 2.167 291 Q HA -0.003 4.337 4.340 -0.000 0.000 0.202 291 Q C 1.775 177.830 176.000 0.091 0.000 0.970 291 Q CA 1.864 57.714 55.803 0.078 0.000 0.855 291 Q CB -0.224 28.532 28.738 0.030 0.000 0.911 291 Q HN 0.471 nan 8.270 nan 0.000 0.438 292 A N -0.729 122.146 122.820 0.091 0.000 1.972 292 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 292 A C 2.205 179.830 177.584 0.069 0.000 1.169 292 A CA 1.592 53.675 52.037 0.076 0.000 0.635 292 A CB -0.671 18.378 19.000 0.082 0.000 0.810 292 A HN 0.263 nan 8.150 nan 0.000 0.446 293 V N -0.465 119.495 119.914 0.077 0.000 2.323 293 V HA -0.208 3.912 4.120 -0.000 0.000 0.244 293 V C 2.581 178.644 176.094 -0.052 0.000 1.041 293 V CA 1.847 64.102 62.300 -0.074 0.000 1.025 293 V CB -0.770 30.837 31.823 -0.360 0.000 0.656 293 V HN 0.371 nan 8.190 nan 0.000 0.451 294 V N 0.484 120.448 119.914 0.084 0.000 2.278 294 V HA -0.331 3.789 4.120 -0.000 0.000 0.251 294 V C 2.302 178.427 176.094 0.052 0.000 1.062 294 V CA 2.421 64.775 62.300 0.089 0.000 1.038 294 V CB -0.794 31.122 31.823 0.154 0.000 0.646 294 V HN 0.569 nan 8.190 nan 0.000 0.447 295 D N 0.323 120.754 120.400 0.051 0.000 2.097 295 D HA -0.099 4.541 4.640 -0.000 0.000 0.195 295 D C 2.166 178.491 176.300 0.042 0.000 0.989 295 D CA 1.748 55.773 54.000 0.042 0.000 0.827 295 D CB -0.346 40.475 40.800 0.035 0.000 0.966 295 D HN 0.476 nan 8.370 nan 0.000 0.456 296 A N 0.368 123.215 122.820 0.045 0.000 2.067 296 A HA -0.018 4.302 4.320 -0.000 0.000 0.217 296 A C 2.403 180.025 177.584 0.064 0.000 1.156 296 A CA 0.548 52.632 52.037 0.078 0.000 0.683 296 A CB -0.245 18.823 19.000 0.113 0.000 0.808 296 A HN 0.122 nan 8.150 nan 0.000 0.455 297 V N -0.093 119.831 119.914 0.017 0.000 2.407 297 V HA -0.185 3.935 4.120 -0.000 0.000 0.245 297 V C 2.278 178.390 176.094 0.029 0.000 1.041 297 V CA 1.984 64.285 62.300 0.003 0.000 1.040 297 V CB -0.622 31.175 31.823 -0.044 0.000 0.671 297 V HN 0.619 nan 8.190 nan 0.000 0.455 298 E N 0.711 120.934 120.200 0.038 0.000 2.153 298 E HA -0.175 4.175 4.350 -0.000 0.000 0.194 298 E C 2.269 178.897 176.600 0.047 0.000 0.988 298 E CA 1.551 57.979 56.400 0.046 0.000 0.811 298 E CB -0.156 29.573 29.700 0.048 0.000 0.746 298 E HN 0.732 nan 8.360 nan 0.000 0.466 299 S N -1.125 114.607 115.700 0.053 0.000 2.470 299 S HA 0.106 4.576 4.470 -0.000 0.000 0.225 299 S C 1.711 176.353 174.600 0.070 0.000 1.006 299 S CA 0.557 58.793 58.200 0.059 0.000 0.934 299 S CB 0.544 63.781 63.200 0.062 0.000 0.778 299 S HN 0.367 nan 8.310 nan 0.000 0.517 300 G N 0.427 109.269 108.800 0.069 0.000 2.176 300 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.232 300 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.232 300 G C 0.490 175.425 174.900 0.057 0.000 0.986 300 G CA 0.590 45.724 45.100 0.056 0.000 0.643 300 G HN 0.631 nan 8.290 nan 0.000 0.522 301 H N 0.280 119.354 119.070 0.007 0.000 2.357 301 H HA 0.265 4.821 4.556 -0.000 0.000 0.301 301 H C 1.469 176.795 175.328 -0.003 0.000 1.082 301 H CA 1.621 57.671 56.048 0.003 0.000 1.342 301 H CB -0.018 