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 1h4i_1_C DATA FIRST_RESID 1 DATA SEQUENCE NDKLVELSKS DDNWVMPGKN YDSNNFSDLK QINKGNVKQL RPAWTFSTGL DATA SEQUENCE LNGHEGAPLV VDGKMYIHTS FPNNTFALGL DDPGTILWQD KPKQNPAARA DATA SEQUENCE VACCDLVNRG LAYWPGDGKT PALILKTQLD GNVAALNAET GETVWKVENS DATA SEQUENCE DIKVGSTLTI APYVVKDKVI IGSSGAELGV RGYLTAYDVK TGEQVWRAYA DATA SEQUENCE TGPDKDLLLA SDFNIKNPHY GQKGLGTGTW EGDAWKIGGG TNWGWYAYDP DATA SEQUENCE GTNLIYFGTG NPAPWNETMR PGDNKWTMTI FGRDADTGEA KFGYQKTPHD DATA SEQUENCE EWDYAGVNVM MLSEQKDKDG KARKLLTHPD RNGIVYTLDR TDGALVSANK DATA SEQUENCE LDDTVNVFKS VDLKTGQPVR DPEYGTRMDH LAKDIcPSAM GYHNQGHDSY DATA SEQUENCE DPKRELFFMG INHIcMDWEP FMLPYRAGQF FVGATLNMYP GPKGDRQNYE DATA SEQUENCE GLGQIKAYNA ITGDYKWEKM ERFAVWGGTM ATAGDLVFYG TLDGYLKARD DATA SEQUENCE SDTGDLLWKF KIPSGAIGYP MTYTHKGTQY VAIYYGVGGW PGVGLVFDLA DATA SEQUENCE DPTAGLGAVG AFKKLANYTQ MGGGVVVFSL DGKGPYDDPN VGEWK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 N HA 0.000 nan 4.740 nan 0.000 0.220 1 N C 0.000 175.667 175.510 0.261 0.000 1.280 1 N CA 0.000 53.191 53.050 0.235 0.000 0.885 1 N CB 0.000 38.628 38.487 0.236 0.000 1.341 2 D N 1.776 122.281 120.400 0.175 0.000 2.178 2 D HA -0.021 4.619 4.640 -0.000 0.000 0.202 2 D C 1.415 177.780 176.300 0.108 0.000 0.974 2 D CA 1.300 55.387 54.000 0.146 0.000 0.841 2 D CB 0.509 41.371 40.800 0.104 0.000 0.953 2 D HN 0.485 nan 8.370 nan 0.000 0.478 3 K N -0.070 120.370 120.400 0.067 0.000 2.025 3 K HA -0.025 4.294 4.320 -0.000 0.000 0.207 3 K C 1.952 178.579 176.600 0.044 0.000 1.049 3 K CA 0.648 56.947 56.287 0.020 0.000 0.933 3 K CB -0.029 32.431 32.500 -0.066 0.000 0.714 3 K HN 0.100 nan 8.250 nan 0.000 0.438 4 L N 0.244 121.506 121.223 0.065 0.000 2.046 4 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 4 L C 2.201 179.090 176.870 0.032 0.000 1.077 4 L CA 0.939 55.806 54.840 0.046 0.000 0.747 4 L CB -0.473 41.599 42.059 0.023 0.000 0.896 4 L HN 0.042 nan 8.230 nan 0.000 0.432 5 V N -0.498 119.495 119.914 0.132 0.000 2.287 5 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 5 V C 2.578 178.721 176.094 0.083 0.000 1.053 5 V CA 1.711 64.099 62.300 0.146 0.000 1.027 5 V CB -0.473 31.488 31.823 0.231 0.000 0.646 5 V HN 0.425 nan 8.190 nan 0.000 0.447 6 E N 0.005 120.251 120.200 0.075 0.000 2.051 6 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 6 E C 2.248 178.873 176.600 0.041 0.000 0.991 6 E CA 1.151 57.584 56.400 0.056 0.000 0.799 6 E CB -0.394 29.335 29.700 0.049 0.000 0.748 6 E HN 0.521 nan 8.360 nan 0.000 0.449 7 L N 1.296 122.542 121.223 0.037 0.000 2.079 7 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 7 L C 2.524 179.401 176.870 0.011 0.000 1.081 7 L CA 1.565 56.424 54.840 0.031 0.000 0.752 7 L CB -0.597 41.491 42.059 0.047 0.000 0.896 7 L HN 0.142 nan 8.230 nan 0.000 0.433 8 S N -1.058 114.634 115.700 -0.014 0.000 2.537 8 S HA -0.152 4.318 4.470 -0.000 0.000 0.240 8 S C 1.855 176.447 174.600 -0.014 0.000 0.981 8 S CA 0.730 58.900 58.200 -0.051 0.000 0.948 8 S CB -0.166 62.972 63.200 -0.103 0.000 0.759 8 S HN 0.212 nan 8.310 nan 0.000 0.531 9 K N 1.549 121.961 120.400 0.019 0.000 2.404 9 K HA 0.297 4.617 4.320 -0.000 0.000 0.194 9 K C 0.259 176.884 176.600 0.041 0.000 1.023 9 K CA -0.014 56.294 56.287 0.035 0.000 1.094 9 K CB 0.086 32.614 32.500 0.046 0.000 0.841 9 K HN 0.400 nan 8.250 nan 0.000 0.523 10 S N 1.214 116.939 115.700 0.041 0.000 2.499 10 S HA 0.150 4.620 4.470 -0.000 0.000 0.279 10 S C 0.423 175.067 174.600 0.073 0.000 1.219 10 S CA -0.553 57.680 58.200 0.054 0.000 1.062 10 S CB 0.848 64.082 63.200 0.055 0.000 0.978 10 S HN 0.098 nan 8.310 nan 0.000 0.489 11 D N 3.033 123.483 120.400 0.083 0.000 2.363 11 D HA -0.020 4.620 4.640 -0.000 0.000 0.220 11 D C 0.351 176.757 176.300 0.176 0.000 0.994 11 D CA 0.576 54.645 54.000 0.114 0.000 0.890 11 D CB 0.129 40.977 40.800 0.081 0.000 0.906 11 D HN 0.575 nan 8.370 nan 0.000 0.530 12 D N 0.107 120.602 120.400 0.159 0.000 2.355 12 D HA 0.033 4.673 4.640 -0.000 0.000 0.218 12 D C 0.368 176.790 176.300 0.204 0.000 1.004 12 D CA 0.441 54.566 54.000 0.208 0.000 0.880 12 D CB 0.342 41.231 40.800 0.148 0.000 0.911 12 D HN 0.175 nan 8.370 nan 0.000 0.528 13 N N -0.351 118.448 118.700 0.166 0.000 2.381 13 N HA 0.223 4.963 4.740 -0.000 0.000 0.294 13 N C -1.036 174.609 175.510 0.224 0.000 1.216 13 N CA -0.540 52.589 53.050 0.132 0.000 0.803 13 N CB 2.086 40.605 38.487 0.053 0.000 1.372 13 N HN 0.024 nan 8.380 nan 0.000 0.500 14 W N 2.329 123.622 121.300 -0.011 0.000 2.409 14 W HA 0.214 4.874 4.660 -0.000 0.000 0.285 14 W C -0.064 176.447 176.519 -0.014 0.000 1.030 14 W CA -0.598 56.757 57.345 0.017 0.000 1.330 14 W CB 0.383 29.863 29.460 0.034 0.000 1.236 14 W HN 0.345 nan 8.180 nan 0.000 0.341 15 V N 1.978 121.915 119.914 0.038 0.000 3.541 15 V HA 0.259 4.379 4.120 -0.000 0.000 0.267 15 V C 0.413 176.556 176.094 0.081 0.000 1.213 15 V CA 0.984 63.300 62.300 0.027 0.000 1.149 15 V CB -0.208 31.613 31.823 -0.002 0.000 0.822 15 V HN 0.346 nan 8.190 nan 0.000 0.462 16 M N -0.776 118.870 119.600 0.075 0.000 2.682 16 M HA 0.517 4.997 4.480 -0.000 0.000 0.272 16 M C -3.214 173.260 176.300 0.289 0.000 1.232 16 M CA -1.704 53.678 55.300 0.137 0.000 0.849 16 M CB 1.728 34.294 32.600 -0.057 0.000 1.695 16 M HN -0.191 nan 8.290 nan 0.000 0.481 17 P HA 0.273 nan 4.420 nan 0.000 0.264 17 P C 0.818 178.330 177.300 0.353 0.000 1.193 17 P CA 1.324 64.778 63.100 0.591 0.000 0.763 17 P CB 0.330 32.519 31.700 0.815 0.000 0.810 18 G N 2.068 110.885 108.800 0.029 0.000 2.176 18 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.253 18 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.253 18 G C 0.993 175.756 174.900 -0.228 0.000 0.979 18 G CA 0.466 45.359 45.100 -0.345 0.000 0.641 18 G HN 0.586 nan 8.290 nan 0.000 0.530 19 K N -1.408 118.722 120.400 -0.449 0.000 7.539 19 K HA -0.252 4.067 4.320 -0.000 0.000 0.483 19 K C 0.682 176.996 176.600 -0.477 0.000 0.357 19 K CA 2.712 58.416 56.287 -0.973 0.000 1.966 19 K CB -1.709 30.232 32.500 -0.933 0.000 0.628 19 K HN 1.208 nan 8.250 nan 0.000 0.851 20 N N -1.687 116.882 118.700 -0.218 0.000 2.761 20 N HA 0.357 5.097 4.740 -0.000 0.000 0.283 20 N C 0.737 176.284 175.510 0.061 0.000 1.377 20 N CA -0.433 52.545 53.050 -0.119 0.000 0.791 20 N CB -0.378 38.094 38.487 -0.024 0.000 1.540 20 N HN 0.107 nan 8.380 nan 0.000 0.539 21 Y N -0.841 119.592 120.300 0.221 0.000 2.352 21 Y HA -0.085 4.465 4.550 -0.000 0.000 0.292 21 Y C 0.909 177.013 175.900 0.341 0.000 1.136 21 Y CA 0.705 59.021 58.100 0.359 0.000 1.227 21 Y CB 0.077 38.777 38.460 0.400 0.000 0.991 21 Y HN 0.515 nan 8.280 nan 0.000 0.545 22 D N -0.659 119.963 120.400 0.370 0.000 2.264 22 D HA -0.120 4.520 4.640 -0.000 0.000 0.208 22 D C 1.017 177.487 176.300 0.282 0.000 0.966 22 D CA 1.157 55.324 54.000 0.277 0.000 0.864 22 D CB -0.156 40.766 40.800 0.202 0.000 0.933 22 D HN 0.010 nan 8.370 nan 0.000 0.499 23 S N -0.474 115.408 115.700 0.303 0.000 3.748 23 S HA -0.181 4.289 4.470 -0.000 0.000 0.329 23 S C 1.089 175.892 174.600 0.339 0.000 1.104 23 S CA 0.248 58.652 58.200 0.339 0.000 0.954 23 S CB -1.293 62.148 63.200 0.401 0.000 0.910 23 S HN 0.257 nan 8.310 nan 0.000 0.494 24 N N 1.783 120.644 118.700 0.268 0.000 2.142 24 N HA -0.015 4.725 4.740 -0.000 0.000 0.186 24 N C 0.887 176.606 175.510 0.349 0.000 1.023 24 N CA 1.209 54.448 53.050 0.316 0.000 0.852 24 N CB -0.393 38.274 38.487 0.299 0.000 0.998 24 N HN 0.669 nan 8.380 nan 0.000 0.424 25 N N -1.145 117.692 118.700 0.228 0.000 2.735 25 N HA -0.235 4.505 4.740 -0.000 0.000 0.248 25 N C -1.229 174.514 175.510 0.388 0.000 1.083 25 N CA 0.446 53.665 53.050 0.282 0.000 0.703 25 N CB -1.549 37.126 38.487 0.314 0.000 1.005 25 N HN 0.256 nan 8.380 nan 0.000 0.550 26 F N 0.084 120.131 119.950 0.162 0.000 2.482 26 F HA 0.608 5.135 4.527 -0.000 0.000 0.331 26 F C 0.139 176.016 175.800 0.129 0.000 1.115 26 F CA -0.776 57.324 58.000 0.167 0.000 0.955 26 F CB 1.660 40.735 39.000 0.125 0.000 1.136 26 F HN -0.087 nan 8.300 nan 0.000 0.452 27 S N 3.817 119.117 115.700 -0.666 0.000 2.503 27 S HA 0.308 4.777 4.470 -0.000 0.000 0.301 27 S C 0.135 174.371 174.600 -0.607 0.000 1.087 27 S CA -0.706 57.264 58.200 -0.383 0.000 1.042 27 S CB 1.035 64.161 63.200 -0.124 0.000 1.043 27 S HN 0.760 nan 8.310 nan 0.000 0.489 28 D N 2.690 122.975 120.400 -0.192 0.000 2.349 28 D HA 0.108 4.748 4.640 -0.000 0.000 0.215 28 D C 0.353 176.621 176.300 -0.053 0.000 1.016 28 D CA 0.307 54.277 54.000 -0.049 0.000 0.870 28 D CB 0.149 40.996 40.800 0.080 0.000 0.917 28 D HN 0.474 nan 8.370 nan 0.000 0.524 29 L N 1.542 122.722 121.223 -0.073 0.000 2.490 29 L HA -0.005 4.335 4.340 -0.000 0.000 0.274 29 L C 1.404 178.238 176.870 -0.060 0.000 1.201 29 L CA 0.618 55.427 54.840 -0.052 0.000 0.869 29 L CB 0.484 42.512 42.059 -0.051 0.000 1.123 29 L HN -0.062 nan 8.230 nan 0.000 0.484 30 K N 2.822 123.198 120.400 -0.041 0.000 2.706 30 K HA 0.084 4.404 4.320 -0.000 0.000 0.203 30 K C 0.743 177.317 176.600 -0.044 0.000 1.102 30 K CA -0.303 55.964 56.287 -0.034 0.000 1.058 30 K CB 0.483 32.976 32.500 -0.012 0.000 0.779 30 K HN 0.564 nan 8.250 nan 0.000 0.483 31 Q N 1.299 121.061 119.800 -0.063 0.000 2.050 31 Q HA 0.021 4.361 4.340 -0.000 0.000 0.202 31 Q C 0.200 176.149 176.000 -0.085 0.000 0.980 31 Q CA 1.040 56.796 55.803 -0.079 0.000 0.840 31 Q CB 0.143 28.817 28.738 -0.108 0.000 0.898 31 Q HN 0.447 nan 8.270 nan 0.000 0.424 32 I N 2.481 122.997 120.570 -0.090 0.000 2.297 32 I HA 0.163 4.333 4.170 -0.000 0.000 0.291 32 I C -0.637 175.454 176.117 -0.044 0.000 1.033 32 I CA -0.641 60.608 61.300 -0.085 0.000 1.253 32 I CB 0.779 38.723 38.000 -0.094 0.000 1.396 32 I HN 0.302 nan 8.210 nan 0.000 0.476 33 N N 4.601 123.266 118.700 -0.058 0.000 2.761 33 N HA 0.345 5.085 4.740 -0.000 0.000 0.283 33 N C 0.360 175.826 175.510 -0.074 0.000 1.377 33 N CA -1.150 51.870 53.050 -0.050 0.000 0.791 33 N CB 0.702 39.167 38.487 -0.036 0.000 1.540 33 N HN 0.400 nan 8.380 nan 0.000 0.539 34 K N -1.565 118.793 120.400 -0.070 0.000 2.281 34 K HA -0.048 4.271 4.320 -0.000 0.000 0.203 34 K C 1.300 177.863 176.600 -0.063 0.000 1.046 34 K CA 1.484 57.722 56.287 -0.081 0.000 0.938 34 K CB -0.556 31.899 32.500 -0.075 0.000 0.737 34 K HN 0.617 nan 8.250 nan 0.000 0.458 35 G N 1.877 110.647 108.800 -0.050 0.000 2.572 35 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.216 35 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.216 35 G C 0.902 175.776 174.900 -0.043 0.000 1.133 35 G CA 0.516 45.593 45.100 -0.039 0.000 0.791 35 G HN 0.612 nan 8.290 nan 0.000 0.538 36 N N -0.583 118.080 118.700 -0.063 0.000 2.167 36 N HA 0.008 4.748 4.740 -0.000 0.000 0.234 36 N C 1.403 176.842 175.510 -0.119 0.000 1.312 36 N CA 0.519 53.527 53.050 -0.070 0.000 0.861 36 N CB -0.094 38.353 38.487 -0.065 0.000 1.217 36 N HN 0.062 nan 8.380 nan 0.000 0.504 37 V N 0.230 120.049 119.914 -0.158 0.000 2.469 37 V HA -0.282 3.838 4.120 -0.000 0.000 0.251 37 V C 1.878 177.742 176.094 -0.384 0.000 1.064 37 V CA 1.947 64.056 62.300 -0.319 0.000 1.066 37 V CB -1.080 30.542 31.823 -0.334 0.000 0.667 37 V HN 0.218 nan 8.190 nan 0.000 0.461 38 K N 1.415 121.760 120.400 -0.092 0.000 2.286 38 K HA -0.219 4.101 4.320 -0.000 0.000 0.203 38 K C 1.827 178.499 176.600 0.120 0.000 1.045 38 K CA 1.486 57.849 56.287 0.126 0.000 0.935 38 K CB -0.681 31.892 32.500 0.123 0.000 0.737 38 K HN 0.572 nan 8.250 nan 0.000 0.460 39 Q N 0.258 120.054 119.800 -0.006 0.000 2.403 39 Q HA 0.193 4.532 4.340 -0.000 0.000 0.203 39 Q C -0.241 175.764 176.000 0.008 0.000 0.932 39 Q CA -0.131 55.688 55.803 0.026 0.000 0.945 39 Q CB 0.254 28.988 28.738 -0.008 0.000 1.045 39 Q HN 0.277 nan 8.270 nan 0.000 0.511 40 L N 1.812 122.959 121.223 -0.126 0.000 2.477 40 L HA 0.156 4.496 4.340 -0.000 0.000 0.272 40 L C -0.211 176.823 176.870 0.273 0.000 1.157 40 L CA 0.324 55.071 54.840 -0.156 0.000 0.889 40 L CB 0.356 41.906 42.059 -0.848 0.000 1.158 40 L HN 0.085 nan 8.230 nan 0.000 0.473 41 R N 4.330 124.976 120.500 0.244 0.000 2.774 41 R HA 0.483 4.823 4.340 -0.000 0.000 0.272 41 R C -2.629 173.663 176.300 -0.014 0.000 1.000 41 R CA -1.781 54.447 56.100 0.215 0.000 0.906 41 R CB 1.866 32.250 30.300 0.140 0.000 1.227 41 R HN 0.222 nan 8.270 nan 0.000 0.468 42 P HA 0.089 nan 4.420 nan 0.000 0.268 42 P C -0.704 176.457 177.300 -0.233 0.000 1.204 42 P CA 0.335 63.037 63.100 -0.662 0.000 0.768 42 P CB 1.127 32.381 31.700 -0.744 0.000 0.842 43 A N 4.043 126.761 122.820 -0.171 0.000 2.035 43 A HA 0.255 4.575 4.320 -0.000 0.000 0.208 43 A C -0.094 177.636 177.584 0.243 0.000 1.206 43 A CA 0.502 52.592 52.037 0.087 0.000 0.773 43 A CB 0.013 19.165 19.000 0.253 0.000 0.878 43 A HN 0.707 nan 8.150 nan 0.000 0.469 44 W N -1.667 119.589 121.300 -0.073 0.000 3.173 44 W HA 0.493 5.153 4.660 -0.000 0.000 0.313 44 W C -1.279 175.211 176.519 -0.048 0.000 1.228 44 W CA -0.061 57.271 57.345 -0.021 0.000 1.185 44 W CB -0.156 29.330 