29.747 29.762 0.006 0.000 1.389 301 H HN 0.466 nan 8.280 nan 0.000 0.511 302 I N 0.947 121.503 120.570 -0.023 0.000 2.352 302 I HA 0.102 4.272 4.170 -0.000 0.000 0.290 302 I C 1.567 177.652 176.117 -0.054 0.000 1.036 302 I CA 0.148 61.407 61.300 -0.068 0.000 1.336 302 I CB 1.823 39.807 38.000 -0.027 0.000 1.407 302 I HN 0.347 nan 8.210 nan 0.000 0.497 303 G N 4.582 113.336 108.800 -0.077 0.000 2.464 303 G HA2 0.299 4.259 3.960 -0.000 0.000 0.217 303 G HA3 0.299 4.259 3.960 -0.000 0.000 0.217 303 G C 0.606 175.483 174.900 -0.039 0.000 1.138 303 G CA 0.595 45.665 45.100 -0.050 0.000 0.793 303 G HN 0.784 nan 8.290 nan 0.000 0.539 304 G N -1.984 106.785 108.800 -0.051 0.000 2.579 304 G HA2 0.451 4.411 3.960 -0.000 0.000 0.292 304 G HA3 0.451 4.411 3.960 -0.000 0.000 0.292 304 G C -2.344 172.529 174.900 -0.046 0.000 1.484 304 G CA -0.724 44.350 45.100 -0.043 0.000 0.813 304 G HN 0.179 nan 8.290 nan 0.000 0.515 305 Y N 0.661 120.834 120.300 -0.212 0.000 2.421 305 Y HA 0.752 5.302 4.550 -0.000 0.000 0.339 305 Y C -0.532 175.194 175.900 -0.290 0.000 0.996 305 Y CA -0.782 57.135 58.100 -0.306 0.000 1.046 305 Y CB 2.515 40.705 38.460 -0.450 0.000 1.226 305 Y HN 0.751 nan 8.280 nan 0.000 0.445 306 S N 3.876 119.139 115.700 -0.729 0.000 2.619 306 S HA 0.905 5.375 4.470 -0.000 0.000 0.280 306 S C -0.817 173.414 174.600 -0.614 0.000 1.150 306 S CA 0.208 58.111 58.200 -0.494 0.000 0.978 306 S CB 1.077 64.100 63.200 -0.294 0.000 1.041 306 S HN 1.343 nan 8.310 nan 0.000 0.485 307 G N 2.125 110.666 108.800 -0.431 0.000 2.506 307 G HA2 0.421 4.381 3.960 -0.000 0.000 0.292 307 G HA3 0.421 4.381 3.960 -0.000 0.000 0.292 307 G C -0.865 173.934 174.900 -0.169 0.000 1.425 307 G CA -0.282 44.620 45.100 -0.329 0.000 0.788 307 G HN 0.605 nan 8.290 nan 0.000 0.490 308 D N -1.596 118.756 120.400 -0.078 0.000 2.398 308 D HA 0.107 4.747 4.640 -0.000 0.000 0.210 308 D C 0.974 177.357 176.300 0.139 0.000 1.094 308 D CA 0.493 54.554 54.000 0.101 0.000 0.839 308 D CB 0.446 41.343 40.800 0.162 0.000 0.963 308 D HN 0.729 nan 8.370 nan 0.000 0.506 309 V N -2.720 117.145 119.914 -0.082 0.000 2.628 309 V HA 0.850 4.970 4.120 -0.000 0.000 0.306 309 V C -1.408 174.694 176.094 0.013 0.000 1.045 309 V CA -0.927 61.351 62.300 -0.036 0.000 0.905 309 V CB 1.368 33.090 31.823 -0.168 0.000 0.997 309 V HN 0.020 nan 8.190 nan 0.000 0.436 310 W N 0.718 122.026 121.300 0.014 0.000 3.083 310 W HA 0.702 5.362 4.660 -0.000 0.000 0.333 310 W C -1.138 175.362 176.519 -0.031 0.000 1.217 310 W CA -0.509 56.810 57.345 -0.043 0.000 1.170 310 W CB 1.539 30.904 29.460 -0.159 0.000 1.437 310 W HN 0.677 nan 8.180 nan 0.000 0.557 311 D N 2.344 122.828 120.400 0.141 0.000 2.425 311 D HA 0.468 5.108 4.640 -0.000 0.000 0.240 311 D C -2.240 174.130 176.300 0.116 0.000 1.080 311 D CA -1.871 52.189 54.000 0.099 0.000 0.836 311 D CB 1.861 42.670 40.800 0.014 0.000 1.125 311 D HN -0.055 nan 8.370 nan 0.000 0.525 312 P HA 0.344 nan 4.420 nan 0.000 0.297 312 P C -1.045 176.368 177.300 0.189 0.000 1.307 312 P CA -0.601 62.579 63.100 0.132 0.000 0.773 312 P CB 1.249 32.976 31.700 0.045 0.000 1.265 313 Q N -0.454 119.497 119.800 0.252 0.000 2.323 313 Q HA 0.443 4.783 4.340 -0.000 0.000 0.271 313 Q C -2.444 173.597 176.000 0.069 0.000 1.048 313 Q CA -2.068 53.811 55.803 0.127 0.000 0.792 313 Q CB 1.713 30.543 28.738 0.153 0.000 1.280 313 Q HN 0.304 nan 8.270 nan 0.000 0.441 314 P HA -0.021 nan 4.420 nan 0.000 0.267 314 P C -1.112 176.143 177.300 -0.075 0.000 1.200 314 P CA 0.066 63.161 63.100 -0.009 0.000 0.772 314 P CB 0.488 32.210 31.700 0.037 0.000 0.855 315 A N 4.688 127.343 122.820 -0.276 0.000 2.409 315 A HA 0.432 4.752 4.320 -0.000 0.000 0.267 315 A C -1.984 175.495 177.584 -0.175 0.000 1.127 315 A CA -1.095 50.756 52.037 -0.311 0.000 0.795 315 A CB -1.083 17.339 19.000 -0.964 0.000 1.061 315 A HN 0.405 nan 8.150 nan 0.000 0.502 316 P HA 0.076 nan 4.420 nan 0.000 0.270 316 P C 0.933 178.252 177.300 0.033 0.000 1.223 316 P CA -0.343 62.768 63.100 0.018 0.000 0.785 316 P CB 0.578 32.309 31.700 0.052 0.000 0.923 317 K N 1.579 122.010 120.400 0.052 0.000 2.127 317 K HA -0.231 4.089 4.320 -0.000 0.000 0.208 317 K C 0.828 177.570 176.600 0.236 0.000 1.047 317 K CA 2.124 58.475 56.287 0.107 0.000 0.927 317 K CB -0.239 32.318 32.500 0.095 0.000 0.716 317 K HN 0.546 nan 8.250 nan 0.000 0.450 318 D N -1.212 119.314 120.400 0.209 0.000 2.342 318 D HA -0.088 4.552 4.640 -0.000 0.000 0.221 318 D C 0.126 176.603 176.300 0.296 0.000 1.101 318 D CA -0.241 53.927 54.000 0.280 0.000 0.837 318 D CB -0.507 40.372 40.800 0.132 0.000 0.938 318 D HN 0.161 nan 8.370 nan 0.000 0.508 319 H N 2.394 121.552 119.070 0.147 0.000 3.107 319 H HA 0.013 4.569 4.556 -0.000 0.000 0.301 319 H C -1.368 174.077 175.328 0.194 0.000 0.981 319 H CA -0.801 55.313 56.048 0.111 0.000 1.443 319 H CB 1.410 31.227 29.762 0.090 0.000 1.479 319 H HN -0.002 nan 8.280 nan 0.000 0.564 320 P HA -0.134 nan 4.420 nan 0.000 0.223 320 P C 1.219 178.816 177.300 0.496 0.000 1.151 320 P CA 0.770 64.075 63.100 0.340 0.000 0.787 320 P CB -0.019 31.783 31.700 0.169 0.000 0.788 321 W N 1.364 122.916 121.300 0.420 0.000 2.421 321 W HA 0.009 4.669 4.660 -0.000 0.000 0.270 321 W C 2.294 178.874 176.519 0.100 0.000 1.233 321 W CA 0.436 57.882 57.345 0.167 0.000 1.226 321 W CB -1.457 27.960 29.460 -0.070 0.000 1.121 321 W HN 0.083 nan 8.180 nan 0.000 0.579 322 R N -1.287 119.383 120.500 0.283 0.000 2.148 322 R HA -0.125 4.215 4.340 -0.000 0.000 0.227 322 R C 1.141 177.270 176.300 -0.285 0.000 1.103 322 R CA 1.358 57.369 56.100 -0.148 0.000 0.983 322 R CB -0.504 29.298 30.300 -0.831 0.000 0.874 322 R HN 0.282 nan 8.270 nan 0.000 0.451 323 Y N -0.186 120.269 120.300 0.258 0.000 2.500 323 Y HA 0.242 4.792 4.550 -0.000 0.000 0.246 323 Y C 0.837 176.820 175.900 0.138 0.000 1.146 323 Y CA -0.968 57.235 58.100 0.172 0.000 1.230 323 Y CB 0.296 38.844 38.460 0.147 0.000 1.214 323 Y HN -0.041 nan 8.280 nan 0.000 0.526 324 M N 0.719 120.460 119.600 0.236 0.000 2.226 324 M HA 0.436 4.916 4.480 -0.000 0.000 0.324 324 M C -2.675 173.690 176.300 