29.460 0.044 0.000 1.390 44 W HN 0.296 nan 8.180 nan 0.000 0.568 45 T N -0.474 114.288 114.554 0.347 0.000 2.865 45 T HA 0.840 5.190 4.350 -0.000 0.000 0.294 45 T C -1.723 173.245 174.700 0.448 0.000 1.119 45 T CA -0.626 61.605 62.100 0.218 0.000 1.007 45 T CB 3.090 72.018 68.868 0.100 0.000 1.225 45 T HN 0.846 nan 8.240 nan 0.000 0.515 46 F N 0.715 120.761 119.950 0.160 0.000 2.630 46 F HA 0.616 5.143 4.527 -0.000 0.000 0.325 46 F C -0.689 175.099 175.800 -0.020 0.000 1.184 46 F CA -0.491 57.563 58.000 0.090 0.000 1.011 46 F CB 1.961 41.047 39.000 0.144 0.000 1.268 46 F HN 0.813 nan 8.300 nan 0.000 0.480 47 S N 2.652 117.924 115.700 -0.713 0.000 2.525 47 S HA 0.339 4.809 4.470 -0.000 0.000 0.278 47 S C 1.067 175.024 174.600 -1.071 0.000 1.234 47 S CA 0.200 58.025 58.200 -0.625 0.000 1.058 47 S CB 1.192 64.177 63.200 -0.358 0.000 0.983 47 S HN 0.848 nan 8.310 nan 0.000 0.495 48 T N 1.438 115.644 114.554 -0.581 0.000 3.067 48 T HA 0.247 4.596 4.350 -0.000 0.000 0.261 48 T C 1.484 176.071 174.700 -0.188 0.000 1.110 48 T CA 0.725 62.633 62.100 -0.319 0.000 1.113 48 T CB -0.495 68.423 68.868 0.084 0.000 0.917 48 T HN 1.568 nan 8.240 nan 0.000 0.499 49 G N 0.960 109.630 108.800 -0.216 0.000 2.143 49 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.249 49 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.249 49 G C -0.160 174.733 174.900 -0.012 0.000 0.981 49 G CA 0.327 45.365 45.100 -0.104 0.000 0.665 49 G HN 0.639 nan 8.290 nan 0.000 0.528 50 L N -0.811 120.425 121.223 0.021 0.000 2.350 50 L HA 0.749 5.089 4.340 -0.000 0.000 0.260 50 L C 0.764 177.690 176.870 0.094 0.000 1.015 50 L CA -1.264 53.626 54.840 0.083 0.000 0.821 50 L CB 1.907 44.049 42.059 0.138 0.000 1.370 50 L HN 0.032 nan 8.230 nan 0.000 0.416 51 L N 0.083 121.357 121.223 0.085 0.000 2.793 51 L HA 0.596 4.936 4.340 -0.000 0.000 0.242 51 L C -0.222 176.717 176.870 0.116 0.000 1.315 51 L CA -0.849 54.025 54.840 0.057 0.000 1.263 51 L CB 0.569 42.628 42.059 -0.001 0.000 2.076 51 L HN 0.711 nan 8.230 nan 0.000 0.575 52 N N -0.895 117.829 118.700 0.041 0.000 5.971 52 N HA -0.140 4.600 4.740 -0.000 0.000 0.390 52 N C -0.410 175.185 175.510 0.141 0.000 1.130 52 N CA 0.768 53.837 53.050 0.032 0.000 2.259 52 N CB -0.487 38.023 38.487 0.037 0.000 0.654 52 N HN 0.856 nan 8.380 nan 0.000 0.614 53 G N 0.433 109.291 108.800 0.095 0.000 2.340 53 G HA2 0.113 4.073 3.960 -0.000 0.000 0.245 53 G HA3 0.113 4.073 3.960 -0.000 0.000 0.245 53 G C -0.238 174.725 174.900 0.105 0.000 1.294 53 G CA 0.087 45.272 45.100 0.142 0.000 0.896 53 G HN 0.532 nan 8.290 nan 0.000 0.522 54 H N 2.812 121.890 119.070 0.013 0.000 2.700 54 H HA 0.193 4.749 4.556 -0.000 0.000 0.269 54 H C 0.156 175.559 175.328 0.125 0.000 1.222 54 H CA -0.212 55.779 56.048 -0.094 0.000 1.254 54 H CB 0.942 30.510 29.762 -0.323 0.000 1.413 54 H HN 0.612 nan 8.280 nan 0.000 0.507 55 E N 0.979 121.341 120.200 0.270 0.000 2.292 55 E HA 0.421 4.771 4.350 -0.000 0.000 0.258 55 E C 0.769 177.770 176.600 0.668 0.000 1.115 55 E CA -0.237 56.454 56.400 0.485 0.000 0.929 55 E CB 1.429 31.422 29.700 0.487 0.000 1.161 55 E HN 0.748 nan 8.360 nan 0.000 0.453 56 G N -0.076 109.146 108.800 0.703 0.000 2.562 56 G HA2 0.036 3.996 3.960 -0.000 0.000 0.250 56 G HA3 0.036 3.996 3.960 -0.000 0.000 0.250 56 G C -0.737 174.248 174.900 0.141 0.000 1.269 56 G CA -0.377 45.124 45.100 0.668 0.000 0.919 56 G HN 0.943 nan 8.290 nan 0.000 0.574 57 A N -0.319 122.480 122.820 -0.035 0.000 2.610 57 A HA 0.915 5.234 4.320 -0.000 0.000 0.291 57 A C -2.858 174.551 177.584 -0.291 0.000 1.086 57 A CA -0.028 51.615 52.037 -0.657 0.000 0.677 57 A CB 1.767 20.053 19.000 -1.191 0.000 1.278 57 A HN 1.060 nan 8.150 nan 0.000 0.414 58 P HA 0.529 nan 4.420 nan 0.000 0.276 58 P C -0.907 176.338 177.300 -0.092 0.000 1.252 58 P CA -0.178 62.849 63.100 -0.123 0.000 0.802 58 P CB 0.715 32.288 31.700 -0.212 0.000 1.035 59 L N 0.460 121.731 121.223 0.079 0.000 2.331 59 L HA 0.542 4.882 4.340 -0.000 0.000 0.275 59 L C -0.166 176.738 176.870 0.057 0.000 1.022 59 L CA -1.165 53.758 54.840 0.140 0.000 0.812 59 L CB 1.972 44.148 42.059 0.194 0.000 1.257 59 L HN 0.066 nan 8.230 nan 0.000 0.435 60 V N 3.239 123.158 119.914 0.008 0.000 2.443 60 V HA 0.546 4.666 4.120 -0.000 0.000 0.293 60 V C -0.556 175.506 176.094 -0.054 0.000 1.021 60 V CA -0.489 61.729 62.300 -0.137 0.000 0.848 60 V CB 2.145 33.693 31.823 -0.457 0.000 0.998 60 V HN 0.461 nan 8.190 nan 0.000 0.424 61 V N 3.005 122.895 119.914 -0.040 0.000 2.711 61 V HA 0.492 4.612 4.120 -0.000 0.000 0.304 61 V C -0.059 176.021 176.094 -0.023 0.000 1.097 61 V CA -0.678 61.552 62.300 -0.117 0.000 0.906 61 V CB 1.683 33.196 31.823 -0.516 0.000 1.015 61 V HN 0.922 nan 8.190 nan 0.000 0.427 62 D N 3.559 123.958 120.400 -0.002 0.000 2.746 62 D HA -0.112 4.527 4.640 -0.000 0.000 0.236 62 D C 1.172 177.499 176.300 0.046 0.000 1.129 62 D CA 2.153 56.179 54.000 0.043 0.000 0.691 62 D CB -1.044 39.800 40.800 0.073 0.000 1.077 62 D HN 1.971 nan 8.370 nan 0.000 0.432 63 G N -0.281 108.548 108.800 0.047 0.000 2.153 63 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.252 63 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.252 63 G C 0.250 175.090 174.900 -0.100 0.000 0.994 63 G CA 0.791 45.923 45.100 0.053 0.000 0.698 63 G HN 0.618 nan 8.290 nan 0.000 0.521 64 K N -0.770 119.533 120.400 -0.162 0.000 2.375 64 K HA 0.705 5.025 4.320 -0.000 0.000 0.249 64 K C -0.247 176.081 176.600 -0.454 0.000 0.942 64 K CA -0.897 55.177 56.287 -0.354 0.000 0.806 64 K CB 2.110 34.354 32.500 -0.427 0.000 1.227 64 K HN 0.178 nan 8.250 nan 0.000 0.430 65 M N 2.679 121.946 119.600 -0.554 0.000 2.364 65 M HA 0.390 4.870 4.480 -0.000 0.000 0.334 65 M C -1.743 174.203 176.300 -0.590 0.000 1.107 65 M CA -0.637 54.400 55.300 -0.439 0.000 0.988 65 M CB 0.913 33.337 32.600 -0.294 0.000 1.673 65 M HN 0.558 nan 8.290 nan 0.000 0.441 66 Y N 4.857 125.071 120.300 -0.144 0.000 2.335 66 Y HA 0.566 5.115 4.550 -0.000 0.000 0.338 66 Y C -0.716 175.199 175.900 0.024 0.000 0.977 66 Y CA -0.518 57.521 58.100 -0.101 0.000 1.114 66 Y CB 1.301 39.744 38.460 -0.028 0.000 1.182 66 Y HN 0.551 nan 8.280 nan 0.000 0.463 67 I N 4.481 125.148 120.570 0.162 0.000 2.530 67 I HA 0.309 4.479 4.170 -0.000 0.000 0.297 67 I C -0.367 175.966 176.117 0.359 0.000 1.011 67 I CA -0.581 60.902 61.300 0.305 0.000 1.107 67 I CB 1.277 39.412 38.000 0.224 0.000 1.285 67 I HN 0.631 nan 8.210 nan 0.000 0.436 68 H N 2.887 122.120 119.070 0.271 0.000 2.731 68 H HA 0.798 5.354 4.556 -0.000 0.000 0.368 68 H C -1.073 174.258 175.328 0.005 0.000 1.168 68 H CA -0.700 55.435 56.048 0.146 0.000 1.181 68 H CB 1.804 31.664 29.762 0.164 0.000 1.743 68 H HN 0.592 nan 8.280 nan 0.000 0.547 69 T N -1.021 113.467 114.554 -0.111 0.000 2.724 69 T HA 0.479 4.829 4.350 -0.000 0.000 0.274 69 T C 0.203 174.726 174.700 -0.295 0.000 0.984 69 T CA -0.425 61.472 62.100 -0.338 0.000 1.024 69 T CB 0.863 69.701 68.868 -0.050 0.000 1.320 69 T HN 0.803 nan 8.240 nan 0.000 0.555 70 S N -0.042 115.404 115.700 -0.423 0.000 2.661 70 S HA 0.512 4.982 4.470 -0.000 0.000 0.265 70 S C -0.022 174.601 174.600 0.037 0.000 1.225 70 S CA -0.938 57.174 58.200 -0.148 0.000 0.986 70 S CB -0.307 62.808 63.200 -0.142 0.000 1.008 70 S HN 0.717 nan 8.310 nan 0.000 0.565 71 F N 3.165 123.108 119.950 -0.013 0.000 2.635 71 F HA 0.183 4.710 4.527 -0.000 0.000 0.379 71 F C -1.271 174.540 175.800 0.019 0.000 1.094 71 F CA -1.467 56.543 58.000 0.017 0.000 1.300 71 F CB 0.534 39.557 39.000 0.039 0.000 1.035 71 F HN 0.391 nan 8.300 nan 0.000 0.581 72 P HA -0.065 nan 4.420 nan 0.000 0.259 72 P C -1.062 176.029 177.300 -0.348 0.000 1.480 72 P CA 0.229 62.742 63.100 -0.979 0.000 0.842 72 P CB -0.283 30.903 31.700 -0.858 0.000 1.513 73 N N 0.190 118.808 118.700 -0.136 0.000 2.648 73 N HA -0.109 4.631 4.740 -0.000 0.000 0.265 73 N C -0.493 174.978 175.510 -0.065 0.000 1.100 73 N CA 0.779 53.809 53.050 -0.034 0.000 0.715 73 N CB -1.716 36.789 38.487 0.029 0.000 0.881 73 N HN 0.383 nan 8.380 nan 0.000 0.548 74 N N 0.662 119.305 118.700 -0.095 0.000 2.463 74 N HA 0.441 5.181 4.740 -0.000 0.000 0.270 74 N C 0.280 175.642 175.510 -0.246 0.000 1.205 74 N CA 0.238 53.157 53.050 -0.217 0.000 0.974 74 N CB 0.908 39.208 38.487 -0.312 0.000 1.197 74 N HN 0.135 nan 8.380 nan 0.000 0.504 75 T N 0.912 115.236 114.554 -0.383 0.000 2.886 75 T HA 0.610 4.959 4.350 -0.000 0.000 0.292 75 T C -0.873 173.488 174.700 -0.566 0.000 1.012 75 T CA -0.388 61.577 62.100 -0.225 0.000 0.982 75 T CB 0.499 69.435 68.868 0.114 0.000 1.018 75 T HN 0.203 nan 8.240 nan 0.000 0.451 76 F N 1.022 120.891 119.950 -0.134 0.000 2.563 76 F HA 0.750 5.277 4.527 -0.000 0.000 0.316 76 F C 0.121 175.519 175.800 -0.670 0.000 1.076 76 F CA -1.118 56.673 58.000 -0.348 0.000 0.921 76 F CB 1.818 40.684 39.000 -0.224 0.000 1.209 76 F HN 0.663 nan 8.300 nan 0.000 0.462 77 A N 3.795 126.122 122.820 -0.822 0.000 2.330 77 A HA 0.893 5.213 4.320 -0.000 0.000 0.313 77 A C -1.374 175.801 177.584 -0.681 0.000 1.124 77 A CA -0.585 50.837 52.037 -1.026 0.000 0.774 77 A CB 0.800 18.841 19.000 -1.597 0.000 1.198 77 A HN 0.770 nan 8.150 nan 0.000 0.465 78 L N 2.271 123.120 121.223 -0.623 0.000 2.365 78 L HA 0.649 4.989 4.340 -0.000 0.000 0.273 78 L C 0.715 177.318 176.870 -0.446 0.000 1.000 78 L CA -0.916 53.635 54.840 -0.483 0.000 0.819 78 L CB 2.222 43.980 42.059 -0.502 0.000 1.284 78 L HN 0.805 nan 8.230 nan 0.000 0.418 79 G N 1.715 110.303 108.800 -0.353 0.000 2.355 79 G HA2 0.344 4.304 3.960 -0.000 0.000 0.276 79 G HA3 0.344 4.304 3.960 -0.000 0.000 0.276 79 G C 0.681 175.351 174.900 -0.384 0.000 1.198 79 G CA -0.484 44.437 45.100 -0.299 0.000 0.876 79 G HN 0.487 nan 8.290 nan 0.000 0.478 80 L N 1.920 122.893 121.223 -0.417 0.000 2.261 80 L HA -0.044 4.296 4.340 -0.000 0.000 0.216 80 L C 2.084 178.588 176.870 -0.610 0.000 1.114 80 L CA 1.269 55.736 54.840 -0.621 0.000 0.777 80 L CB -0.157 41.358 42.059 -0.907 0.000 0.910 80 L HN 0.474 nan 8.230 nan 0.000 0.440 81 D N -1.267 118.936 120.400 -0.328 0.000 2.323 81 D HA -0.039 4.601 4.640 -0.000 0.000 0.209 81 D C 0.306 176.415 176.300 -0.317 0.000 0.973 81 D CA 0.660 54.549 54.000 -0.185 0.000 0.874 81 D CB 0.376 41.162 40.800 -0.024 0.000 0.930 81 D HN 0.227 nan 8.370 nan 0.000 0.521 82 D N -1.004 119.184 120.400 -0.352 0.000 2.934 82 D HA 0.123 4.762 4.640 -0.000 0.000 0.249 82 D C -2.200 173.915 176.300 -0.308 0.000 1.293 82 D CA -1.391 52.438 54.000 -0.286 0.000 0.812 82 D CB 1.142 41.879 40.800 -0.105 0.000 1.439 82 D HN -0.204 nan 8.370 nan 0.000 0.555 83 P HA 0.013 nan 4.420 nan 0.000 0.221 83 P C 1.500 178.596 177.300 -0.340 0.000 1.145 83 P CA 0.862 63.532 63.100 -0.717 0.000 0.795 83 P CB 0.314 31.005 31.700 -1.682 0.000 0.775 84 G N -1.062 107.688 108.800 -0.084 0.000 2.448 84 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.219 84 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.219 84 G C 0.505 175.387 174.900 -0.029 0.000 1.127 84 G CA 0.651 45.739 45.100 -0.020 0.000 0.766 84 G HN 0.243 nan 8.290 nan 0.000 0.552 85 T N 1.425 115.945 114.554 -0.056 0.000 2.743 85 T HA 0.448 4.798 4.350 -0.000 0.000 0.293 85 T C 0.188 174.844 174.700 -0.073 0.000 0.945 85 T CA -0.274 61.802 62.100 -0.039 0.000 1.030 85 T CB 1.585 70.437 68.868 -0.027 0.000 0.912 85 T HN 0.025 nan 8.240 nan 0.000 0.483 86 I N 5.039 125.597 120.570 -0.020 0.000 2.363 86 I HA 0.026 4.196 4.170 -0.000 0.000 0.292 86 I C 0.942 177.053 176.117 -0.010 0.000 1.075 86 I CA -0.590 60.696 61.300 -0.023 0.000 1.333 86 I CB 0.861 38.923 38.000 0.104 0.000 1.415 86 I HN 0.479 nan 8.210 nan 0.000 0.502 87 L N 7.846 129.011 121.223 -0.095 0.000 1.994 87 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 87 L C 0.523 177.493 176.870 0.166 0.000 1.071 87 L CA 1.653 56.485 54.840 -0.014 0.000 0.745 87 L CB -0.561 41.431 42.059 -0.111 0.000 0.892 87 L HN 0.663 nan 8.230 nan 0.000 0.431 88 W N -0.936 120.393 121.300 0.049 0.000 3.066 88 W HA 0.553 5.213 4.660 -0.000 0.000 0.330 88 W C -1.532 175.035 176.519 0.081 0.000 1.253 88 W CA -1.001 56.380 57.345 0.060 0.000 1.187 88 W CB 0.794 30.280 29.460 0.044 0.000 1.434 88 W HN 0.122 nan 8.180 nan 0.000 0.572 89 Q N 1.358 121.437 119.800 0.465 0.000 2.345 89 Q HA 0.457 4.797 4.340 -0.000 0.000 0.275 89 Q C -2.139 173.996 176.000 0.223 0.000 1.063 89 Q CA -0.738 55.183 55.803 0.197 0.000 0.819 89 Q CB 3.275 32.092 28.738 0.131 0.000 1.356 89 Q HN 0.354 nan 8.270 nan 0.000 0.418 90 D N 1.510 121.970 120.400 0.101 0.000 2.408 90 D HA 0.291 4.930 4.640 -0.000 0.000 0.243 90 D C -1.276 174.971 176.300 -0.089 0.000 1.075 90 D CA -0.438 53.594 54.000 0.054 0.000 0.832 90 D CB 1.178 42.049 40.800 0.118 0.000 1.162 90 D HN 0.391 nan 8.370 nan 0.000 0.515 91 K N 4.765 125.123 120.400 -0.070 0.000 2.530 91 K HA 0.359 4.678 4.320 -0.000 0.000 0.230 91 K C -2.431 174.121 176.600 -0.079 0.000 1.002 91 K CA -1.702 54.530 56.287 -0.092 0.000 1.014 