0.109 0.000 1.112 324 M CA -1.854 53.540 55.300 0.156 0.000 1.176 324 M CB -0.085 32.582 32.600 0.112 0.000 1.430 324 M HN -0.239 nan 8.290 nan 0.000 0.462 325 P HA 0.119 nan 4.420 nan 0.000 0.268 325 P C -0.570 176.759 177.300 0.048 0.000 1.205 325 P CA 0.281 63.422 63.100 0.068 0.000 0.771 325 P CB 0.313 32.049 31.700 0.060 0.000 0.858 326 N N -1.575 117.153 118.700 0.047 0.000 2.863 326 N HA -0.183 4.557 4.740 -0.000 0.000 0.245 326 N C -0.060 175.461 175.510 0.018 0.000 1.001 326 N CA 1.014 54.080 53.050 0.027 0.000 0.901 326 N CB -1.468 37.027 38.487 0.013 0.000 1.124 326 N HN 0.649 nan 8.380 nan 0.000 0.582 327 Q N 0.354 120.173 119.800 0.032 0.000 2.337 327 Q HA 0.528 4.868 4.340 -0.000 0.000 0.270 327 Q C 0.159 176.174 176.000 0.025 0.000 1.002 327 Q CA 0.606 56.423 55.803 0.024 0.000 0.888 327 Q CB 0.848 29.612 28.738 0.042 0.000 1.222 327 Q HN 0.265 nan 8.270 nan 0.000 0.400 328 A N 5.075 127.890 122.820 -0.008 0.000 3.214 328 A HA 0.400 4.720 4.320 -0.000 0.000 0.304 328 A C -0.631 176.941 177.584 -0.020 0.000 0.969 328 A CA -0.786 51.250 52.037 -0.001 0.000 0.986 328 A CB 0.073 19.065 19.000 -0.013 0.000 1.073 328 A HN 0.690 nan 8.150 nan 0.000 0.487 329 M N 1.201 120.818 119.600 0.028 0.000 2.247 329 M HA 0.449 4.929 4.480 -0.000 0.000 0.326 329 M C 0.704 177.097 176.300 0.154 0.000 1.134 329 M CA 0.277 55.615 55.300 0.063 0.000 1.136 329 M CB 0.856 33.537 32.600 0.134 0.000 1.454 329 M HN 0.643 nan 8.290 nan 0.000 0.467 330 T N -1.001 113.688 114.554 0.224 0.000 2.865 330 T HA 0.750 5.100 4.350 -0.000 0.000 0.294 330 T C -2.840 172.122 174.700 0.437 0.000 1.119 330 T CA -1.817 60.426 62.100 0.239 0.000 1.007 330 T CB 1.727 70.660 68.868 0.108 0.000 1.225 330 T HN 0.261 nan 8.240 nan 0.000 0.515 331 P HA 0.139 nan 4.420 nan 0.000 0.274 331 P C -0.542 176.937 177.300 0.299 0.000 1.264 331 P CA -0.364 62.840 63.100 0.174 0.000 0.795 331 P CB 0.047 31.736 31.700 -0.018 0.000 1.064 332 H N 0.063 119.240 119.070 0.179 0.000 3.157 332 H HA 0.150 4.706 4.556 0.000 0.000 0.260 332 H C 0.344 175.783 175.328 0.185 0.000 1.232 332 H CA 0.002 56.205 56.048 0.258 0.000 1.488 332 H CB -0.037 29.916 29.762 0.319 0.000 1.548 332 H HN 0.353 nan 8.280 nan 0.000 0.487 333 T N -0.962 113.761 114.554 0.281 0.000 2.966 333 T HA -0.069 4.281 4.350 -0.000 0.000 0.254 333 T C 2.038 176.727 174.700 -0.019 0.000 0.961 333 T CA 0.269 62.364 62.100 -0.008 0.000 0.915 333 T CB -0.070 68.770 68.868 -0.047 0.000 1.186 333 T HN 0.474 nan 8.240 nan 0.000 0.505 334 S N 1.855 117.641 115.700 0.144 0.000 2.387 334 S HA 0.140 4.610 4.470 -0.000 0.000 0.226 334 S C 2.229 176.886 174.600 0.095 0.000 1.026 334 S CA 0.943 59.195 58.200 0.087 0.000 0.972 334 S CB -1.198 62.058 63.200 0.093 0.000 0.814 334 S HN 0.600 nan 8.310 nan 0.000 0.477 335 G N -0.163 108.778 108.800 0.235 0.000 3.026 335 G HA2 0.180 4.140 3.960 -0.000 0.000 0.208 335 G HA3 0.180 4.140 3.960 -0.000 0.000 0.208 335 G C 0.734 175.669 174.900 0.058 0.000 1.169 335 G CA 0.691 45.968 45.100 0.294 0.000 0.788 335 G HN 0.533 nan 8.290 nan 0.000 0.533 336 T N 1.055 115.401 114.554 -0.346 0.000 3.415 336 T HA 0.279 4.629 4.350 -0.000 0.000 0.282 336 T C 1.012 175.571 174.700 -0.236 0.000 1.007 336 T CA 0.107 61.933 62.100 -0.456 0.000 0.958 336 T CB -0.568 67.578 68.868 -1.204 0.000 1.171 336 T HN 0.319 nan 8.240 nan 0.000 0.500 337 T N -0.011 114.454 114.554 -0.149 0.000 2.855 337 T HA 0.209 4.559 4.350 -0.000 0.000 0.314 337 T C 1.872 176.485 174.700 -0.146 0.000 1.077 337 T CA -0.792 61.222 62.100 -0.142 0.000 1.095 337 T CB 0.444 69.251 68.868 -0.101 0.000 0.987 337 T HN 0.031 nan 8.240 nan 0.000 0.546 338 I N 1.174 121.647 120.570 -0.161 0.000 2.151 338 I HA -0.176 3.994 4.170 -0.000 0.000 0.243 338 I C 2.224 178.259 176.117 -0.137 0.000 1.080 338 I CA 1.614 62.824 61.300 -0.150 0.000 1.339 338 I CB -1.261 36.652 38.000 -0.145 0.000 1.039 338 I HN 0.735 nan 8.210 nan 0.000 0.409 339 D N 1.028 121.361 120.400 -0.112 0.000 2.117 339 D HA -0.139 4.501 4.640 -0.000 0.000 0.197 339 D C 2.244 178.482 176.300 -0.103 0.000 0.987 339 D CA 1.578 55.521 54.000 -0.095 0.000 0.829 339 D CB -0.012 40.748 40.800 -0.068 0.000 0.961 339 D HN 0.341 nan 8.370 nan 0.000 0.460 340 A N 1.206 123.973 122.820 -0.088 0.000 1.877 340 A HA -0.250 4.070 4.320 -0.000 0.000 0.216 340 A C 2.182 179.598 177.584 -0.280 0.000 1.186 340 A CA 1.537 53.544 52.037 -0.050 0.000 0.620 340 A CB -0.713 18.329 19.000 0.070 0.000 0.822 340 A HN 0.221 nan 8.150 nan 0.000 0.443 341 Q N -0.415 119.094 119.800 -0.484 0.000 2.096 341 Q HA -0.137 4.203 4.340 -0.000 0.000 0.204 341 Q C 2.086 177.687 176.000 -0.664 0.000 0.982 341 Q CA 1.496 56.710 55.803 -0.982 0.000 0.850 341 Q CB -0.400 28.043 28.738 -0.491 0.000 0.901 341 Q HN 0.678 nan 8.270 nan 0.000 0.422 342 L N 0.200 121.218 121.223 -0.342 0.000 2.042 342 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 342 L C 2.534 179.284 176.870 -0.200 0.000 1.076 342 L CA 1.441 56.146 54.840 -0.226 0.000 0.749 342 L CB -0.301 41.671 42.059 -0.146 0.000 0.893 342 L HN 0.190 nan 8.230 nan 0.000 0.432 343 R N -0.804 119.594 120.500 -0.169 0.000 2.062 343 R HA -0.168 4.171 4.340 -0.000 0.000 0.229 343 R C 2.380 178.663 176.300 -0.028 0.000 1.128 343 R CA 1.725 57.778 56.100 -0.079 0.000 0.960 343 R CB -0.561 29.725 30.300 -0.023 0.000 0.855 343 R HN 0.464 nan 8.270 nan 0.000 0.432 344 Y N -0.440 119.849 120.300 -0.019 0.000 2.373 344 Y HA 0.218 4.768 4.550 0.000 0.000 0.293 344 Y C 2.139 178.009 175.900 -0.050 0.000 1.129 344 Y CA 0.088 58.179 58.100 -0.015 0.000 1.226 344 Y CB -0.697 37.791 38.460 0.045 0.000 1.000 344 Y HN -0.063 nan 8.280 nan 0.000 0.549 345 A N 1.674 124.441 122.820 -0.088 0.000 1.877 345 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 345 A C 2.544 180.063 177.584 -0.108 0.000 1.186 345 A CA 2.162 54.145 52.037 -0.091 0.000 0.620 345 A CB -1.414 17.464 19.000 -0.202 0.000 0.822 345 A HN 0.644 nan 8.150 nan 0.000 0.443 346 A N -0.565 122.181 122.820 -0.122 0.000 1.902 346 A HA 0.122 4.442 4.320 -0.000 0.000 0.217 346 A C 2.390 