91 K CB 1.571 34.034 32.500 -0.061 0.000 1.286 91 K HN 0.328 nan 8.250 nan 0.000 0.480 92 P HA -0.031 nan 4.420 nan 0.000 0.265 92 P C -1.008 176.234 177.300 -0.097 0.000 1.193 92 P CA -0.079 62.969 63.100 -0.087 0.000 0.765 92 P CB 0.494 32.140 31.700 -0.091 0.000 0.823 93 K N 3.228 123.592 120.400 -0.060 0.000 2.264 93 K HA 0.303 4.623 4.320 -0.000 0.000 0.277 93 K C 0.039 176.627 176.600 -0.020 0.000 1.067 93 K CA -0.458 55.802 56.287 -0.045 0.000 0.900 93 K CB 0.950 33.437 32.500 -0.021 0.000 1.124 93 K HN 0.446 nan 8.250 nan 0.000 0.469 94 Q N 1.365 121.157 119.800 -0.014 0.000 2.387 94 Q HA 0.232 4.572 4.340 -0.000 0.000 0.273 94 Q C -0.705 175.387 176.000 0.153 0.000 1.089 94 Q CA -1.248 54.604 55.803 0.082 0.000 0.824 94 Q CB 1.688 30.517 28.738 0.153 0.000 1.367 94 Q HN 0.370 nan 8.270 nan 0.000 0.443 95 N N 2.896 121.688 118.700 0.154 0.000 2.452 95 N HA 0.036 4.776 4.740 -0.000 0.000 0.266 95 N C -1.637 173.986 175.510 0.187 0.000 1.209 95 N CA -1.320 51.809 53.050 0.130 0.000 0.929 95 N CB 0.863 39.397 38.487 0.078 0.000 1.063 95 N HN 0.392 nan 8.380 nan 0.000 0.472 96 P HA -0.150 nan 4.420 nan 0.000 0.221 96 P C 0.750 178.066 177.300 0.027 0.000 1.145 96 P CA 0.864 64.064 63.100 0.167 0.000 0.795 96 P CB 0.154 31.934 31.700 0.133 0.000 0.775 97 A N 0.772 123.602 122.820 0.016 0.000 2.024 97 A HA -0.055 4.265 4.320 -0.000 0.000 0.220 97 A C 2.485 180.022 177.584 -0.077 0.000 1.164 97 A CA 1.744 53.766 52.037 -0.026 0.000 0.643 97 A CB -1.361 17.631 19.000 -0.012 0.000 0.806 97 A HN 0.248 nan 8.150 nan 0.000 0.451 98 A N 0.171 122.935 122.820 -0.095 0.000 1.986 98 A HA -0.234 4.086 4.320 -0.000 0.000 0.220 98 A C 2.198 179.611 177.584 -0.287 0.000 1.171 98 A CA 1.697 53.634 52.037 -0.167 0.000 0.640 98 A CB -0.483 18.432 19.000 -0.142 0.000 0.811 98 A HN 0.609 nan 8.150 nan 0.000 0.451 99 R N -0.620 119.650 120.500 -0.383 0.000 2.096 99 R HA -0.078 4.262 4.340 -0.000 0.000 0.235 99 R C 2.353 178.549 176.300 -0.174 0.000 1.127 99 R CA 1.181 57.076 56.100 -0.341 0.000 0.968 99 R CB -0.473 29.662 30.300 -0.276 0.000 0.861 99 R HN 0.505 nan 8.270 nan 0.000 0.440 100 A N 0.878 123.628 122.820 -0.117 0.000 2.121 100 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 100 A C 1.949 179.537 177.584 0.007 0.000 1.154 100 A CA 1.363 53.369 52.037 -0.052 0.000 0.679 100 A CB -0.142 18.837 19.000 -0.036 0.000 0.795 100 A HN 0.255 nan 8.150 nan 0.000 0.458 101 V N -4.345 115.526 119.914 -0.072 0.000 3.376 101 V HA 0.655 4.775 4.120 -0.000 0.000 0.313 101 V C 0.713 176.742 176.094 -0.108 0.000 1.393 101 V CA -0.137 62.072 62.300 -0.152 0.000 1.125 101 V CB -0.790 30.908 31.823 -0.207 0.000 1.037 101 V HN 0.502 nan 8.190 nan 0.000 0.440 102 A N 0.406 123.207 122.820 -0.032 0.000 2.309 102 A HA 0.465 4.784 4.320 -0.000 0.000 0.290 102 A C 1.374 179.007 177.584 0.081 0.000 1.206 102 A CA 0.231 52.250 52.037 -0.030 0.000 0.850 102 A CB 0.343 19.302 19.000 -0.068 0.000 1.118 102 A HN 0.910 nan 8.150 nan 0.000 0.523 103 C N 1.119 120.475 119.300 0.093 0.000 2.440 103 C HA 0.051 4.511 4.460 -0.000 0.000 0.278 103 C C 1.526 176.445 174.990 -0.119 0.000 1.295 103 C CA 0.574 59.663 59.018 0.118 0.000 1.738 103 C CB -1.951 25.800 27.740 0.018 0.000 1.987 103 C HN 0.735 nan 8.230 nan 0.000 0.492 104 C N -0.274 118.952 119.300 -0.123 0.000 3.036 104 C HA 0.556 5.015 4.460 -0.000 0.000 0.227 104 C C 0.494 175.519 174.990 0.058 0.000 2.998 104 C CA -0.049 58.911 59.018 -0.097 0.000 1.926 104 C CB -0.239 27.385 27.740 -0.194 0.000 3.074 104 C HN 0.527 nan 8.230 nan 0.000 0.408 105 D N -0.232 120.254 120.400 0.143 0.000 2.451 105 D HA 0.305 4.944 4.640 -0.000 0.000 0.259 105 D C -0.344 176.051 176.300 0.157 0.000 1.201 105 D CA -0.263 53.884 54.000 0.245 0.000 1.028 105 D CB 0.352 41.273 40.800 0.201 0.000 1.095 105 D HN 0.389 nan 8.370 nan 0.000 0.539 106 L N 1.470 122.798 121.223 0.176 0.000 2.934 106 L HA 0.244 4.584 4.340 -0.000 0.000 0.233 106 L C 0.261 177.211 176.870 0.133 0.000 1.358 106 L CA -0.458 54.460 54.840 0.129 0.000 1.233 106 L CB -0.001 42.157 42.059 0.166 0.000 1.594 106 L HN 0.021 nan 8.230 nan 0.000 0.439 107 V N 0.866 120.851 119.914 0.118 0.000 3.036 107 V HA 0.375 4.495 4.120 -0.000 0.000 0.308 107 V C -0.026 176.157 176.094 0.148 0.000 1.070 107 V CA -0.412 61.965 62.300 0.128 0.000 1.056 107 V CB 1.991 33.914 31.823 0.167 0.000 1.084 107 V HN 0.597 nan 8.190 nan 0.000 0.471 108 N N 2.326 121.141 118.700 0.193 0.000 2.406 108 N HA 0.355 5.095 4.740 -0.000 0.000 0.283 108 N C 0.071 175.787 175.510 0.344 0.000 1.074 108 N CA -0.582 52.608 53.050 0.232 0.000 0.916 108 N CB 2.041 40.672 38.487 0.241 0.000 1.639 108 N HN 0.530 nan 8.380 nan 0.000 0.485 109 R N 1.274 121.924 120.500 0.248 0.000 2.299 109 R HA 0.261 4.601 4.340 -0.000 0.000 0.197 109 R C 0.825 177.279 176.300 0.257 0.000 0.971 109 R CA 0.422 56.712 56.100 0.316 0.000 1.030 109 R CB 0.226 30.566 30.300 0.067 0.000 0.932 109 R HN 0.695 nan 8.270 nan 0.000 0.477 110 G N -0.212 108.491 108.800 -0.161 0.000 2.359 110 G HA2 0.070 4.029 3.960 -0.000 0.000 0.314 110 G HA3 0.070 4.029 3.960 -0.000 0.000 0.314 110 G C -1.487 173.302 174.900 -0.184 0.000 1.364 110 G CA -1.077 43.762 45.100 -0.434 0.000 0.978 110 G HN -0.034 nan 8.290 nan 0.000 0.615 111 L N -0.002 121.185 121.223 -0.061 0.000 2.332 111 L HA 0.889 5.228 4.340 -0.000 0.000 0.269 111 L C 0.759 177.722 176.870 0.155 0.000 1.016 111 L CA -0.738 54.141 54.840 0.066 0.000 0.809 111 L CB 1.816 43.940 42.059 0.107 0.000 1.280 111 L HN 1.140 nan 8.230 nan 0.000 0.447 112 A N 0.607 123.511 122.820 0.140 0.000 2.469 112 A HA 0.684 5.004 4.320 -0.000 0.000 0.299 112 A C -2.009 175.682 177.584 0.178 0.000 1.098 112 A CA -0.390 51.746 52.037 0.165 0.000 0.737 112 A CB 1.584 20.669 19.000 0.141 0.000 1.312 112 A HN 0.619 nan 8.150 nan 0.000 0.414 113 Y N -0.225 120.091 120.300 0.026 0.000 2.425 113 Y HA 0.580 5.130 4.550 -0.000 0.000 0.344 113 Y C -1.507 174.456 175.900 0.106 0.000 0.969 113 Y CA -0.762 57.348 58.100 0.016 0.000 1.052 113 Y CB 1.662 40.098 38.460 -0.040 0.000 1.215 113 Y HN 0.832 nan 8.280 nan 0.000 0.451 114 W N 9.974 130.901 121.300 -0.622 0.000 2.471 114 W HA 0.493 5.153 4.660 -0.000 0.000 0.318 114 W C -2.398 173.635 176.519 -0.810 0.000 1.034 114 W CA -2.968 54.086 57.345 -0.484 0.000 1.224 114 W CB 1.942 31.258 29.460 -0.240 0.000 1.335 114 W HN 0.434 nan 8.180 nan 0.000 0.452 115 P HA 0.038 nan 4.420 nan 0.000 0.226 115 P C 0.448 177.197 177.300 -0.918 0.000 1.146 115 P CA 2.002 64.581 63.100 -0.869 0.000 0.773 115 P CB 0.065 31.468 31.700 -0.494 0.000 0.772 116 G N 0.250 108.017 108.800 -1.722 0.000 2.758 116 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.686 116 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.686 116 G C -0.427 173.908 174.900 -0.942 0.000 1.389 116 G CA -0.106 44.178 45.100 -1.361 0.000 0.845 116 G HN 0.282 nan 8.290 nan 0.000 0.572 117 D N -0.376 119.808 120.400 -0.361 0.000 3.435 117 D HA 0.572 5.212 4.640 -0.000 0.000 0.209 117 D C 1.842 178.122 176.300 -0.034 0.000 1.157 117 D CA 1.436 55.380 54.000 -0.095 0.000 1.322 117 D CB -0.472 40.415 40.800 0.144 0.000 0.924 117 D HN 1.269 nan 8.370 nan 0.000 0.180 118 G N -0.713 108.109 108.800 0.036 0.000 2.853 118 G HA2 0.006 3.966 3.960 -0.000 0.000 0.202 118 G HA3 0.006 3.966 3.960 -0.000 0.000 0.202 118 G C 1.347 176.274 174.900 0.044 0.000 1.118 118 G CA 0.545 45.662 45.100 0.027 0.000 0.831 118 G HN 0.475 nan 8.290 nan 0.000 0.613 119 K N 0.069 120.511 120.400 0.070 0.000 2.098 119 K HA 0.120 4.440 4.320 -0.000 0.000 0.203 119 K C 0.317 176.973 176.600 0.093 0.000 1.051 119 K CA 0.858 57.187 56.287 0.069 0.000 0.957 119 K CB -0.328 32.209 32.500 0.062 0.000 0.738 119 K HN 0.086 nan 8.250 nan 0.000 0.447 120 T N 4.602 119.251 114.554 0.158 0.000 2.806 120 T HA 0.266 4.616 4.350 -0.000 0.000 0.290 120 T C -2.420 172.403 174.700 0.205 0.000 0.966 120 T CA -1.588 60.642 62.100 0.217 0.000 1.060 120 T CB 1.591 70.660 68.868 0.335 0.000 0.927 120 T HN 0.182 nan 8.240 nan 0.000 0.485 121 P HA 0.358 nan 4.420 nan 0.000 0.276 121 P C -0.531 176.818 177.300 0.081 0.000 1.261 121 P CA -0.627 62.517 63.100 0.073 0.000 0.800 121 P CB 0.544 32.273 31.700 0.048 0.000 1.066 122 A N 1.365 124.168 122.820 -0.030 0.000 2.520 122 A HA 0.317 4.636 4.320 -0.000 0.000 0.235 122 A C 0.141 177.716 177.584 -0.015 0.000 1.065 122 A CA 0.323 52.277 52.037 -0.139 0.000 0.764 122 A CB -0.749 18.203 19.000 -0.080 0.000 1.002 122 A HN 0.499 nan 8.150 nan 0.000 0.502 123 L N 1.877 123.069 121.223 -0.053 0.000 2.371 123 L HA 0.505 4.845 4.340 -0.000 0.000 0.262 123 L C -0.707 176.145 176.870 -0.029 0.000 1.006 123 L CA -0.832 54.007 54.840 -0.003 0.000 0.818 123 L CB 1.821 43.919 42.059 0.064 0.000 1.354 123 L HN 0.473 nan 8.230 nan 0.000 0.415 124 I N 3.133 123.690 120.570 -0.023 0.000 2.354 124 I HA 0.419 4.589 4.170 -0.000 0.000 0.292 124 I C -0.411 175.671 176.117 -0.059 0.000 0.989 124 I CA -0.340 60.964 61.300 0.008 0.000 1.188 124 I CB 1.695 39.739 38.000 0.075 0.000 1.342 124 I HN 0.389 nan 8.210 nan 0.000 0.457 125 L N 7.678 128.881 121.223 -0.033 0.000 2.329 125 L HA 0.541 4.881 4.340 -0.000 0.000 0.279 125 L C -0.059 176.789 176.870 -0.038 0.000 1.014 125 L CA -0.411 54.372 54.840 -0.096 0.000 0.814 125 L CB 1.392 43.418 42.059 -0.056 0.000 1.257 125 L HN 0.552 nan 8.230 nan 0.000 0.424 126 K N 0.256 120.611 120.400 -0.076 0.000 2.502 126 K HA 0.745 5.065 4.320 -0.000 0.000 0.257 126 K C -1.071 175.514 176.600 -0.025 0.000 0.938 126 K CA -0.761 55.514 56.287 -0.021 0.000 0.819 126 K CB 1.983 34.483 32.500 -0.000 0.000 1.333 126 K HN 0.502 nan 8.250 nan 0.000 0.434 127 T N -0.399 114.167 114.554 0.019 0.000 2.943 127 T HA 0.387 4.737 4.350 -0.000 0.000 0.284 127 T C -0.319 174.411 174.700 0.049 0.000 1.015 127 T CA -0.793 61.326 62.100 0.031 0.000 1.042 127 T CB 1.411 70.312 68.868 0.056 0.000 1.055 127 T HN 0.625 nan 8.240 nan 0.000 0.500 128 Q N 0.871 120.706 119.800 0.057 0.000 2.377 128 Q HA 0.378 4.718 4.340 -0.000 0.000 0.271 128 Q C 0.532 176.605 176.000 0.121 0.000 1.077 128 Q CA -1.067 54.789 55.803 0.089 0.000 0.820 128 Q CB 2.362 31.141 28.738 0.067 0.000 1.347 128 Q HN 0.428 nan 8.270 nan 0.000 0.444 129 L N 2.350 123.689 121.223 0.193 0.000 2.127 129 L HA -0.162 4.178 4.340 -0.000 0.000 0.211 129 L C 1.249 178.182 176.870 0.105 0.000 1.089 129 L CA 2.230 57.163 54.840 0.155 0.000 0.757 129 L CB -0.571 41.607 42.059 0.198 0.000 0.899 129 L HN 0.887 nan 8.230 nan 0.000 0.434 130 D N -1.258 119.232 120.400 0.151 0.000 2.378 130 D HA 0.016 4.656 4.640 -0.000 0.000 0.227 130 D C 1.474 177.816 176.300 0.071 0.000 1.012 130 D CA 0.908 54.970 54.000 0.104 0.000 0.905 130 D CB -0.250 40.629 40.800 0.133 0.000 0.895 130 D HN 0.417 nan 8.370 nan 0.000 0.532 131 G N -0.388 108.453 108.800 0.068 0.000 2.176 131 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.232 131 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.232 131 G C 0.085 175.020 174.900 0.059 0.000 0.986 131 G CA -0.163 44.975 45.100 0.063 0.000 0.643 131 G HN 0.420 nan 8.290 nan 0.000 0.522 132 N N -0.166 118.562 118.700 0.048 0.000 2.515 132 N HA 0.552 5.292 4.740 -0.000 0.000 0.279 132 N C -0.230 175.283 175.510 0.006 0.000 1.164 132 N CA 0.091 53.157 53.050 0.026 0.000 0.982 132 N CB 2.025 40.523 38.487 0.018 0.000 1.170 132 N HN 0.106 nan 8.380 nan 0.000 0.474 133 V N 0.527 120.428 119.914 -0.021 0.000 2.604 133 V HA 0.761 4.881 4.120 -0.000 0.000 0.305 133 V C -0.270 175.747 176.094 -0.128 0.000 1.043 133 V CA -0.763 61.503 62.300 -0.057 0.000 0.888 133 V CB 1.476 33.256 31.823 -0.072 0.000 0.995 133 V HN 0.819 nan 8.190 nan 0.000 0.429 134 A N 3.104 125.762 122.820 -0.270 0.000 2.475 134 A HA 0.991 5.311 4.320 -0.000 0.000 0.301 134 A C -0.586 176.554 177.584 -0.739 0.000 1.059 134 A CA -0.358 51.396 52.037 -0.472 0.000 0.710 134 A CB 1.940 20.783 19.000 -0.262 0.000 1.288 134 A HN 1.460 nan 8.150 nan 0.000 0.408 135 A N 1.522 123.669 122.820 -1.121 0.000 2.331 135 A HA 0.754 5.074 4.320 -0.000 0.000 0.320 135 A C -0.871 176.363 177.584 -0.584 0.000 1.138 135 A CA -0.363 51.083 52.037 -0.985 0.000 0.790 135 A CB 0.461 18.497 19.000 -1.606 0.000 1.206 135 A HN 0.834 nan 8.150 nan 0.000 0.470 136 L N 2.130 123.140 121.223 -0.355 0.000 2.362 136 L HA 0.423 4.763 4.340 -0.000 0.000 0.271 136 L C 0.238 176.962 176.870 -0.243 0.000 1.002 136 L CA -1.127 53.533 54.840 -0.300 0.000 0.818 136 L CB 1.669 43.564 42.059 -0.273 0.000 1.298 136 L HN 0.772 nan 8.230 nan 0.000 0.420 137 N N 1.548 120.086 118.700 -0.270 0.000 2.447 137 N HA 0.021 4.761 4.740 -0.000 0.000 0.263 137 N C 0.711 176.116 175.510 -0.175 0.000 1.226 137 N CA 0.463 53.404 53.050 -0.182 0.000 0.906 137 N CB 1.824 40.196 38.487 -0.193 0.000 1.060 137 N HN 0.825 nan 8.380 nan 0.000 0.468 138 A N 4.410 127.253 122.820 0.038 0.000 2.070 138 A HA -0.101 4.219 4.320 -0.000 0.000 0.220 138 A C 1.646 179.529 177.584 0.497 0.000 1.159 138 A CA 1.087 53.297 52.037 0.289 0.000 0.656 138 A CB -0.039 19.146 19.000 0.309 0.000 0.800 138 A HN 0.765 nan 8.150 nan 0.000 0.453 139 E N -0.960 119.381 120.200 0.235 0.000 2.276 139 E HA -0.042 4.308 4.350 -0.000 0.000 0.193 139 E C 1.855 178.522 176.600 0.111 0.000 0.983 139 E CA 1.537 58.095 56.400 0.265 0.000 0.861 139 E CB -0.174 29.617 29.700 0.152 0.000 0.817 139 E HN 0.784 nan 8.360 nan 0.000 0.485 140 T N -3.972 110.428 114.554 -0.256 0.000 2.959 140 T HA 0.331 4.681 4.350 -0.000 0.000 0.254 140 T C 1.551 175.638 174.700 -1.022 0.000 1.003 140 T CA 0.737 62.587 62.100 -0.416 0.000 0.950 140 T CB 0.779 69.513 68.868 -0.223 0.000 1.090 140 T HN 0.175 nan 8.240 nan 0.000 0.503 141 G N 1.748 109.587 108.800 -1.603 0.000 2.179 141 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.260 141 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.260 141 G C -0.224 174.199 174.900 -0.795 0.000 0.977 141 G CA 0.178 44.098 45.100 -1.967 0.000 0.641 141 G HN 0.714 nan 8.290 nan 0.000 0.533 142 E N 0.911 120.807 120.200 -0.506 0.000 2.398 142 E HA 0.400 4.750 4.350 -0.000 0.000 0.263 142 E C 0.181 176.621 176.600 -0.268 0.000 1.046 142 E CA 0.252 56.478 56.400 -0.290 0.000 0.908 142 E CB 0.502 30.082 29.700 -0.199 0.000 0.963 142 E HN 0.126 nan 8.360 nan 0.000 0.431 143 T N 2.161 116.594 114.554 -0.201 0.000 2.779 143 T HA 0.067 4.417 4.350 -0.000 0.000 0.296 143 T C 1.078 175.682 174.700 -0.160 0.000 0.938 143 T CA -0.443 61.539 62.100 -0.198 0.000 1.119 143 T CB 0.974 69.753 68.868 -0.148 0.000 0.891 143 T HN 0.229 nan 8.240 nan 0.000 0.526 144 V N 3.453 123.242 119.914 -0.209 0.000 2.426 144 V HA 0.208 4.328 4.120 -0.000 0.000 0.242 144 V C 0.535 176.642 176.094 0.022 0.000 1.036 144 V CA 0.843 63.079 62.300 -0.107 0.000 1.044 144 V CB -0.026 31.724 31.823 -0.121 0.000 0.688 144 V HN 0.893 nan 8.190 nan 0.000 0.462 145 W N -0.731 120.511 121.300 -0.096 0.000 3.075 145 W HA 0.734 5.394 4.660 -0.000 0.000 0.334 145 W C -1.125 175.326 176.519 -0.114 0.000 1.243 145 W CA -1.036 56.247 57.345 -0.103 0.000 1.170 145 W CB 1.835 31.225 29.460 -0.117 0.000 1.452 145 W HN -0.141 nan 8.180 nan 0.000 0.572 146 K N 1.977 122.557 120.400 0.299 0.000 2.565 146 K HA 0.478 4.798 4.320 -0.000 0.000 0.251 146 K C -1.619 175.079 176.600 0.162 0.000 0.956 146 K CA -0.421 55.958 56.287 0.153 0.000 0.809 146 K CB 2.540 35.048 32.500 0.013 0.000 1.267 146 K HN 0.556 nan 8.250 nan 0.000 0.438 147 V N -0.205 119.787 119.914 0.130 0.000 3.040 147 V HA 0.588 4.708 4.120 -0.000 0.000 0.312 147 V C -0.767 175.330 176.094 0.006 0.000 1.115 147 V CA -0.978 61.337 62.300 0.025 0.000 0.998 147 V CB 1.831 33.598 31.823 -0.095 0.000 1.042 147 V HN 0.788 nan 8.190 nan 0.000 0.433 148 E N 1.780 121.999 120.200 0.031 0.000 2.229 148 E HA 0.304 4.654 4.350 -0.000 0.000 0.283 148 E C -0.050 176.612 176.600 0.103 0.000 1.030 148 E CA 0.003 56.436 56.400 0.056 0.000 0.836 148 E CB 1.485 31.219 29.700 0.057 0.000 1.068 148 E HN 0.833 nan 8.360 nan 0.000 0.401 149 N N 1.278 120.052 118.700 0.125 0.000 2.510 149 N HA 0.007 4.747 4.740 -0.000 0.000 0.186 149 N C -0.559 175.102 175.510 0.251 0.000 1.051 149 N CA 0.263 53.445 53.050 0.220 0.000 0.877 149 N CB 0.784 39.391 38.487 0.200 0.000 1.183 149 N HN 0.219 nan 8.380 nan 0.000 0.443 150 S N -0.641 115.163 115.700 0.173 0.000 2.599 150 S HA 0.322 4.792 4.470 -0.000 0.000 0.287 150 S C -1.789 172.880 174.600 0.115 0.000 1.105 150 S CA -0.790 57.517 58.200 0.178 0.000 0.899 150 S CB 1.990 65.259 63.200 0.114 0.000 1.100 150 S HN 0.177 nan 8.310 nan 0.000 0.482 151 D N 1.330 121.794 120.400 0.106 0.000 2.440 151 D HA 0.337 4.977 4.640 -0.000 0.000 0.239 151 D C 1.144 177.464 176.300 0.033 0.000 1.084 151 D CA -0.842 53.195 54.000 0.062 0.000 0.843 151 D CB 0.637 41.471 40.800 0.056 0.000 1.097 151 D HN 0.531 nan 8.370 nan 0.000 0.531 152 I N 0.922 121.500 120.570 0.013 0.000 2.614 152 I HA -0.072 4.098 4.170 -0.000 0.000 0.258 152 I C 1.670 177.766 176.117 -0.036 0.000 1.189 152 I CA 0.450 61.739 61.300 -0.019 0.000 1.462 152 I CB -0.047 37.939 38.000 -0.024 0.000 1.092 152 I HN 0.083 nan 8.210 nan 0.000 0.442 153 K N 1.192 121.580 120.400 -0.021 0.000 2.280 153 K HA -0.001 4.319 4.320 -0.000 0.000 0.202 153 K C 1.679 178.250 176.600 -0.047 0.000 1.047 153 K CA 0.886 57.153 56.287 -0.033 0.000 0.942 153 K CB 0.015 32.503 32.500 -0.020 0.000 0.739 153 K HN 0.359 nan 8.250 nan 0.000 0.457 154 V N -0.395 119.501 119.914 -0.030 0.000 3.427 154 V HA 0.134 4.254 4.120 -0.000 0.000 0.305 154 V C 0.680 176.752 176.094 -0.037 0.000 1.412 154 V CA 0.749 63.034 62.300 -0.024 0.000 1.086 154 V CB 0.426 32.261 31.823 0.021 0.000 0.964 154 V HN 0.530 nan 8.190 nan 0.000 0.439 155 G N 0.548 109.304 108.800 -0.074 0.000 2.132 155 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.234 155 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.234 155 G C 0.331 175.186 174.900 -0.075 0.000 0.989 155 G CA 0.464 45.487 45.100 -0.127 0.000 0.676 155 G HN 0.649 nan 8.290 nan 0.000 0.522 156 S N 0.735 116.426 115.700 -0.014 0.000 2.429 156 S HA 0.769 5.239 4.470 -0.000 0.000 0.302 156 S C 0.515 175.120 174.600 0.008 0.000 1.115 156 S CA 0.789 59.002 58.200 0.023 0.000 1.095 156 S CB 0.877 64.137 63.200 0.101 0.000 0.987 156 S HN 1.239 nan 8.310 nan 0.000 0.474 157 T N 2.530 117.078 114.554 -0.009 0.000 2.858 157 T HA 0.710 5.060 4.350 -0.000 0.000 0.285 157 T C -0.818 173.886 174.700 0.007 0.000 1.052 157 T CA -0.942 61.154 62.100 -0.006 0.000 1.009 157 T CB 0.833 69.679 68.868 -0.036 0.000 1.241 157 T HN 0.458 nan 8.240 nan 0.000 0.542 158 L N 1.368 122.608 121.223 0.027 0.000 2.381 158 L HA 0.551 4.891 4.340 -0.000 0.000 0.274 158 L C 0.821 177.726 176.870 0.059 0.000 0.988 158 L CA -0.733 54.132 54.840 0.042 0.000 0.824 158 L CB 2.476 44.566 42.059 0.051 0.000 1.263 158 L HN 1.166 nan 8.230 nan 0.000 0.410 159 T N -0.835 113.759 114.554 0.066 0.000 2.969 159 T HA 0.252 4.601 4.350 -0.000 0.000 0.258 159 T C 0.610 175.371 174.700 0.102 0.000 0.962 159 T CA -0.070 62.082 62.100 0.087 0.000 0.903 159 T CB 0.492 69.395 68.868 0.059 0.000 1.177 159 T HN 0.298 nan 8.240 nan 0.000 0.511 160 I N 2.690 123.316 120.570 0.093 0.000 2.696 160 I HA 0.518 4.688 4.170 -0.000 0.000 0.284 160 I C 0.477 176.635 176.117 0.069 0.000 1.129 160 I CA -0.732 60.599 61.300 0.052 0.000 1.410 160 I CB 0.794 38.828 38.000 0.056 0.000 1.399 160 I HN 0.365 nan 8.210 nan 0.000 0.579 161 A N 8.057 130.915 122.820 0.064 0.000 2.354 161 A HA 0.563 4.883 4.320 -0.000 0.000 0.269 161 A C -2.436 175.291 177.584 0.240 0.000 1.109 161 A CA -1.320 50.811 52.037 0.156 0.000 0.800 161 A CB -0.037 19.120 19.000 0.261 0.000 1.045 161 A HN 0.516 nan 8.150 nan 0.000 0.489 162 P HA 0.261 nan 4.420 nan 0.000 0.272 162 P C -1.223 176.262 177.300 0.310 0.000 1.240 162 P CA 0.309 63.527 63.100 0.196 0.000 0.791 162 P CB 0.258 32.029 31.700 0.117 0.000 0.978 163 Y N 0.388 120.704 120.300 0.027 0.000 2.386 163 Y HA 0.431 4.981 4.550 -0.000 0.000 0.334 163 Y C -1.124 174.763 175.900 -0.022 0.000 1.002 163 Y CA -0.798 57.312 58.100 0.017 0.000 1.068 163 Y CB 1.432 39.781 38.460 -0.185 0.000 1.203 163 Y HN -0.015 nan 8.280 nan 0.000 0.443 164 V N 6.863 126.657 119.914 -0.201 0.000 2.347 164 V HA 0.535 4.655 4.120 -0.000 0.000 0.280 164 V C -0.864 175.165 176.094 -0.109 0.000 1.021 164 V CA -0.664 61.580 62.300 -0.094 0.000 0.847 164 V CB 1.267 33.111 31.823 0.036 0.000 0.990 164 V HN 0.542 nan 8.190 nan 0.000 0.444 165 V N 6.493 126.330 119.914 -0.128 0.000 2.483 165 V HA 0.563 4.683 4.120 -0.000 0.000 0.297 165 V C 0.472 176.488 176.094 -0.131 0.000 1.027 165 V CA -0.820 61.316 62.300 -0.274 0.000 0.855 165 V CB 1.358 32.827 31.823 -0.589 0.000 0.995 165 V HN 0.954 nan 8.190 nan 0.000 0.424 166 K N 2.595 122.976 120.400 -0.031 0.000 1.751 166 K HA -0.238 4.082 4.320 -0.000 0.000 0.134 166 K C -0.131 176.560 176.600 0.152 0.000 1.167 166 K CA 1.730 58.060 56.287 0.073 0.000 0.330 166 K CB -0.743 31.777 32.500 0.033 0.000 0.663 166 K HN 0.755 nan 8.250 nan 0.000 0.817 167 D N 2.643 123.089 120.400 0.077 0.000 2.643 167 D HA 0.250 4.890 4.640 -0.000 0.000 0.244 167 D C -0.488 175.704 176.300 -0.181 0.000 1.257 167 D CA 0.332 54.322 54.000 -0.017 0.000 0.831 167 D CB 0.271 41.076 40.800 0.007 0.000 1.043 167 D HN 0.143 nan 8.370 nan 0.000 0.488 168 K N -0.326 119.996 120.400 -0.130 0.000 2.385 168 K HA 0.645 4.965 4.320 -0.000 0.000 0.248 168 K C -0.861 175.661 176.600 -0.129 0.000 0.955 168 K CA -0.989 55.205 56.287 -0.156 0.000 0.816 168 K CB 3.117 35.531 32.500 -0.144 0.000 1.250 168 K HN -0.265 nan 8.250 nan 0.000 0.434 169 V N 2.921 122.774 119.914 -0.102 0.000 2.409 169 V HA 0.384 4.504 4.120 -0.000 0.000 0.291 169 V C -0.397 175.646 176.094 -0.086 0.000 1.020 169 V CA -1.023 61.258 62.300 -0.032 0.000 0.848 169 V CB 1.219 33.099 31.823 0.096 0.000 0.990 169 V HN 0.578 nan 8.190 nan 0.000 0.430 170 I N 5.757 126.239 120.570 -0.146 0.000 2.331 170 I HA 0.479 4.649 4.170 -0.000 0.000 0.292 170 I C -0.307 175.728 176.117 -0.136 0.000 0.998 170 I CA -0.580 60.549 61.300 -0.285 0.000 1.267 170 I CB 1.401 39.116 38.000 -0.476 0.000 1.386 170 I HN 0.360 nan 8.210 nan 0.000 0.476 171 I N 5.123 125.641 120.570 -0.087 0.000 2.436 171 I HA 0.440 4.610 4.170 -0.000 0.000 0.289 171 I C 0.838 176.946 176.117 -0.015 0.000 1.010 171 I CA -0.209 61.111 61.300 0.034 0.000 1.098 171 I CB 1.294 39.381 38.000 0.145 0.000 1.266 171 I HN 0.641 nan 8.210 nan 0.000 0.434 172 G N 4.651 113.475 108.800 0.039 0.000 2.624 172 G HA2 0.612 4.571 3.960 -0.000 0.000 0.217 172 G HA3 0.612 4.571 3.960 -0.000 0.000 0.217 172 G C -0.344 174.469 174.900 -0.145 0.000 1.506 172 G CA -0.005 45.067 45.100 -0.046 0.000 1.072 172 G HN 0.707 nan 8.290 nan 0.000 0.568 173 S N -2.999 112.636 115.700 -0.109 0.000 2.587 173 S HA 0.718 5.187 4.470 -0.000 0.000 0.269 173 S C -1.060 173.568 174.600 0.047 0.000 1.154 173 S CA -0.650 57.458 58.200 -0.154 0.000 0.824 173 S CB 1.734 64.654 63.200 -0.466 0.000 1.118 173 S HN 0.774 nan 8.310 nan 0.000 0.462 174 S N -0.786 114.929 115.700 0.025 0.000 2.564 174 S HA 0.898 5.368 4.470 -0.000 0.000 0.274 174 S C 0.381 174.991 174.600 0.016 0.000 1.124 174 S CA -0.104 58.123 58.200 0.045 0.000 0.869 174 S CB 1.583 64.764 63.200 -0.031 0.000 1.105 174 S HN 2.229 nan 8.310 nan 0.000 0.472 175 G N 0.274 109.084 108.800 0.017 0.000 2.321 175 G HA2 0.024 3.984 3.960 -0.000 0.000 0.174 175 G HA3 0.024 3.984 3.960 -0.000 0.000 0.174 175 G C 0.769 175.726 174.900 0.095 0.000 1.008 175 G CA 0.337 45.447 45.100 0.017 0.000 0.739 175 G HN 0.977 nan 8.290 nan 0.000 0.502 176 A N 0.342 123.265 122.820 0.172 0.000 2.024 176 A HA 0.126 4.446 4.320 -0.000 0.000 0.220 176 A C 1.881 179.644 177.584 0.298 0.000 1.164 176 A CA 2.281 54.474 52.037 0.260 0.000 0.643 176 A CB -0.207 18.986 19.000 0.322 0.000 0.806 176 A HN 0.399 nan 8.150 nan 0.000 0.451 177 E N -1.001 119.348 120.200 0.248 0.000 2.418 177 E HA 0.039 4.389 4.350 -0.000 0.000 0.197 177 E C 0.540 177.245 176.600 0.175 0.000 1.026 177 E CA 0.513 57.066 56.400 0.254 0.000 0.862 177 E CB -0.045 29.805 29.700 0.250 0.000 0.799 177 E HN 0.558 nan 8.360 nan 0.000 0.518 178 L N -1.358 119.913 121.223 0.080 0.000 3.066 178 L HA 0.371 4.711 4.340 -0.000 0.000 0.265 178 L C 0.978 177.989 176.870 0.235 0.000 1.232 178 L CA 0.117 54.963 54.840 0.010 0.000 1.031 178 L CB 0.618 42.506 42.059 -0.286 0.000 1.379 178 L HN 0.064 nan 8.230 nan 0.000 0.563 179 G N 0.213 109.231 108.800 0.363 0.000 2.249 179 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.273 179 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.273 179 G C 0.143 175.136 174.900 0.155 0.000 1.036 179 G CA 0.254 45.553 45.100 0.333 0.000 0.824 179 G HN 0.152 nan 8.290 nan 0.000 0.504 180 V N 0.609 120.626 119.914 0.171 0.000 2.488 180 V HA 0.322 4.442 4.120 -0.000 0.000 0.277 180 V C 1.253 177.463 176.094 0.193 0.000 1.046 180 V CA -0.483 61.913 62.300 0.160 0.000 0.986 180 V CB 1.417 33.331 31.823 0.152 0.000 0.989 180 V HN 0.535 nan 8.190 nan 0.000 0.475 181 R N 3.784 124.405 120.500 0.202 0.000 2.316 181 R HA 0.369 4.709 4.340 -0.000 0.000 0.314 181 R C 0.540 177.068 176.300 0.380 0.000 1.069 181 R CA -0.119 56.136 56.100 0.259 0.000 0.959 181 R CB 0.543 30.982 30.300 0.232 0.000 0.987 181 R HN 0.907 nan 8.270 nan 0.000 0.446 182 G N 3.663 112.662 108.800 0.332 0.000 2.491 182 G HA2 0.228 4.188 3.960 -0.000 0.000 0.242 182 G HA3 0.228 4.188 3.960 -0.000 0.000 0.242 182 G C -1.153 173.926 174.900 0.298 0.000 1.266 182 G CA -0.206 45.054 45.100 0.267 0.000 0.844 182 G HN 0.736 nan 8.290 nan 0.000 0.571 183 Y N -0.429 119.860 120.300 -0.018 0.000 2.558 183 Y HA 0.653 5.203 4.550 -0.000 0.000 0.333 183 Y C -0.969 174.835 175.900 -0.161 0.000 1.125 183 Y CA -1.798 56.153 58.100 -0.247 0.000 1.039 183 Y CB 1.179 39.212 38.460 -0.712 0.000 1.331 183 Y HN 0.704 nan 8.280 nan 0.000 0.456 184 L N 0.629 121.804 121.223 -0.080 0.000 2.354 184 L HA 1.077 5.417 4.340 -0.000 0.000 0.264 184 L C -1.233 175.535 176.870 -0.171 0.000 1.008 184 L CA -0.727 54.025 54.840 -0.146 0.000 0.819 184 L CB 2.717 44.667 42.059 -0.181 0.000 1.339 184 L HN 0.797 nan 8.230 nan 0.000 0.420 185 T N 1.237 115.589 114.554 -0.337 0.000 2.900 185 T HA 0.804 5.154 4.350 -0.000 0.000 0.295 185 T C -0.638 173.510 174.700 -0.922 0.000 1.044 185 T CA -0.482 61.256 62.100 -0.604 0.000 0.995 185 T CB 1.834 70.431 68.868 -0.453 0.000 1.072 185 T HN 0.916 nan 8.240 nan 0.000 0.473 186 A N 2.228 124.233 122.820 -1.359 0.000 2.318 186 A HA 0.809 5.129 4.320 -0.000 0.000 0.317 186 A C -1.575 175.471 177.584 -0.897 0.000 1.159 186 A CA -0.638 50.694 52.037 -1.175 0.000 0.799 186 A CB 0.534 18.480 19.000 -1.756 0.000 1.194 186 A HN 0.785 nan 8.150 nan 0.000 0.479 187 Y N 0.312 120.358 120.300 -0.424 0.000 2.509 187 Y HA 0.411 4.961 4.550 -0.000 0.000 0.341 187 Y C 0.233 175.915 175.900 -0.362 0.000 1.038 187 Y CA -0.652 57.223 58.100 -0.375 0.000 1.089 187 Y CB 1.607 39.843 38.460 -0.373 0.000 1.241 187 Y HN 0.810 nan 8.280 nan 0.000 0.468 188 D N 0.907 121.172 120.400 -0.226 0.000 2.371 188 D HA 0.008 4.647 4.640 -0.000 0.000 0.256 188 D C 0.770 176.858 176.300 -0.355 0.000 1.193 188 D CA 0.243 54.080 54.000 -0.273 0.000 0.881 188 D CB 1.412 42.052 40.800 -0.265 0.000 1.143 188 D HN 0.431 nan 8.370 nan 0.000 0.473 189 V N 4.231 123.940 119.914 -0.341 0.000 2.688 189 V HA -0.221 3.898 4.120 -0.000 0.000 0.256 189 V C 1.589 177.516 176.094 -0.278 0.000 1.084 189 V CA 1.867 63.971 62.300 -0.328 0.000 1.103 189 V CB -0.357 31.022 31.823 -0.740 0.000 0.688 189 V HN 0.600 nan 8.190 nan 0.000 0.480 190 K N -0.402 119.754 120.400 -0.406 0.000 2.284 190 K HA 0.067 4.386 4.320 -0.000 0.000 0.198 190 K C 1.688 178.167 176.600 -0.200 0.000 1.048 190 K CA 1.265 57.403 56.287 -0.249 0.000 0.987 190 K CB 0.066 32.412 32.500 -0.256 0.000 0.800 190 K HN 0.651 nan 8.250 nan 0.000 0.486 191 T N -4.110 110.148 114.554 -0.492 0.000 2.958 191 T HA 0.254 4.604 4.350 -0.000 0.000 0.256 191 T C 1.384 175.448 174.700 -1.060 0.000 0.983 191 T CA 0.326 62.087 62.100 -0.565 0.000 0.924 191 T CB 0.938 69.612 68.868 -0.323 0.000 1.136 191 T HN 0.244 nan 8.240 nan 0.000 0.506 192 G N 1.669 109.515 108.800 -1.590 0.000 2.157 192 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.248 192 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.248 192 G C -0.184 174.342 174.900 -0.624 0.000 0.979 192 G CA 0.185 44.238 45.100 -1.745 0.000 0.650 192 G HN 0.876 nan 8.290 nan 0.000 0.529 193 E N 0.641 120.584 120.200 -0.429 0.000 2.366 193 E HA 0.361 4.711 4.350 -0.000 0.000 0.266 193 E C 0.664 177.184 176.600 -0.134 0.000 1.015 193 E CA -0.354 55.921 56.400 -0.209 0.000 0.906 193 E CB 0.259 29.839 29.700 -0.199 0.000 0.979 193 E HN 0.438 nan 8.360 nan 0.000 0.443 194 Q N 3.553 123.286 119.800 -0.111 0.000 2.286 194 Q HA 0.046 4.386 4.340 -0.000 0.000 0.267 194 Q C 0.066 175.913 176.000 -0.256 0.000 1.028 194 Q CA -0.347 55.267 55.803 -0.316 0.000 0.901 194 Q CB 1.022 29.594 28.738 -0.277 0.000 1.183 194 Q HN 0.601 nan 8.270 nan 0.000 0.392 195 V N 5.670 125.387 119.914 -0.327 0.000 2.492 195 V HA 0.162 4.282 4.120 -0.000 0.000 0.241 195 V C 0.281 176.369 176.094 -0.010 0.000 1.041 195 V CA 0.727 62.930 62.300 -0.162 0.000 1.057 195 V CB -0.121 31.608 31.823 -0.157 0.000 0.711 195 V HN 0.869 nan 8.190 nan 0.000 0.468 196 W N -0.165 121.000 121.300 -0.225 0.000 3.248 196 W HA 0.721 5.381 4.660 -0.000 0.000 0.311 196 W C -1.123 175.268 176.519 -0.213 0.000 1.258 196 W CA -0.999 56.236 57.345 -0.183 0.000 1.191 196 W CB 1.670 31.044 29.460 -0.143 0.000 1.389 196 W HN -0.044 nan 8.180 nan 0.000 0.561 197 R N 1.999 122.647 120.500 0.247 0.000 2.515 197 R HA 0.670 5.010 4.340 -0.000 0.000 0.291 197 R C -1.588 174.806 176.300 0.155 0.000 1.046 197 R CA -0.286 55.872 56.100 0.097 0.000 0.914 197 R CB 1.838 32.092 30.300 -0.076 0.000 1.191 197 R HN 0.690 nan 8.270 nan 0.000 0.435 198 A N 4.006 126.910 122.820 0.139 0.000 2.355 198 A HA 0.611 4.931 4.320 -0.000 0.000 0.317 198 A C -1.606 175.954 177.584 -0.040 0.000 1.094 198 A CA -0.553 51.531 52.037 0.078 0.000 0.764 198 A CB 0.736 19.757 19.000 0.034 0.000 1.230 198 A HN 0.649 nan 8.150 nan 0.000 0.448 199 Y N 0.538 120.881 120.300 0.073 0.000 2.432 199 Y HA 0.511 5.061 4.550 -0.000 0.000 0.322 199 Y C 1.359 177.328 175.900 0.115 0.000 1.246 199 Y CA 0.208 58.388 58.100 0.133 0.000 1.268 199 Y CB 1.718 40.249 38.460 0.119 0.000 1.276 199 Y HN 0.708 nan 8.280 nan 0.000 0.499 200 A N -0.011 123.034 122.820 0.375 0.000 2.147 200 A HA 0.189 4.509 4.320 -0.000 0.000 0.211 200 A C 0.733 178.597 177.584 0.466 0.000 1.160 200 A CA 1.146 53.422 52.037 0.397 0.000 0.781 200 A CB -0.443 18.801 19.000 0.406 0.000 0.842 200 A HN 0.719 nan 8.150 nan 0.000 0.475 201 T N -5.289 109.489 114.554 0.373 0.000 2.838 201 T HA 0.652 5.002 4.350 -0.000 0.000 0.292 201 T C 0.296 175.027 174.700 0.052 0.000 1.113 201 T CA 0.159 62.424 62.100 0.275 0.000 1.008 201 T CB 1.313 70.283 68.868 0.170 0.000 1.259 201 T HN 1.989 nan 8.240 nan 0.000 0.520 202 G N 1.020 109.640 108.800 -0.300 0.000 2.587 202 G HA2 0.049 4.009 3.960 -0.000 0.000 0.212 202 G HA3 0.049 4.009 3.960 -0.000 0.000 0.212 202 G C -3.041 171.468 174.900 -0.651 0.000 1.327 202 G CA -0.625 43.869 45.100 -1.010 0.000 0.898 202 G HN 0.874 nan 8.290 nan 0.000 0.551 203 P HA 0.209 nan 4.420 nan 0.000 0.266 203 P C 0.339 177.524 177.300 -0.191 0.000 1.195 203 P CA 0.205 63.094 63.100 -0.351 0.000 0.768 203 P CB 0.360 31.881 31.700 -0.298 0.000 0.838 204 D N 2.756 123.084 120.400 -0.119 0.000 2.190 204 D HA -0.189 4.451 4.640 -0.000 0.000 0.200 204 D C 1.634 177.870 176.300 -0.107 0.000 0.992 204 D CA 1.383 55.328 54.000 -0.092 0.000 0.854 204 D CB -0.055 40.707 40.800 -0.063 0.000 0.936 204 D HN 0.455 nan 8.370 nan 0.000 0.462 205 K N 0.839 121.181 120.400 -0.098 0.000 2.097 205 K HA -0.125 4.195 4.320 -0.000 0.000 0.206 205 K C 1.359 177.918 176.600 -0.068 0.000 1.049 205 K CA 0.978 57.216 56.287 -0.081 0.000 0.933 205 K CB -0.533 31.924 32.500 -0.072 0.000 0.717 205 K HN 0.115 nan 8.250 nan 0.000 0.442 206 D N 1.239 121.589 120.400 -0.084 0.000 2.183 206 D HA -0.002 4.638 4.640 -0.000 0.000 0.203 206 D C 2.116 178.460 176.300 0.073 0.000 0.969 206 D CA 0.595 54.578 54.000 -0.027 0.000 0.842 206 D CB -0.125 40.560 40.800 -0.191 0.000 0.957 206 D HN 0.129 nan 8.370 nan 0.000 0.484 207 L N 0.055 121.261 121.223 -0.029 0.000 2.275 207 L HA 0.017 4.356 4.340 -0.000 0.000 0.215 207 L C 0.974 177.728 176.870 -0.195 0.000 1.119 207 L CA 0.086 54.874 54.840 -0.087 0.000 0.790 207 L CB 0.040 42.015 42.059 -0.139 0.000 0.919 207 L HN 0.091 nan 8.230 nan 0.000 0.443 208 L N 1.218 122.343 121.223 -0.164 0.000 3.664 208 L HA -0.210 4.130 4.340 -0.000 0.000 0.560 208 L C -0.483 176.208 176.870 -0.298 0.000 1.285 208 L CA -0.184 54.534 54.840 -0.204 0.000 0.864 208 L CB -0.680 41.260 42.059 -0.198 0.000 1.512 208 L HN 0.196 nan 8.230 nan 0.000 0.853 209 L N 1.317 122.357 121.223 -0.305 0.000 2.350 209 L HA 0.620 4.960 4.340 -0.000 0.000 0.275 209 L C 1.046 177.814 176.870 -0.170 0.000 1.099 209 L CA 0.004 54.624 54.840 -0.366 0.000 0.808 209 L CB 1.289 43.047 42.059 -0.501 0.000 1.149 209 L HN 0.450 nan 8.230 nan 0.000 0.442 210 A N 1.444 124.221 122.820 -0.071 0.000 2.386 210 A HA 0.273 4.592 4.320 -0.000 0.000 0.248 210 A C 1.253 178.864 177.584 0.045 0.000 1.082 210 A CA 0.162 52.192 52.037 -0.010 0.000 0.789 210 A CB 0.532 19.550 19.000 0.029 0.000 1.025 210 A HN 0.920 nan 8.150 nan 0.000 0.490 211 S N 0.590 116.303 115.700 0.022 0.000 2.400 211 S HA -0.185 4.285 4.470 -0.000 0.000 0.232 211 S C 0.770 175.411 174.600 0.068 0.000 1.025 211 S CA 1.532 59.753 58.200 0.035 0.000 0.993 211 S CB -0.420 62.788 63.200 0.014 0.000 0.808 211 S HN 0.825 nan 8.310 nan 0.000 0.478 212 D N 0.216 120.659 120.400 0.071 0.000 2.460 212 D HA 0.123 4.763 4.640 -0.000 0.000 0.229 212 D C -0.063 176.300 176.300 0.104 0.000 1.170 212 D CA -0.910 53.132 54.000 0.069 0.000 0.827 212 D CB -1.035 39.788 40.800 0.038 0.000 0.973 212 D HN 0.390 nan 8.370 nan 0.000 0.496 213 F N 2.485 122.434 119.950 -0.002 0.000 2.602 213 F HA 0.080 4.607 4.527 -0.000 0.000 0.385 213 F C 0.762 176.579 175.800 0.029 0.000 1.063 213 F CA -0.004 57.998 58.000 0.003 0.000 1.233 213 F CB 0.088 39.069 39.000 -0.032 0.000 1.067 213 F HN -0.081 nan 8.300 nan 0.000 0.564 214 N N 4.633 122.949 118.700 -0.639 0.000 2.725 214 N HA -0.303 4.437 4.740 -0.000 0.000 0.249 214 N C 1.344 176.697 175.510 -0.261 0.000 1.103 214 N CA 1.102 53.826 53.050 -0.543 0.000 0.707 214 N CB -1.431 36.592 38.487 -0.773 0.000 1.043 214 N HN 0.803 nan 8.380 nan 0.000 0.553 215 I N 0.106 120.587 120.570 -0.149 0.000 2.264 215 I HA -0.272 3.898 4.170 -0.000 0.000 0.248 215 I C 1.962 178.015 176.117 -0.106 0.000 1.111 215 I CA 1.313 62.562 61.300 -0.086 0.000 1.382 215 I CB 0.046 38.022 38.000 -0.040 0.000 1.060 215 I HN 0.166 nan 8.210 nan 0.000 0.418 216 K N 0.223 120.537 120.400 -0.143 0.000 2.243 216 K HA 0.073 4.393 4.320 -0.000 0.000 0.201 216 K C 0.251 176.725 176.600 -0.210 0.000 1.051 216 K CA 0.595 56.788 56.287 -0.156 0.000 0.970 216 K CB -0.002 32.401 32.500 -0.161 0.000 0.755 216 K HN 0.374 nan 8.250 nan 0.000 0.465 217 N N 1.494 119.990 118.700 -0.340 0.000 2.723 217 N HA 0.110 4.850 4.740 -0.000 0.000 0.290 217 N C -2.257 172.991 175.510 -0.438 0.000 1.882 217 N CA -0.940 51.795 53.050 -0.525 0.000 0.851 217 N CB 1.426 39.047 38.487 -1.444 0.000 1.234 217 N HN -0.033 nan 8.380 nan 0.000 0.491 218 P HA -0.176 nan 4.420 nan 0.000 0.221 218 P C 1.057 178.390 177.300 0.054 0.000 1.145 218 P CA 1.285 64.366 63.100 -0.032 0.000 0.795 218 P CB -0.060 31.644 31.700 0.007 0.000 0.775 219 H N -2.279 116.749 119.070 -0.069 0.000 2.546 219 H HA -0.026 4.530 4.556 -0.000 0.000 0.277 219 H C 1.719 177.165 175.328 0.197 0.000 1.004 219 H CA 0.336 56.406 56.048 0.037 0.000 1.231 219 H CB -1.522 28.250 29.762 0.016 0.000 1.382 219 H HN 0.284 nan 8.280 nan 0.000 0.580 220 Y N 1.678 121.794 120.300 -0.307 0.000 2.439 220 Y HA 0.110 4.660 4.550 -0.000 0.000 0.292 220 Y C 1.259 177.205 175.900 0.077 0.000 1.130 220 Y CA 0.136 58.155 58.100 -0.135 0.000 1.254 220 Y CB 0.477 38.877 38.460 -0.101 0.000 1.000 220 Y HN 0.512 nan 8.280 nan 0.000 0.554 221 G N 0.181 109.138 108.800 0.261 0.000 2.640 221 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.686 221 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.686 221 G C -0.943 174.216 174.900 0.433 0.000 1.229 221 G CA -0.530 44.754 45.100 0.306 0.000 0.796 221 G HN 0.204 nan 8.290 nan 0.000 0.654 222 Q N -0.050 120.000 119.800 0.416 0.000 1.989 222 Q HA 0.329 4.669 4.340 -0.000 0.000 0.166 222 Q C 0.556 176.875 176.000 0.532 0.000 0.536 222 Q CA -0.447 55.655 55.803 0.498 0.000 0.651 222 Q CB 0.603 29.506 28.738 0.276 0.000 1.468 222 Q HN 0.534 nan 8.270 nan 0.000 0.350 223 K N 0.413 121.004 120.400 0.317 0.000 2.118 223 K HA 0.396 4.716 4.320 -0.000 0.000 0.264 223 K C 0.343 177.054 176.600 0.185 0.000 1.000 223 K CA 0.473 56.895 56.287 0.224 0.000 0.929 223 K CB 1.005 33.588 32.500 0.138 0.000 1.021 223 K HN 0.715 nan 8.250 nan 0.000 0.463 224 G N 1.103 109.987 108.800 0.141 0.000 2.168 224 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.263 224 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.263 224 G C 0.669 175.628 174.900 0.098 0.000 0.977 224 G CA 0.379 45.532 45.100 0.088 0.000 0.659 224 G HN 0.559 nan 8.290 nan 0.000 0.533 225 L N 0.204 121.533 121.223 0.177 0.000 2.341 225 L HA 0.177 4.517 4.340 -0.000 0.000 0.214 225 L C 2.964 179.850 176.870 0.027 0.000 1.115 225 L CA 1.042 55.919 54.840 0.061 0.000 0.820 225 L CB -0.535 41.509 42.059 -0.024 0.000 0.944 225 L HN 0.296 nan 8.230 nan 0.000 0.452 226 G N 0.060 108.948 108.800 0.147 0.000 2.470 226 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.220 226 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.220 226 G C 1.617 176.537 174.900 0.034 0.000 1.121 226 G CA 1.554 46.750 45.100 0.160 0.000 0.766 226 G HN 0.471 nan 8.290 nan 0.000 0.553 227 T N -3.668 110.844 114.554 -0.069 0.000 2.999 227 T HA 0.246 4.596 4.350 -0.000 0.000 0.247 227 T C 2.410 177.202 174.700 0.154 0.000 1.012 227 T CA 1.147 63.166 62.100 -0.134 0.000 1.048 227 T CB -0.045 68.614 68.868 -0.348 0.000 1.020 227 T HN 0.131 nan 8.240 nan 0.000 0.478 228 G N 2.338 111.194 108.800 0.093 0.000 2.432 228 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.219 228 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.219 228 G C 1.551 176.494 174.900 0.072 0.000 1.135 228 G CA 1.437 46.586 45.100 0.080 0.000 0.767 228 G HN 0.702 nan 8.290 nan 0.000 0.550 229 T N -3.471 111.115 114.554 0.053 0.000 3.273 229 T HA 0.386 4.736 4.350 -0.000 0.000 0.254 229 T C -0.251 174.323 174.700 -0.210 0.000 1.002 229 T CA -0.789 61.239 62.100 -0.120 0.000 0.913 229 T CB -0.294 68.406 68.868 -0.280 0.000 1.056 229 T HN 0.260 nan 8.240 nan 0.000 0.576 230 W N 0.447 121.779 121.300 0.053 0.000 3.031 230 W HA 0.551 5.211 4.660 -0.000 0.000 0.337 230 W C -0.464 176.126 176.519 0.119 0.000 1.187 230 W CA -1.093 56.324 57.345 0.120 0.000 1.166 230 W CB 1.517 31.120 29.460 0.239 0.000 1.437 230 W HN 0.040 nan 8.180 nan 0.000 0.551 231 E N 1.649 122.073 120.200 0.373 0.000 2.115 231 E HA 0.489 4.839 4.350 -0.000 0.000 0.282 231 E C 0.793 177.534 176.600 0.235 0.000 0.987 231 E CA 0.512 57.053 56.400 0.235 0.000 0.797 231 E CB 0.539 30.332 29.700 0.155 0.000 1.086 231 E HN 0.659 nan 8.360 nan 0.000 0.397 232 G N 4.793 113.714 108.800 0.202 0.000 2.552 232 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.265 232 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.265 232 G C 0.306 175.290 174.900 0.140 0.000 1.234 232 G CA 0.133 45.320 45.100 0.146 0.000 0.944 232 G HN 0.702 nan 8.290 nan 0.000 0.568 233 D N 1.258 121.600 120.400 -0.096 0.000 2.336 233 D HA 0.335 4.975 4.640 -0.000 0.000 0.229 233 D C 2.407 178.234 176.300 -0.789 0.000 1.061 233 D CA 1.210 54.875 54.000 -0.557 0.000 0.875 233 D CB -0.420 40.099 40.800 -0.469 0.000 0.904 233 D HN 0.812 nan 8.370 nan 0.000 0.525 234 A N 1.230 123.856 122.820 -0.324 0.000 2.084 234 A HA -0.176 4.144 4.320 -0.000 0.000 0.221 234 A C 1.958 179.224 177.584 -0.529 0.000 1.161 234 A CA 0.930 52.836 52.037 -0.219 0.000 0.653 234 A CB -1.087 18.021 19.000 0.180 0.000 0.802 234 A HN 0.568 nan 8.150 nan 0.000 0.457 235 W N -0.139 120.728 121.300 -0.721 0.000 2.525 235 W HA -0.032 4.628 4.660 -0.000 0.000 0.259 235 W C 1.115 177.241 176.519 -0.655 0.000 1.253 235 W CA 0.880 57.443 57.345 -1.304 0.000 1.262 235 W CB -0.645 28.051 29.460 -1.273 0.000 1.122 235 W HN 0.279 nan 8.180 nan 0.000 0.607 236 K N 1.669 121.453 120.400 -1.025 0.000 2.209 236 K HA -0.092 4.228 4.320 -0.000 0.000 0.204 236 K C 1.543 177.889 176.600 -0.423 0.000 1.048 236 K CA 1.693 57.514 56.287 -0.776 0.000 0.940 236 K CB -0.233 31.704 32.500 -0.937 0.000 0.729 236 K HN 0.390 nan 8.250 nan 0.000 0.451 237 I N -4.099 116.201 120.570 -0.451 0.000 3.176 237 I HA 0.329 4.499 4.170 -0.000 0.000 0.339 237 I C 0.737 176.777 176.117 -0.128 0.000 1.505 237 I CA -0.489 60.591 61.300 -0.366 0.000 0.969 237 I CB 0.852 38.364 38.000 -0.813 0.000 1.636 237 I HN -0.157 nan 8.210 nan 0.000 0.523 238 G N 0.732 109.442 108.800 -0.150 0.000 2.985 238 G HA2 0.463 4.423 3.960 -0.000 0.000 0.209 238 G HA3 0.463 4.423 3.960 -0.000 0.000 0.209 238 G C 0.885 175.958 174.900 0.289 0.000 1.165 238 G CA 0.437 45.513 45.100 -0.039 0.000 0.776 238 G HN 0.870 nan 8.290 nan 0.000 0.541 239 G N -0.493 108.458 108.800 0.251 0.000 2.525 239 G HA2 0.308 4.268 3.960 -0.000 0.000 0.248 239 G HA3 0.308 4.268 3.960 -0.000 0.000 0.248 239 G C 1.026 176.119 174.900 0.322 0.000 1.238 239 G CA 0.845 46.127 45.100 0.304 0.000 0.926 239 G HN 1.892 nan 8.290 nan 0.000 0.574 240 G N -2.196 106.804 108.800 0.333 0.000 2.143 240 G HA2 0.168 4.128 3.960 -0.000 0.000 0.249 240 G HA3 0.168 4.128 3.960 -0.000 0.000 0.249 240 G C 1.014 176.091 174.900 0.295 0.000 0.981 240 G CA 1.528 46.827 45.100 0.333 0.000 0.665 240 G HN 2.797 nan 8.290 nan 0.000 0.528 241 T N -0.216 114.508 114.554 0.283 0.000 2.903 241 T HA 0.419 4.768 4.350 -0.000 0.000 0.314 241 T C 0.290 175.124 174.700 0.224 0.000 1.078 241 T CA 0.264 62.505 62.100 0.235 0.000 1.114 241 T CB 1.295 70.322 68.868 0.264 0.000 0.987 241 T HN 0.954 nan 8.240 nan 0.000 0.548 242 N N 2.587 121.355 118.700 0.114 0.000 2.518 242 N HA 0.139 4.878 4.740 -0.000 0.000 0.254 242 N C -0.038 175.441 175.510 -0.051 0.000 0.979 242 N CA -1.087 51.948 53.050 -0.025 0.000 0.930 242 N CB 1.069 39.553 38.487 -0.005 0.000 1.152 242 N HN 1.065 nan 8.380 nan 0.000 0.505 243 W N 1.762 123.017 121.300 -0.076 0.000 2.684 243 W HA 0.446 5.106 4.660 -0.000 0.000 0.381 243 W C -0.206 176.173 176.519 -0.233 0.000 0.975 243 W CA -0.676 56.595 57.345 -0.123 0.000 1.789 243 W CB -0.500 28.930 29.460 -0.051 0.000 1.161 243 W HN 0.385 nan 8.180 nan 0.000 0.564 244 G N 1.531 109.975 108.800 -0.594 0.000 3.286 244 G HA2 0.398 4.358 3.960 -0.000 0.000 0.173 244 G HA3 0.398 4.358 3.960 -0.000 0.000 0.173 244 G C -1.312 173.105 174.900 -0.804 0.000 1.704 244 G CA -0.268 44.407 45.100 -0.709 0.000 1.041 244 G HN 0.135 nan 8.290 nan 0.000 0.561 245 W N -2.105 119.079 121.300 -0.192 0.000 2.850 245 W HA 0.722 5.382 4.660 -0.000 0.000 0.349 245 W C -1.212 175.117 176.519 -0.316 0.000 1.133 245 W CA -0.806 56.462 57.345 -0.128 0.000 1.117 245 W CB 1.208 30.718 29.460 0.084 0.000 1.442 245 W HN 0.320 nan 8.180 nan 0.000 0.575 246 Y N 0.336 120.705 120.300 0.116 0.000 2.633 246 Y HA 0.827 5.377 4.550 -0.000 0.000 0.339 246 Y C 0.199 176.096 175.900 -0.004 0.000 1.045 246 Y CA -1.559 56.495 58.100 -0.076 0.000 1.098 246 Y CB 1.876 39.981 38.460 -0.592 0.000 1.296 246 Y HN 0.474 nan 8.280 nan 0.000 0.494 247 A N 0.671 123.734 122.820 0.405 0.000 2.587 247 A HA 0.755 5.075 4.320 -0.000 0.000 0.293 247 A C -2.544 175.471 177.584 0.717 0.000 1.087 247 A CA -0.688 51.683 52.037 0.556 0.000 0.692 247 A CB 1.731 21.016 19.000 0.476 0.000 1.291 247 A HN 0.684 nan 8.150 nan 0.000 0.407 248 Y N 0.752 121.390 120.300 0.563 0.000 2.479 248 Y HA 0.599 5.149 4.550 -0.000 0.000 0.338 248 Y C -1.753 174.316 175.900 0.281 0.000 1.055 248 Y CA -0.991 57.310 58.100 0.334 0.000 1.023 248 Y CB 2.061 40.598 38.460 0.129 0.000 1.287 248 Y HN 0.650 nan 8.280 nan 0.000 0.447 249 D N 7.326 127.520 120.400 -0.343 0.000 2.453 249 D HA 0.397 5.037 4.640 -0.000 0.000 0.238 249 D C -2.333 173.460 176.300 -0.845 0.000 1.088 249 D CA -2.497 51.308 54.000 -0.326 0.000 0.854 249 D CB 2.511 43.359 40.800 0.080 0.000 1.076 249 D HN 0.328 nan 8.370 nan 0.000 0.533 250 P HA -0.002 nan 4.420 nan 0.000 0.221 250 P C 1.265 178.426 177.300 -0.232 0.000 1.145 250 P CA 0.754 63.528 63.100 -0.544 0.000 0.795 250 P CB 0.397 32.003 31.700 -0.157 0.000 0.775 251 G N -0.746 107.958 108.800 -0.161 0.000 2.421 251 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.217 251 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.217 251 G C 1.351 176.224 174.900 -0.045 0.000 1.143 251 G CA 1.478 46.540 45.100 -0.063 0.000 0.784 251 G HN 0.377 nan 8.290 nan 0.000 0.541 252 T N -3.283 111.234 114.554 -0.062 0.000 3.001 252 T HA 0.132 4.481 4.350 -0.000 0.000 0.251 252 T C 1.196 175.871 174.700 -0.042 0.000 1.040 252 T CA 0.625 62.721 62.100 -0.006 0.000 0.985 252 T CB -0.014 68.909 68.868 0.091 0.000 1.011 252 T HN 0.248 nan 8.240 nan 0.000 0.509 253 N N 0.224 118.848 118.700 -0.126 0.000 2.753 253 N HA -0.131 4.609 4.740 -0.000 0.000 0.251 253 N C -0.794 174.746 175.510 0.050 0.000 1.097 253 N CA 0.493 53.532 53.050 -0.019 0.000 0.786 253 N CB -2.005 36.514 38.487 0.053 0.000 1.137 253 N HN 0.648 nan 8.380 nan 0.000 0.566 254 L N 1.027 122.178 121.223 -0.120 0.000 2.325 254 L HA 0.535 4.875 4.340 -0.000 0.000 0.279 254 L C 0.890 177.566 176.870 -0.323 0.000 1.054 254 L CA -1.142 53.544 54.840 -0.257 0.000 0.804 254 L CB 1.123 42.900 42.059 -0.470 0.000 1.200 254 L HN 0.150 nan 8.230 nan 0.000 0.436 255 I N -0.595 119.875 120.570 -0.166 0.000 2.359 255 I HA 0.435 4.605 4.170 -0.000 0.000 0.294 255 I C -1.237 174.834 176.117 -0.077 0.000 0.987 255 I CA -0.645 60.691 61.300 0.060 0.000 1.225 255 I CB 0.974 39.133 38.000 0.265 0.000 1.366 255 I HN 0.324 nan 8.210 nan 0.000 0.466 256 Y N 6.573 127.096 120.300 0.372 0.000 2.360 256 Y HA 0.769 5.319 4.550 -0.000 0.000 0.337 256 Y C -0.174 175.936 175.900 0.348 0.000 1.039 256 Y CA -0.715 57.515 58.100 0.216 0.000 1.109 256 Y CB 1.537 40.079 38.460 0.136 0.000 1.201 256 Y HN 0.696 nan 8.280 nan 0.000 0.458 257 F N -1.148 118.909 119.950 0.177 0.000 2.842 257 F HA 0.836 5.363 4.527 -0.000 0.000 0.319 257 F C -0.781 175.016 175.800 -0.006 0.000 1.159 257 F CA -1.623 56.386 58.000 0.015 0.000 0.902 257 F CB 0.880 39.834 39.000 -0.078 0.000 1.311 257 F HN 0.637 nan 8.300 nan 0.000 0.453 258 G N 0.109 108.928 108.800 0.031 0.000 2.453 258 G HA2 0.603 4.563 3.960 -0.000 0.000 0.323 258 G HA3 0.603 4.563 3.960 -0.000 0.000 0.323 258 G C -1.231 173.767 174.900 0.163 0.000 1.198 258 G CA -0.653 44.435 45.100 -0.021 0.000 0.959 258 G HN 0.961 nan 8.290 nan 0.000 0.482 259 T N -0.714 113.954 114.554 0.189 0.000 2.907 259 T HA 0.673 5.023 4.350 -0.000 0.000 0.284 259 T C 0.986 175.789 174.700 0.173 0.000 1.004 259 T CA -0.009 62.246 62.100 0.259 0.000 1.063 259 T CB 1.731 70.837 68.868 0.397 0.000 0.992 259 T HN 0.754 nan 8.240 nan 0.000 0.483 260 G N 1.881 110.790 108.800 0.182 0.000 2.525 260 G HA2 0.289 4.249 3.960 -0.000 0.000 0.276 260 G HA3 0.289 4.249 3.960 -0.000 0.000 0.276 260 G C 0.247 175.297 174.900 0.250 0.000 1.388 260 G CA -0.947 44.286 45.100 0.221 0.000 1.050 260 G HN 1.036 nan 8.290 nan 0.000 0.520 261 N N 0.772 119.633 118.700 0.268 0.000 2.482 261 N HA 0.229 4.969 4.740 -0.000 0.000 0.260 261 N C -2.696 172.959 175.510 0.242 0.000 1.236 261 N CA -1.104 52.070 53.050 0.206 0.000 0.938 261 N CB 1.341 39.907 38.487 0.130 0.000 1.128 261 N HN 0.180 nan 8.380 nan 0.000 0.448 262 P HA 0.237 nan 4.420 nan 0.000 0.276 262 P C -1.127 176.348 177.300 0.292 0.000 1.244 262 P CA -0.436 62.850 63.100 0.310 0.000 0.801 262 P CB 0.936 32.762 31.700 0.209 0.000 1.006 263 A N 2.823 125.864 122.820 0.370 0.000 2.350 263 A HA 0.749 5.068 4.320 -0.000 0.000 0.324 263 A C -2.386 175.367 177.584 0.282 0.000 1.118 263 A CA -1.941 50.295 52.037 0.333 0.000 0.783 263 A CB 0.829 20.087 19.000 0.430 0.000 1.236 263 A HN 0.394 nan 8.150 nan 0.000 0.457 264 P HA 0.163 nan 4.420 nan 0.000 0.293 264 P C -0.030 177.324 177.300 0.090 0.000 1.304 264 P CA -0.349 62.555 63.100 -0.327 0.000 0.767 264 P CB 0.528 31.624 31.700 -1.008 0.000 1.247 265 W N -1.220 119.971 121.300 -0.182 0.000 2.467 265 W HA 0.027 4.687 4.660 -0.000 0.000 0.275 265 W C 1.117 177.659 176.519 0.039 0.000 1.239 265 W CA 0.475 57.831 57.345 0.019 0.000 1.266 265 W CB -1.816 27.673 29.460 0.050 0.000 1.112 265 W HN 0.281 nan 8.180 nan 0.000 0.576 266 N N 2.163 120.914 118.700 0.086 0.000 2.406 266 N HA -0.076 4.663 4.740 -0.000 0.000 0.274 266 N C 1.208 176.714 175.510 -0.006 0.000 1.249 266 N CA 0.603 53.667 53.050 0.024 0.000 0.951 266 N CB 0.632 39.046 38.487 -0.121 0.000 1.241 266 N HN 0.315 nan 8.380 nan 0.000 0.485 267 E N 1.638 121.814 120.200 -0.040 0.000 2.204 267 E HA -0.138 4.211 4.350 -0.000 0.000 0.195 267 E C 0.962 177.578 176.600 0.025 0.000 0.990 267 E CA 1.621 57.930 56.400 -0.152 0.000 0.821 267 E CB -0.512 28.987 29.700 -0.336 0.000 0.750 267 E HN 0.463 nan 8.360 nan 0.000 0.477 268 T N 0.366 114.946 114.554 0.043 0.000 3.007 268 T HA 0.025 4.375 4.350 -0.000 0.000 0.270 268 T C 1.367 176.110 174.700 0.072 0.000 1.107 268 T CA 1.231 63.370 62.100 0.065 0.000 1.118 268 T CB -0.174 68.728 68.868 0.056 0.000 0.889 268 T HN 0.222 nan 8.240 nan 0.000 0.506 269 M N 1.107 120.746 119.600 0.065 0.000 2.495 269 M HA 0.155 4.635 4.480 -0.000 0.000 0.237 269 M C 0.442 176.823 176.300 0.135 0.000 1.131 269 M CA 0.415 55.768 55.300 0.090 0.000 1.032 269 M CB 0.333 32.974 32.600 0.068 0.000 1.513 269 M HN 0.158 nan 8.290 nan 0.000 0.488 270 R N 0.019 120.601 120.500 0.136 0.000 2.754 270 R HA 0.359 4.699 4.340 -0.000 0.000 0.255 270 R C -3.127 173.259 176.300 0.144 0.000 1.723 270 R CA -1.369 54.837 56.100 0.178 0.000 1.596 270 R CB -0.282 30.151 30.300 0.222 0.000 1.424 270 R HN -0.143 nan 8.270 nan 0.000 0.662 271 P HA 0.267 nan 4.420 nan 0.000 0.268 271 P C 0.240 177.490 177.300 -0.085 0.000 1.205 271 P CA 0.879 63.969 63.100 -0.017 0.000 0.771 271 P CB 1.303 32.990 31.700 -0.021 0.000 0.858 272 G N 2.432 111.099 108.800 -0.221 0.000 2.459 272 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.685 272 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.685 272 G C 0.008 174.746 174.900 -0.270 0.000 1.303 272 G CA -0.529 44.422 45.100 -0.248 0.000 0.907 272 G HN 0.331 nan 8.290 nan 0.000 0.632 273 D N 0.141 120.360 120.400 -0.301 0.000 2.310 273 D HA -0.020 4.620 4.640 -0.000 0.000 0.212 273 D C 1.438 177.478 176.300 -0.434 0.000 0.965 273 D CA 1.133 54.964 54.000 -0.283 0.000 0.879 273 D CB -0.315 40.320 40.800 -0.275 0.000 0.921 273 D HN 0.734 nan 8.370 nan 0.000 0.510 274 N N 0.139 118.360 118.700 -0.799 0.000 2.725 274 N HA -0.211 4.528 4.740 -0.000 0.000 0.251 274 N C -0.489 174.716 175.510 -0.508 0.000 1.031 274 N CA 0.198 52.409 53.050 -1.399 0.000 0.720 274 N CB -0.848 36.954 38.487 -1.142 0.000 0.930 274 N HN 0.233 nan 8.380 nan 0.000 0.543 275 K N -0.411 119.739 120.400 -0.417 0.000 2.469 275 K HA -0.118 4.202 4.320 -0.000 0.000 0.274 275 K C 0.248 176.793 176.600 -0.092 0.000 0.983 275 K CA 1.019 57.035 56.287 -0.452 0.000 0.974 