179.896 177.584 -0.130 0.000 1.181 346 A CA 1.918 53.872 52.037 -0.138 0.000 0.623 346 A CB -1.332 17.599 19.000 -0.115 0.000 0.818 346 A HN 0.748 nan 8.150 nan 0.000 0.443 347 G N -1.383 107.367 108.800 -0.083 0.000 2.422 347 G HA2 -0.074 3.885 3.960 -0.000 0.000 0.218 347 G HA3 -0.074 3.885 3.960 -0.000 0.000 0.218 347 G C 1.512 176.323 174.900 -0.148 0.000 1.140 347 G CA 1.572 46.614 45.100 -0.097 0.000 0.775 347 G HN 0.441 nan 8.290 nan 0.000 0.545 348 T N 0.303 114.791 114.554 -0.111 0.000 2.770 348 T HA -0.036 4.314 4.350 -0.000 0.000 0.263 348 T C 2.209 176.784 174.700 -0.210 0.000 1.039 348 T CA 1.377 63.393 62.100 -0.140 0.000 1.142 348 T CB -0.098 68.753 68.868 -0.029 0.000 0.868 348 T HN 0.375 nan 8.240 nan 0.000 0.435 349 K N 1.137 121.393 120.400 -0.241 0.000 2.032 349 K HA -0.206 4.114 4.320 -0.000 0.000 0.209 349 K C 2.235 178.631 176.600 -0.340 0.000 1.048 349 K CA 1.757 57.808 56.287 -0.394 0.000 0.927 349 K CB -0.289 31.896 32.500 -0.525 0.000 0.712 349 K HN 0.240 nan 8.250 nan 0.000 0.441 350 D N 0.397 120.647 120.400 -0.250 0.000 2.123 350 D HA -0.203 4.437 4.640 -0.000 0.000 0.196 350 D C 1.891 178.095 176.300 -0.160 0.000 0.992 350 D CA 1.424 55.325 54.000 -0.166 0.000 0.833 350 D CB 0.048 40.773 40.800 -0.125 0.000 0.954 350 D HN 0.350 nan 8.370 nan 0.000 0.455 351 M N -0.081 119.338 119.600 -0.302 0.000 2.229 351 M HA -0.106 4.374 4.480 -0.000 0.000 0.264 351 M C 2.490 178.600 176.300 -0.316 0.000 1.063 351 M CA 0.667 55.651 55.300 -0.528 0.000 1.114 351 M CB -0.059 31.890 32.600 -1.085 0.000 1.387 351 M HN 0.052 nan 8.290 nan 0.000 0.420 352 L N -0.026 121.035 121.223 -0.269 0.000 2.017 352 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 352 L C 2.348 179.065 176.870 -0.255 0.000 1.073 352 L CA 1.432 56.087 54.840 -0.308 0.000 0.745 352 L CB -0.676 41.284 42.059 -0.164 0.000 0.894 352 L HN 0.319 nan 8.230 nan 0.000 0.432 353 E N -0.107 120.169 120.200 0.126 0.000 2.085 353 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 353 E C 2.361 179.095 176.600 0.223 0.000 0.994 353 E CA 1.190 57.792 56.400 0.337 0.000 0.801 353 E CB -0.117 29.765 29.700 0.302 0.000 0.743 353 E HN 0.441 nan 8.360 nan 0.000 0.453 354 R N -0.198 120.410 120.500 0.180 0.000 2.066 354 R HA -0.140 4.200 4.340 -0.000 0.000 0.232 354 R C 2.359 178.825 176.300 0.276 0.000 1.131 354 R CA 1.206 57.450 56.100 0.240 0.000 0.955 354 R CB -0.455 30.043 30.300 0.331 0.000 0.851 354 R HN 0.212 nan 8.270 nan 0.000 0.432 355 Y N 0.924 121.328 120.300 0.173 0.000 2.114 355 Y HA -0.267 4.283 4.550 -0.000 0.000 0.282 355 Y C 1.760 177.711 175.900 0.085 0.000 1.165 355 Y CA 1.577 59.735 58.100 0.097 0.000 1.148 355 Y CB -0.543 37.888 38.460 -0.048 0.000 0.972 355 Y HN -0.017 nan 8.280 nan 0.000 0.504 356 F N -0.195 119.811 119.950 0.094 0.000 2.293 356 F HA -0.127 4.400 4.527 -0.000 0.000 0.300 356 F C 2.036 177.809 175.800 -0.044 0.000 1.086 356 F CA 0.921 58.897 58.000 -0.039 0.000 1.375 356 F CB -0.119 38.921 39.000 0.066 0.000 1.045 356 F HN -0.054 nan 8.300 nan 0.000 0.516 357 K N 0.089 120.599 120.400 0.183 0.000 2.404 357 K HA 0.159 4.479 4.320 -0.000 0.000 0.194 357 K C 1.272 177.905 176.600 0.054 0.000 1.023 357 K CA 0.512 56.867 56.287 0.113 0.000 1.094 357 K CB 0.232 32.811 32.500 0.131 0.000 0.841 357 K HN 0.270 nan 8.250 nan 0.000 0.523 358 G N 2.410 111.218 108.800 0.014 0.000 2.203 358 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.263 358 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.263 358 G C -0.503 174.410 174.900 0.022 0.000 1.012 358 G CA 0.315 45.408 45.100 -0.012 0.000 0.749 358 G HN 0.413 nan 8.290 nan 0.000 0.512 359 E N 0.522 120.763 120.200 0.070 0.000 2.231 359 E HA 0.411 4.761 4.350 -0.000 0.000 0.277 359 E C -0.471 176.185 176.600 0.093 0.000 0.999 359 E CA -0.994 55.456 56.400 0.084 0.000 0.827 359 E CB 0.909 30.678 29.700 0.114 0.000 1.101 359 E HN 0.193 nan 8.360 nan 0.000 0.393 360 D N 1.540 121.983 120.400 0.072 0.000 2.423 360 D HA 0.044 4.684 4.640 -0.000 0.000 0.238 360 D C -0.298 176.147 176.300 0.242 0.000 1.142 360 D CA 0.287 54.339 54.000 0.086 0.000 0.884 360 D CB 0.330 41.195 40.800 0.109 0.000 1.199 360 D HN 0.136 nan 8.370 nan 0.000 0.438 361 F N 1.277 121.328 119.950 0.169 0.000 2.403 361 F HA 0.272 4.799 4.527 -0.000 0.000 0.320 361 F C -1.397 174.425 175.800 0.036 0.000 1.176 361 F CA -2.687 55.286 58.000 -0.046 0.000 1.206 361 F CB -1.076 37.659 39.000 -0.442 0.000 1.235 361 F HN 0.083 nan 8.300 nan 0.000 0.565 362 P HA 0.050 nan 4.420 nan 0.000 0.266 362 P C 0.713 178.125 177.300 0.187 0.000 1.195 362 P CA 0.361 63.545 63.100 0.140 0.000 0.768 362 P CB 0.278 32.018 31.700 0.066 0.000 0.838 363 T N 1.457 116.139 114.554 0.213 0.000 2.665 363 T HA -0.200 4.150 4.350 -0.000 0.000 0.268 363 T C 1.450 176.295 174.700 0.242 0.000 1.035 363 T CA 1.652 63.916 62.100 0.274 0.000 1.151 363 T CB -0.470 68.492 68.868 0.157 0.000 0.862 363 T HN 0.620 nan 8.240 nan 0.000 0.438 364 E N 1.731 122.015 120.200 0.141 0.000 2.401 364 E HA -0.151 4.199 4.350 -0.000 0.000 0.199 364 E C 1.299 177.951 176.600 0.087 0.000 1.023 364 E CA 0.903 57.367 56.400 0.107 0.000 0.859 364 E CB -0.509 29.234 29.700 0.072 0.000 0.780 364 E HN 0.382 nan 8.360 nan 0.000 0.523 365 N N 0.059 118.788 118.700 0.048 0.000 2.457 365 N HA -0.025 4.715 4.740 -0.000 0.000 0.180 365 N C -0.361 175.117 175.510 -0.053 0.000 1.050 365 N CA 0.377 53.397 53.050 -0.050 0.000 0.906 365 N CB -0.227 38.167 38.487 -0.155 0.000 0.968 365 N HN 0.243 nan 8.380 nan 0.000 0.445 366 Y N 0.271 120.629 120.300 0.098 0.000 2.335 366 Y HA 0.116 4.666 4.550 0.000 0.000 0.331 366 Y C 1.470 177.378 175.900 0.013 0.000 1.094 366 Y CA -0.380 57.764 58.100 0.073 0.000 1.253 366 Y CB 0.920 39.412 38.460 0.053 0.000 1.203 366 Y HN -0.115 nan 8.280 nan 0.000 0.508 367 I N 2.114 122.748 120.570 0.107 0.000 3.300 367 I HA 0.081 4.251 4.170 -0.000 0.000 0.279 367 I C 0.029 176.114 176.117 -0.054 0.000 1.172 367 I CA 0.620 61.881 61.300 -0.065 0.000 1.431 367 I CB 0.055 37.897 38.000 -0.262 0.000 1.240 367 I HN 0.209 nan 