275 K CB 0.139 31.984 32.500 -1.091 0.000 0.913 275 K HN 0.464 nan 8.250 nan 0.000 0.493 276 W N -1.476 119.951 121.300 0.212 0.000 1.619 276 W HA -0.286 4.374 4.660 -0.000 0.000 0.250 276 W C 0.498 177.193 176.519 0.293 0.000 1.014 276 W CA 0.267 57.774 57.345 0.270 0.000 0.427 276 W CB -2.285 27.431 29.460 0.427 0.000 2.027 276 W HN 0.629 nan 8.180 nan 0.000 1.216 277 T N -1.484 113.293 114.554 0.371 0.000 2.913 277 T HA 0.517 4.867 4.350 -0.000 0.000 0.287 277 T C 0.900 175.707 174.700 0.178 0.000 1.008 277 T CA 0.209 62.497 62.100 0.315 0.000 1.067 277 T CB 1.220 70.268 68.868 0.300 0.000 0.996 277 T HN 0.291 nan 8.240 nan 0.000 0.513 278 M N -0.298 119.397 119.600 0.157 0.000 2.537 278 M HA -0.147 4.333 4.480 -0.000 0.000 0.205 278 M C 0.254 176.533 176.300 -0.034 0.000 0.450 278 M CA 1.141 56.484 55.300 0.073 0.000 0.553 278 M CB -3.374 29.259 32.600 0.056 0.000 2.046 278 M HN 1.177 nan 8.290 nan 0.000 0.797 279 T N -1.581 112.963 114.554 -0.017 0.000 2.876 279 T HA 0.796 5.146 4.350 -0.000 0.000 0.289 279 T C 0.020 174.536 174.700 -0.307 0.000 1.014 279 T CA -0.886 61.087 62.100 -0.211 0.000 0.986 279 T CB 2.255 71.002 68.868 -0.202 0.000 1.021 279 T HN 0.264 nan 8.240 nan 0.000 0.458 280 I N 3.742 124.101 120.570 -0.352 0.000 2.379 280 I HA 0.315 4.485 4.170 -0.000 0.000 0.290 280 I C -0.470 175.409 176.117 -0.395 0.000 1.063 280 I CA -0.439 60.669 61.300 -0.320 0.000 1.351 280 I CB 0.082 37.974 38.000 -0.180 0.000 1.410 280 I HN 0.548 nan 8.210 nan 0.000 0.505 281 F N 3.318 122.965 119.950 -0.507 0.000 2.470 281 F HA 0.666 5.192 4.527 -0.000 0.000 0.329 281 F C 0.819 176.175 175.800 -0.739 0.000 1.072 281 F CA -0.578 57.036 58.000 -0.643 0.000 0.989 281 F CB 2.076 40.574 39.000 -0.837 0.000 1.193 281 F HN 0.374 nan 8.300 nan 0.000 0.481 282 G N 2.563 110.949 108.800 -0.690 0.000 2.782 282 G HA2 0.573 4.533 3.960 -0.000 0.000 0.289 282 G HA3 0.573 4.533 3.960 -0.000 0.000 0.289 282 G C -1.225 173.416 174.900 -0.432 0.000 1.463 282 G CA -0.658 43.945 45.100 -0.829 0.000 1.019 282 G HN 0.507 nan 8.290 nan 0.000 0.536 283 R N 1.419 121.777 120.500 -0.236 0.000 2.637 283 R HA 0.290 4.630 4.340 -0.000 0.000 0.291 283 R C -1.072 175.129 176.300 -0.165 0.000 0.963 283 R CA -0.890 55.106 56.100 -0.173 0.000 0.901 283 R CB 2.393 32.644 30.300 -0.082 0.000 1.160 283 R HN 0.621 nan 8.270 nan 0.000 0.457 284 D N 1.100 121.372 120.400 -0.213 0.000 2.425 284 D HA 0.068 4.708 4.640 -0.000 0.000 0.247 284 D C 1.042 177.277 176.300 -0.109 0.000 1.147 284 D CA 0.233 54.144 54.000 -0.147 0.000 0.879 284 D CB 1.295 41.995 40.800 -0.167 0.000 1.179 284 D HN 0.575 nan 8.370 nan 0.000 0.456 285 A N 3.894 126.750 122.820 0.059 0.000 1.940 285 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 285 A C 1.671 179.401 177.584 0.244 0.000 1.176 285 A CA 1.479 53.615 52.037 0.165 0.000 0.631 285 A CB -0.219 18.857 19.000 0.126 0.000 0.814 285 A HN 0.737 nan 8.150 nan 0.000 0.446 286 D N -1.310 119.157 120.400 0.112 0.000 2.240 286 D HA -0.051 4.589 4.640 -0.000 0.000 0.206 286 D C 1.948 178.280 176.300 0.053 0.000 0.963 286 D CA 1.869 55.945 54.000 0.128 0.000 0.863 286 D CB -0.155 40.680 40.800 0.057 0.000 0.973 286 D HN 0.641 nan 8.370 nan 0.000 0.501 287 T N -3.712 110.693 114.554 -0.249 0.000 2.971 287 T HA 0.353 4.703 4.350 -0.000 0.000 0.252 287 T C 1.695 175.704 174.700 -1.152 0.000 1.022 287 T CA 0.750 62.580 62.100 -0.450 0.000 0.980 287 T CB 1.001 69.703 68.868 -0.276 0.000 1.044 287 T HN 0.148 nan 8.240 nan 0.000 0.501 288 G N 1.700 109.545 108.800 -1.591 0.000 2.162 288 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.260 288 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.260 288 G C -0.226 174.063 174.900 -1.018 0.000 0.976 288 G CA 0.152 43.896 45.100 -2.260 0.000 0.655 288 G HN 0.679 nan 8.290 nan 0.000 0.533 289 E N 0.661 120.489 120.200 -0.621 0.000 2.344 289 E HA 0.474 4.824 4.350 -0.000 0.000 0.270 289 E C 0.728 177.158 176.600 -0.283 0.000 1.021 289 E CA 0.180 56.353 56.400 -0.379 0.000 0.887 289 E CB 0.938 30.489 29.700 -0.250 0.000 0.997 289 E HN 0.617 nan 8.360 nan 0.000 0.429 290 A N 3.802 126.473 122.820 -0.249 0.000 2.404 290 A HA 0.048 4.368 4.320 -0.000 0.000 0.273 290 A C 0.802 178.472 177.584 0.145 0.000 1.144 290 A CA -0.094 51.885 52.037 -0.096 0.000 0.806 290 A CB 0.348 19.261 19.000 -0.144 0.000 1.080 290 A HN 0.650 nan 8.150 nan 0.000 0.509 291 K N 1.186 121.642 120.400 0.093 0.000 2.166 291 K HA 0.149 4.469 4.320 -0.000 0.000 0.201 291 K C -0.340 176.420 176.600 0.267 0.000 1.052 291 K CA 0.991 57.377 56.287 0.165 0.000 0.969 291 K CB 0.082 32.649 32.500 0.112 0.000 0.761 291 K HN 0.827 nan 8.250 nan 0.000 0.459 292 F N -2.191 117.854 119.950 0.158 0.000 2.668 292 F HA 0.626 5.152 4.527 -0.000 0.000 0.309 292 F C -0.861 174.978 175.800 0.065 0.000 1.117 292 F CA -1.298 56.673 58.000 -0.048 0.000 0.951 292 F CB 1.368 40.340 39.000 -0.047 0.000 1.323 292 F HN -0.164 nan 8.300 nan 0.000 0.451 293 G N 1.445 110.291 108.800 0.077 0.000 2.618 293 G HA2 0.447 4.407 3.960 -0.000 0.000 0.280 293 G HA3 0.447 4.407 3.960 -0.000 0.000 0.280 293 G C -2.851 172.000 174.900 -0.081 0.000 1.458 293 G CA -0.670 44.238 45.100 -0.320 0.000 1.224 293 G HN 0.953 nan 8.290 nan 0.000 0.576 294 Y N 2.464 122.608 120.300 -0.260 0.000 2.334 294 Y HA 0.555 5.105 4.550 -0.000 0.000 0.336 294 Y C 0.286 175.979 175.900 -0.344 0.000 0.960 294 Y CA -1.009 56.807 58.100 -0.472 0.000 1.164 294 Y CB 1.673 39.717 38.460 -0.693 0.000 1.155 294 Y HN 0.521 nan 8.280 nan 0.000 0.478 295 Q N 6.165 125.482 119.800 -0.806 0.000 2.323 295 Q HA 0.148 4.488 4.340 -0.000 0.000 0.257 295 Q C 0.299 175.631 176.000 -1.114 0.000 1.022 295 Q CA -0.012 55.369 55.803 -0.703 0.000 0.919 295 Q CB 0.917 29.406 28.738 -0.415 0.000 1.220 295 Q HN 0.909 nan 8.270 nan 0.000 0.427 296 K N 1.508 121.415 120.400 -0.821 0.000 2.062 296 K HA 0.007 4.327 4.320 -0.000 0.000 0.205 296 K C 0.106 176.574 176.600 -0.220 0.000 1.051 296 K CA 1.091 57.015 56.287 -0.604 0.000 0.941 296 K CB 0.452 32.685 32.500 -0.446 0.000 0.719 296 K HN 0.428 nan 8.250 nan 0.000 0.440 297 T N 3.090 117.595 114.554 -0.083 0.000 3.155 297 T HA 0.273 4.623 4.350 -0.000 0.000 0.384 297 T C -2.732 172.004 174.700 0.059 0.000 1.351 297 T CA -1.604 60.577 62.100 0.135 0.000 1.198 297 T CB 1.500 70.588 68.868 0.367 0.000 1.106 297 T HN -0.144 nan 8.240 nan 0.000 0.564 298 P HA 0.077 nan 4.420 nan 0.000 0.271 298 P C 0.265 177.594 177.300 0.048 0.000 1.216 298 P CA 0.037 63.104 63.100 -0.056 0.000 0.771 298 P CB 0.118 31.765 31.700 -0.088 0.000 0.864 299 H N 1.038 120.005 119.070 -0.171 0.000 2.604 299 H HA -0.248 4.308 4.556 -0.000 0.000 0.324 299 H C -0.339 174.867 175.328 -0.204 0.000 1.068 299 H CA -0.029 55.892 56.048 -0.212 0.000 1.091 299 H CB -0.695 28.946 29.762 -0.201 0.000 1.611 299 H HN 0.502 nan 8.280 nan 0.000 0.387 300 D N 1.823 122.031 120.400 -0.320 0.000 2.488 300 D HA -0.009 4.631 4.640 -0.000 0.000 0.238 300 D C 0.850 176.667 176.300 -0.805 0.000 1.138 300 D CA 0.830 54.626 54.000 -0.340 0.000 0.873 300 D CB 0.607 41.319 40.800 -0.147 0.000 1.183 300 D HN 0.672 nan 8.370 nan 0.000 0.458 301 E N 2.717 122.085 120.200 -1.387 0.000 2.676 301 E HA 0.135 4.485 4.350 -0.000 0.000 0.222 301 E C -0.109 175.243 176.600 -2.080 0.000 0.968 301 E CA -0.279 55.068 56.400 -1.755 0.000 1.090 301 E CB 0.601 29.009 29.700 -2.153 0.000 1.066 301 E HN 0.639 nan 8.360 nan 0.000 0.496 302 W N 0.381 121.069 121.300 -1.020 0.000 1.762 302 W HA 0.165 4.825 4.660 -0.000 0.000 0.260 302 W C -0.084 175.910 176.519 -0.876 0.000 0.846 302 W CA -0.501 56.043 57.345 -1.336 0.000 1.326 302 W CB 0.349 28.787 29.460 -1.703 0.000 1.010 302 W HN 0.056 nan 8.180 nan 0.000 0.482 303 D N 1.110 121.222 120.400 -0.481 0.000 2.699 303 D HA -0.268 4.372 4.640 -0.000 0.000 0.239 303 D C -0.455 175.840 176.300 -0.009 0.000 1.136 303 D CA 0.871 54.614 54.000 -0.430 0.000 0.668 303 D CB -1.786 38.393 40.800 -1.035 0.000 1.060 303 D HN 0.430 nan 8.370 nan 0.000 0.429 304 Y N -0.095 120.257 120.300 0.086 0.000 2.960 304 Y HA 0.473 5.023 4.550 -0.000 0.000 0.393 304 Y C 1.564 177.549 175.900 0.143 0.000 1.118 304 Y CA -0.825 57.353 58.100 0.131 0.000 1.850 304 Y CB -0.114 38.420 38.460 0.125 0.000 1.827 304 Y HN 0.362 nan 8.280 nan 0.000 0.463 305 A N 0.886 123.894 122.820 0.313 0.000 2.573 305 A HA -0.079 4.241 4.320 -0.000 0.000 0.266 305 A C 1.454 179.148 177.584 0.183 0.000 1.007 305 A CA 0.861 53.069 52.037 0.286 0.000 0.878 305 A CB -0.349 18.928 19.000 0.462 0.000 0.886 305 A HN 0.807 nan 8.150 nan 0.000 0.507 306 G N 1.858 110.743 108.800 0.142 0.000 3.397 306 G HA2 0.279 4.239 3.960 -0.000 0.000 0.248 306 G HA3 0.279 4.239 3.960 -0.000 0.000 0.248 306 G C 0.807 175.743 174.900 0.061 0.000 1.284 306 G CA 0.535 45.702 45.100 0.111 0.000 1.570 306 G HN 1.643 nan 8.290 nan 0.000 0.587 307 V N -3.067 116.777 119.914 -0.118 0.000 3.649 307 V HA 0.173 4.293 4.120 -0.000 0.000 0.275 307 V C 0.590 176.583 176.094 -0.168 0.000 1.281 307 V CA -1.010 61.108 62.300 -0.303 0.000 1.143 307 V CB -0.886 30.334 31.823 -1.005 0.000 0.892 307 V HN 0.119 nan 8.190 nan 0.000 0.441 308 N N 1.226 119.925 118.700 -0.001 0.000 2.267 308 N HA 0.105 4.845 4.740 -0.000 0.000 0.226 308 N C 0.039 175.686 175.510 0.228 0.000 1.314 308 N CA 0.210 53.285 53.050 0.042 0.000 0.887 308 N CB 0.641 39.007 38.487 -0.202 0.000 1.120 308 N HN 0.256 nan 8.380 nan 0.000 0.440 309 V N 1.476 121.507 119.914 0.195 0.000 2.814 309 V HA -0.064 4.056 4.120 -0.000 0.000 0.307 309 V C -0.054 176.122 176.094 0.135 0.000 1.089 309 V CA 0.463 62.821 62.300 0.097 0.000 1.212 309 V CB -0.023 31.625 31.823 -0.292 0.000 0.912 309 V HN 0.399 nan 8.190 nan 0.000 0.497 310 M N 8.100 127.765 119.600 0.109 0.000 2.167 310 M HA 0.501 4.980 4.480 -0.000 0.000 0.333 310 M C -0.707 175.637 176.300 0.073 0.000 1.030 310 M CA -0.017 55.348 55.300 0.107 0.000 0.963 310 M CB 1.328 34.020 32.600 0.153 0.000 1.589 310 M HN 0.573 nan 8.290 nan 0.000 0.431 311 M N 4.841 124.467 119.600 0.044 0.000 2.134 311 M HA 0.538 5.018 4.480 -0.000 0.000 0.310 311 M C -0.787 175.544 176.300 0.052 0.000 0.966 311 M CA -0.428 54.936 55.300 0.107 0.000 0.922 311 M CB 2.013 34.752 32.600 0.233 0.000 1.537 311 M HN 0.493 nan 8.290 nan 0.000 0.424 312 L N 2.549 123.798 121.223 0.043 0.000 2.350 312 L HA 0.733 5.073 4.340 -0.000 0.000 0.275 312 L C 0.302 177.100 176.870 -0.120 0.000 1.099 312 L CA -0.346 54.472 54.840 -0.037 0.000 0.808 312 L CB 1.319 43.390 42.059 0.021 0.000 1.149 312 L HN 0.853 nan 8.230 nan 0.000 0.442 313 S N 0.962 116.561 115.700 -0.169 0.000 2.615 313 S HA 0.534 5.004 4.470 -0.000 0.000 0.269 313 S C -1.210 173.326 174.600 -0.106 0.000 1.161 313 S CA -1.074 56.989 58.200 -0.228 0.000 0.817 313 S CB 2.284 65.122 63.200 -0.602 0.000 1.131 313 S HN 0.609 nan 8.310 nan 0.000 0.467 314 E N 0.666 120.833 120.200 -0.055 0.000 2.220 314 E HA 0.451 4.801 4.350 -0.000 0.000 0.256 314 E C -1.202 175.386 176.600 -0.020 0.000 0.881 314 E CA -0.431 55.949 56.400 -0.033 0.000 0.766 314 E CB 1.925 31.617 29.700 -0.012 0.000 1.187 314 E HN 0.564 nan 8.360 nan 0.000 0.419 315 Q N 1.497 121.278 119.800 -0.032 0.000 2.495 315 Q HA 0.420 4.760 4.340 -0.000 0.000 0.287 315 Q C -0.945 175.033 176.000 -0.037 0.000 1.078 315 Q CA -1.030 54.758 55.803 -0.026 0.000 0.793 315 Q CB 2.724 31.448 28.738 -0.024 0.000 1.459 315 Q HN 0.186 nan 8.270 nan 0.000 0.422 316 K N 1.800 122.178 120.400 -0.037 0.000 2.234 316 K HA 0.114 4.434 4.320 -0.000 0.000 0.282 316 K C -0.460 176.111 176.600 -0.048 0.000 1.039 316 K CA -0.430 55.833 56.287 -0.040 0.000 0.928 316 K CB 0.542 33.021 32.500 -0.036 0.000 1.039 316 K HN 0.539 nan 8.250 nan 0.000 0.470 317 D N 1.949 122.319 120.400 -0.051 0.000 2.376 317 D HA -0.013 4.626 4.640 -0.000 0.000 0.268 317 D C 0.559 176.826 176.300 -0.054 0.000 1.252 317 D CA -0.062 53.904 54.000 -0.058 0.000 1.041 317 D CB 0.488 41.252 40.800 -0.060 0.000 1.109 317 D HN 0.256 nan 8.370 nan 0.000 0.552 318 K N -1.099 119.268 120.400 -0.055 0.000 2.283 318 K HA -0.063 4.257 4.320 -0.000 0.000 0.202 318 K C 0.531 177.105 176.600 -0.043 0.000 1.048 318 K CA 1.057 57.314 56.287 -0.050 0.000 0.948 318 K CB -0.052 32.418 32.500 -0.051 0.000 0.742 318 K HN 0.390 nan 8.250 nan 0.000 0.458 319 D N -0.427 119.947 120.400 -0.043 0.000 2.328 319 D HA 0.048 4.687 4.640 -0.000 0.000 0.221 319 D C 1.012 177.291 176.300 -0.035 0.000 1.072 319 D CA 0.547 54.525 54.000 -0.038 0.000 0.850 319 D CB 0.844 41.621 40.800 -0.039 0.000 0.922 319 D HN 0.363 nan 8.370 nan 0.000 0.516 320 G N 1.470 110.248 108.800 -0.037 0.000 2.159 320 G HA2 -0.299 3.660 3.960 -0.000 0.000 0.256 320 G HA3 -0.299 3.660 3.960 -0.000 0.000 0.256 320 G C 0.244 175.124 174.900 -0.033 0.000 0.977 320 G CA -0.163 44.917 45.100 -0.033 0.000 0.652 320 G HN 0.300 nan 8.290 nan 0.000 0.531 321 K N 0.773 121.151 120.400 -0.037 0.000 