8.210 nan 0.000 0.453 368 V N 2.207 122.130 119.914 0.014 0.000 2.525 368 V HA 0.438 4.558 4.120 -0.000 0.000 0.299 368 V C -0.320 175.813 176.094 0.065 0.000 1.034 368 V CA -0.835 61.470 62.300 0.009 0.000 0.863 368 V CB 2.689 34.497 31.823 -0.025 0.000 0.999 368 V HN 0.157 nan 8.190 nan 0.000 0.423 369 K N 2.890 123.285 120.400 -0.008 0.000 2.482 369 K HA 0.410 4.730 4.320 -0.000 0.000 0.251 369 K C -0.752 175.787 176.600 -0.101 0.000 0.936 369 K CA -0.522 55.705 56.287 -0.100 0.000 0.791 369 K CB 1.539 33.812 32.500 -0.378 0.000 1.213 369 K HN 0.720 nan 8.250 nan 0.000 0.428 370 D N 2.917 123.266 120.400 -0.085 0.000 2.751 370 D HA -0.191 4.449 4.640 -0.000 0.000 0.233 370 D C 0.561 176.836 176.300 -0.041 0.000 1.149 370 D CA 1.758 55.719 54.000 -0.064 0.000 0.682 370 D CB -1.184 39.565 40.800 -0.084 0.000 1.068 370 D HN 1.102 nan 8.370 nan 0.000 0.429 371 G N -0.131 108.651 108.800 -0.029 0.000 2.153 371 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.252 371 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.252 371 G C -0.032 174.857 174.900 -0.019 0.000 0.994 371 G CA 0.696 45.784 45.100 -0.019 0.000 0.698 371 G HN 0.520 nan 8.290 nan 0.000 0.521 372 E N -0.384 119.801 120.200 -0.025 0.000 2.176 372 E HA 0.558 4.908 4.350 -0.000 0.000 0.267 372 E C 0.270 176.864 176.600 -0.010 0.000 0.893 372 E CA -0.864 55.526 56.400 -0.017 0.000 0.761 372 E CB 1.801 31.487 29.700 -0.024 0.000 1.133 372 E HN 0.213 nan 8.360 nan 0.000 0.409 373 L N 2.328 123.553 121.223 0.003 0.000 2.397 373 L HA 0.269 4.609 4.340 -0.000 0.000 0.271 373 L C 0.518 177.414 176.870 0.042 0.000 1.148 373 L CA -0.333 54.513 54.840 0.010 0.000 0.825 373 L CB 0.788 42.869 42.059 0.037 0.000 1.117 373 L HN 0.648 nan 8.230 nan 0.000 0.456 374 A N 5.921 128.774 122.820 0.056 0.000 2.520 374 A HA 0.177 4.497 4.320 -0.000 0.000 0.235 374 A C -1.377 176.295 177.584 0.147 0.000 1.065 374 A CA -0.904 51.198 52.037 0.109 0.000 0.764 374 A CB -0.233 18.852 19.000 0.141 0.000 1.002 374 A HN 0.664 nan 8.150 nan 0.000 0.502 375 P HA -0.243 nan 4.420 nan 0.000 0.216 375 P C 1.264 178.627 177.300 0.105 0.000 1.150 375 P CA 1.625 64.782 63.100 0.094 0.000 0.837 375 P CB -0.043 31.697 31.700 0.066 0.000 0.786 376 Q N -0.815 119.061 119.800 0.126 0.000 2.364 376 Q HA -0.170 4.170 4.340 -0.000 0.000 0.207 376 Q C 1.147 177.149 176.000 0.004 0.000 0.970 376 Q CA 1.463 57.304 55.803 0.063 0.000 0.888 376 Q CB -1.032 27.733 28.738 0.045 0.000 0.951 376 Q HN 0.305 nan 8.270 nan 0.000 0.469 377 Y N 0.824 121.147 120.300 0.037 0.000 2.466 377 Y HA 0.282 4.832 4.550 -0.000 0.000 0.272 377 Y C 1.106 177.026 175.900 0.033 0.000 1.169 377 Y CA -0.295 57.827 58.100 0.036 0.000 1.285 377 Y CB 0.481 38.961 38.460 0.033 0.000 1.078 377 Y HN 0.017 nan 8.280 nan 0.000 0.523 378 R N 0.000 120.584 120.500 0.140 0.000 2.786 378 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 378 R CA 0.000 56.155 56.100 0.091 0.000 0.921 378 R CB 0.000 30.345 30.300 0.074 0.000 0.687 378 R HN 0.000 nan 8.270 nan 0.000 0.535