2.276 321 K HA 0.605 4.925 4.320 -0.000 0.000 0.283 321 K C 0.588 177.166 176.600 -0.038 0.000 1.044 321 K CA 0.206 56.471 56.287 -0.037 0.000 0.944 321 K CB 1.423 33.898 32.500 -0.041 0.000 1.012 321 K HN 0.475 nan 8.250 nan 0.000 0.472 322 A N 4.754 127.555 122.820 -0.033 0.000 2.396 322 A HA 0.165 4.485 4.320 -0.000 0.000 0.279 322 A C -0.179 177.383 177.584 -0.037 0.000 1.165 322 A CA -0.484 51.534 52.037 -0.032 0.000 0.824 322 A CB 0.172 19.158 19.000 -0.024 0.000 1.100 322 A HN 0.565 nan 8.150 nan 0.000 0.516 323 R N 2.268 122.741 120.500 -0.044 0.000 2.720 323 R HA 0.485 4.825 4.340 -0.000 0.000 0.272 323 R C -0.899 175.369 176.300 -0.053 0.000 0.991 323 R CA -0.909 55.159 56.100 -0.053 0.000 1.010 323 R CB 0.970 31.229 30.300 -0.067 0.000 1.141 323 R HN 0.464 nan 8.270 nan 0.000 0.494 324 K N 2.749 123.115 120.400 -0.057 0.000 2.281 324 K HA 0.450 4.770 4.320 -0.000 0.000 0.272 324 K C 0.018 176.564 176.600 -0.091 0.000 1.048 324 K CA -0.311 55.942 56.287 -0.057 0.000 0.898 324 K CB 0.690 33.169 32.500 -0.034 0.000 1.128 324 K HN 0.424 nan 8.250 nan 0.000 0.460 325 L N 2.524 123.683 121.223 -0.107 0.000 2.286 325 L HA 0.629 4.969 4.340 -0.000 0.000 0.265 325 L C -0.494 176.272 176.870 -0.174 0.000 1.012 325 L CA -1.608 53.150 54.840 -0.137 0.000 0.818 325 L CB 1.106 43.099 42.059 -0.111 0.000 1.337 325 L HN 0.343 nan 8.230 nan 0.000 0.438 326 L N -1.688 119.422 121.223 -0.188 0.000 2.436 326 L HA 0.804 5.144 4.340 -0.000 0.000 0.268 326 L C -0.734 176.045 176.870 -0.152 0.000 0.974 326 L CA -0.202 54.523 54.840 -0.193 0.000 0.826 326 L CB 1.859 43.746 42.059 -0.286 0.000 1.291 326 L HN 0.353 nan 8.230 nan 0.000 0.406 327 T N 2.322 116.772 114.554 -0.173 0.000 2.807 327 T HA 0.480 4.830 4.350 -0.000 0.000 0.279 327 T C -1.251 173.353 174.700 -0.160 0.000 0.993 327 T CA -0.203 61.719 62.100 -0.296 0.000 0.970 327 T CB 0.598 68.964 68.868 -0.837 0.000 0.950 327 T HN 0.795 nan 8.240 nan 0.000 0.441 328 H N 4.495 123.434 119.070 -0.220 0.000 3.177 328 H HA 0.279 4.835 4.556 -0.000 0.000 0.314 328 H C -2.985 172.253 175.328 -0.149 0.000 1.059 328 H CA -2.089 53.867 56.048 -0.154 0.000 1.515 328 H CB 2.065 31.796 29.762 -0.051 0.000 1.672 328 H HN 0.301 nan 8.280 nan 0.000 0.514 329 P HA 0.115 nan 4.420 nan 0.000 0.286 329 P C -0.382 176.549 177.300 -0.615 0.000 1.321 329 P CA -0.053 62.718 63.100 -0.547 0.000 0.790 329 P CB 1.501 32.788 31.700 -0.687 0.000 0.897 330 D N 2.254 122.435 120.400 -0.366 0.000 2.388 330 D HA 0.152 4.792 4.640 -0.000 0.000 0.254 330 D C 1.668 177.889 176.300 -0.132 0.000 1.111 330 D CA -0.655 53.194 54.000 -0.253 0.000 0.993 330 D CB 1.119 41.932 40.800 0.021 0.000 1.118 330 D HN 0.046 nan 8.370 nan 0.000 0.502 331 R N 0.748 121.208 120.500 -0.068 0.000 2.096 331 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 331 R C 1.368 177.397 176.300 -0.451 0.000 1.127 331 R CA 1.043 57.112 56.100 -0.052 0.000 0.968 331 R CB -0.771 29.619 30.300 0.151 0.000 0.861 331 R HN 0.578 nan 8.270 nan 0.000 0.440 332 N N 0.071 118.406 118.700 -0.609 0.000 2.609 332 N HA -0.078 4.662 4.740 -0.000 0.000 0.190 332 N C 1.031 176.066 175.510 -0.791 0.000 1.157 332 N CA 1.286 53.617 53.050 -1.199 0.000 0.918 332 N CB -0.130 38.122 38.487 -0.392 0.000 0.978 332 N HN 0.328 nan 8.380 nan 0.000 0.448 333 G N -1.170 107.347 108.800 -0.471 0.000 2.176 333 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.232 333 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.232 333 G C -0.420 174.356 174.900 -0.207 0.000 0.986 333 G CA 0.197 45.103 45.100 -0.323 0.000 0.643 333 G HN 0.291 nan 8.290 nan 0.000 0.522 334 I N 1.473 121.905 120.570 -0.230 0.000 2.433 334 I HA 0.501 4.671 4.170 -0.000 0.000 0.292 334 I C 0.504 176.344 176.117 -0.462 0.000 1.001 334 I CA -1.214 59.867 61.300 -0.366 0.000 1.119 334 I CB 1.693 39.368 38.000 -0.543 0.000 1.289 334 I HN -0.084 nan 8.210 nan 0.000 0.438 335 V N 6.795 126.429 119.914 -0.468 0.000 2.407 335 V HA 0.336 4.456 4.120 -0.000 0.000 0.278 335 V C -0.667 175.179 176.094 -0.412 0.000 1.037 335 V CA -0.670 61.383 62.300 -0.411 0.000 0.900 335 V CB 0.474 31.990 31.823 -0.511 0.000 0.983 335 V HN 0.420 nan 8.190 nan 0.000 0.459 336 Y N 1.795 122.030 120.300 -0.108 0.000 2.360 336 Y HA 0.627 5.176 4.550 -0.000 0.000 0.337 336 Y C 0.695 176.534 175.900 -0.102 0.000 1.039 336 Y CA -0.603 57.458 58.100 -0.065 0.000 1.109 336 Y CB 2.116 40.587 38.460 0.017 0.000 1.201 336 Y HN 0.550 nan 8.280 nan 0.000 0.458 337 T N 5.257 119.827 114.554 0.026 0.000 2.847 337 T HA 0.621 4.971 4.350 -0.000 0.000 0.291 337 T C -0.711 173.939 174.700 -0.083 0.000 0.998 337 T CA -0.673 61.390 62.100 -0.062 0.000 0.967 337 T CB 0.317 69.130 68.868 -0.093 0.000 0.954 337 T HN 0.368 nan 8.240 nan 0.000 0.441 338 L N 1.726 122.877 121.223 -0.119 0.000 2.323 338 L HA 0.596 4.936 4.340 -0.000 0.000 0.265 338 L C -0.003 176.751 176.870 -0.194 0.000 1.012 338 L CA -1.255 53.479 54.840 -0.176 0.000 0.820 338 L CB 1.649 43.577 42.059 -0.217 0.000 1.334 338 L HN 0.508 nan 8.230 nan 0.000 0.427 339 D N 1.431 121.698 120.400 -0.221 0.000 2.343 339 D HA 0.030 4.670 4.640 -0.000 0.000 0.255 339 D C 1.034 177.184 176.300 -0.250 0.000 1.187 339 D CA -0.235 53.644 54.000 -0.201 0.000 0.875 339 D CB 1.230 41.917 40.800 -0.187 0.000 1.136 339 D HN 0.573 nan 8.370 nan 0.000 0.469 340 R N 1.724 122.116 120.500 -0.180 0.000 2.316 340 R HA -0.085 4.255 4.340 -0.000 0.000 0.202 340 R C 1.403 177.789 176.300 0.143 0.000 1.029 340 R CA 1.307 57.338 56.100 -0.115 0.000 1.018 340 R CB -0.361 29.733 30.300 -0.344 0.000 0.888 340 R HN 0.396 nan 8.270 nan 0.000 0.471 341 T N -1.484 113.081 114.554 0.017 0.000 2.976 341 T HA -0.042 4.308 4.350 -0.000 0.000 0.257 341 T C 1.075 175.796 174.700 0.036 0.000 1.051 341 T CA 0.868 63.016 62.100 0.080 0.000 1.141 341 T CB 0.100 68.980 68.868 0.019 0.000 0.881 341 T HN 0.514 nan 8.240 nan 0.000 0.461 342 D N -0.714 119.576 120.400 -0.183 0.000 2.514 342 D HA 0.317 4.957 4.640 -0.000 0.000 0.225 342 D C 1.521 177.408 176.300 -0.689 0.000 1.159 342 D CA 0.408 54.243 54.000 -0.274 0.000 0.823 342 D CB -0.322 40.370 40.800 -0.180 0.000 1.097 342 D HN 0.597 nan 8.370 nan 0.000 0.519 343 G N 0.082 108.229 108.800 -1.090 0.000 2.157 343 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.248 343 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.248 343 G C 0.529 175.175 174.900 -0.423 0.000 0.979 343 G CA 0.004 44.390 45.100 -1.191 0.000 0.650 343 G HN 0.853 nan 8.290 nan 0.000 0.529 344 A N 0.252 122.870 122.820 -0.336 0.000 2.477 344 A HA 0.596 4.916 4.320 -0.000 0.000 0.246 344 A C 0.826 178.309 177.584 -0.169 0.000 1.078 344 A CA 0.055 51.974 52.037 -0.197 0.000 0.770 344 A CB 0.321 19.216 19.000 -0.175 0.000 1.011 344 A HN 0.954 nan 8.150 nan 0.000 0.494 345 L N 3.652 124.806 121.223 -0.116 0.000 2.410 345 L HA 0.094 4.434 4.340 -0.000 0.000 0.273 345 L C 0.880 177.684 176.870 -0.111 0.000 1.144 345 L CA -0.242 54.503 54.840 -0.159 0.000 0.863 345 L CB 1.043 43.003 42.059 -0.165 0.000 1.140 345 L HN 0.665 nan 8.230 nan 0.000 0.463 346 V N 1.588 121.437 119.914 -0.108 0.000 2.627 346 V HA 0.098 4.218 4.120 -0.000 0.000 0.239 346 V C 0.543 176.592 176.094 -0.075 0.000 1.077 346 V CA 0.888 63.135 62.300 -0.090 0.000 1.103 346 V CB 0.847 32.613 31.823 -0.096 0.000 0.802 346 V HN 0.863 nan 8.190 nan 0.000 0.482 347 S N -0.662 114.996 115.700 -0.070 0.000 2.550 347 S HA 0.831 5.301 4.470 -0.000 0.000 0.270 347 S C -0.864 173.692 174.600 -0.073 0.000 1.145 347 S CA -0.033 58.129 58.200 -0.063 0.000 0.852 347 S CB 2.287 65.451 63.200 -0.059 0.000 1.119 347 S HN 0.842 nan 8.310 nan 0.000 0.465 348 A N 2.397 125.150 122.820 -0.112 0.000 2.876 348 A HA 0.628 4.948 4.320 -0.000 0.000 0.309 348 A C -0.843 176.602 177.584 -0.230 0.000 1.168 348 A CA -0.742 51.136 52.037 -0.264 0.000 0.762 348 A CB 0.098 18.961 19.000 -0.229 0.000 1.262 348 A HN 0.674 nan 8.150 nan 0.000 0.435 349 N N 1.041 119.624 118.700 -0.195 0.000 2.472 349 N HA 0.342 5.081 4.740 -0.000 0.000 0.289 349 N C -0.473 174.944 175.510 -0.154 0.000 1.156 349 N CA -0.318 52.667 53.050 -0.109 0.000 0.940 349 N CB 1.190 39.691 38.487 0.023 0.000 1.200 349 N HN 0.527 nan 8.380 nan 0.000 0.511 350 K N 1.091 121.456 120.400 -0.058 0.000 2.270 350 K HA 0.213 4.533 4.320 -0.000 0.000 0.276 350 K C 1.196 177.795 176.600 -0.002 0.000 1.023 350 K CA -0.240 56.017 56.287 -0.050 0.000 0.955 350 K CB 1.036 33.529 32.500 -0.013 0.000 0.975 350 K HN 0.368 nan 8.250 nan 0.000 0.471 351 L N 1.077 122.280 121.223 -0.034 0.000 2.217 351 L HA -0.095 4.245 4.340 -0.000 0.000 0.211 351 L C 0.366 177.155 176.870 -0.136 0.000 1.107 351 L CA 1.064 55.879 54.840 -0.042 0.000 0.783 351 L CB -0.004 42.064 42.059 0.015 0.000 0.919 351 L HN 0.728 nan 8.230 nan 0.000 0.442 352 D N -2.323 118.070 120.400 -0.011 0.000 2.803 352 D HA 0.048 4.688 4.640 -0.000 0.000 0.218 352 D C -0.062 176.265 176.300 0.045 0.000 1.245 352 D CA -0.504 53.473 54.000 -0.037 0.000 0.821 352 D CB 1.227 42.028 40.800 0.000 0.000 1.626 352 D HN 0.048 nan 8.370 nan 0.000 0.487 353 D N 0.134 120.541 120.400 0.011 0.000 2.351 353 D HA -0.155 4.485 4.640 -0.000 0.000 0.216 353 D C 1.324 177.645 176.300 0.036 0.000 0.968 353 D CA 1.406 55.420 54.000 0.023 0.000 0.899 353 D CB -0.367 40.441 40.800 0.013 0.000 0.907 353 D HN 0.353 nan 8.370 nan 0.000 0.514 354 T N -2.877 111.732 114.554 0.093 0.000 3.194 354 T HA 0.124 4.474 4.350 -0.000 0.000 0.251 354 T C 1.740 176.429 174.700 -0.017 0.000 1.132 354 T CA -0.066 62.081 62.100 0.079 0.000 1.028 354 T CB -0.314 68.660 68.868 0.176 0.000 0.976 354 T HN 0.031 nan 8.240 nan 0.000 0.535 355 V N 3.237 123.118 119.914 -0.055 0.000 2.215 355 V HA -0.371 3.748 4.120 -0.000 0.000 0.249 355 V C 2.394 178.269 176.094 -0.365 0.000 1.054 355 V CA 2.642 64.777 62.300 -0.275 0.000 1.012 355 V CB -1.127 30.546 31.823 -0.250 0.000 0.639 355 V HN 0.966 nan 8.190 nan 0.000 0.448 356 N N -1.857 116.681 118.700 -0.270 0.000 2.927 356 N HA -0.262 4.478 4.740 -0.000 0.000 0.215 356 N C 0.847 176.184 175.510 -0.288 0.000 0.868 356 N CA 2.009 54.865 53.050 -0.323 0.000 1.075 356 N CB -1.904 36.220 38.487 -0.605 0.000 0.989 356 N HN 0.437 nan 8.380 nan 0.000 0.609 357 V N -0.768 118.873 119.914 -0.455 0.000 2.548 357 V HA 0.304 4.424 4.120 -0.000 0.000 0.249 357 V C 0.495 176.319 176.094 -0.450 0.000 1.055 357 V CA 1.572 63.531 62.300 -0.569 0.000 1.065 357 V CB -0.321 30.812 31.823 -1.151 0.000 0.681 357 V HN 0.329 nan 8.190 nan 0.000 0.462 358 F N -0.499 119.351 119.950 -0.166 0.000 2.540 358 F HA 0.436 4.963 4.527 -0.000 0.000 0.317 358 F C 1.072 176.837 175.800 -0.058 0.000 1.104 358 F CA -0.982 56.963 58.000 -0.090 0.000 0.913 358 F CB 1.896 40.827 39.000 -0.114 0.000 1.170 358 F HN -0.243 nan 8.300 nan 0.000 0.450 359 K N 0.922 121.434 120.400 0.187 0.000 2.103 359 K HA 0.015 4.335 4.320 -0.000 0.000 0.204 359 K C 0.324 176.967 176.600 0.072 0.000 1.052 359 K CA 1.067 57.415 56.287 0.101 0.000 0.945 359 K CB 0.063 32.614 32.500 0.085 0.000 0.722 359 K HN 0.720 nan 8.250 nan 0.000 0.443 360 S N -1.475 114.269 115.700 0.072 0.000 2.660 360 S HA 0.264 4.734 4.470 -0.000 0.000 0.264 360 S C -1.256 173.326 174.600 -0.029 0.000 1.131 360 S CA -1.197 57.015 58.200 0.021 0.000 0.846 360 S CB 1.329 64.534 63.200 0.009 0.000 1.151 360 S HN -0.171 nan 8.310 nan 0.000 0.486 361 V N 1.979 121.865 119.914 -0.046 0.000 2.407 361 V HA 0.480 4.600 4.120 -0.000 0.000 0.291 361 V C -0.758 175.327 176.094 -0.015 0.000 1.018 361 V CA -0.521 61.748 62.300 -0.052 0.000 0.842 361 V CB 1.417 33.221 31.823 -0.033 0.000 0.996 361 V HN 0.931 nan 8.190 nan 0.000 0.426 362 D N 4.173 124.572 120.400 -0.002 0.000 2.339 362 D HA 0.164 4.803 4.640 -0.000 0.000 0.256 362 D C 1.025 177.347 176.300 0.037 0.000 1.214 362 D CA 0.048 54.057 54.000 0.015 0.000 0.877 362 D CB 1.439 42.251 40.800 0.022 0.000 1.111 362 D HN 0.467 nan 8.370 nan 0.000 0.478 363 L N 3.733 124.968 121.223 0.020 0.000 2.201 363 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 363 L C 2.317 179.219 176.870 0.053 0.000 1.105 363 L CA 0.896 55.750 54.840 0.022 0.000 0.775 363 L CB -0.288 41.765 42.059 -0.009 0.000 0.913 363 L HN 0.343 nan 8.230 nan 0.000 0.440 364 K N 0.439 120.863 120.400 0.039 0.000 2.076 364 K HA -0.098 4.222 4.320 -0.000 0.000 0.204 364 K C 1.839 178.494 176.600 0.092 0.000 1.051 364 K CA 2.036 58.337 56.287 0.024 0.000 0.949 364 K CB -1.027 31.458 32.500 -0.025 0.000 0.726 364 K HN 0.225 nan 8.250 nan 0.000 0.443 365 T N -3.937 110.691 114.554 0.123 0.000 3.014 365 T HA 0.230 4.580 4.350 -0.000 0.000 0.263 365 T C 1.672 176.563 174.700 0.318 0.000 1.078 365 T CA 0.547 62.773 62.100 0.210 0.000 1.135 365 T CB -0.489 68.448 68.868 0.115 0.000 0.895 365 T HN 0.542 nan 8.240 nan 0.000 0.480 366 G N 0.930 109.873 108.800 0.237 0.000 2.179 366 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.260 366 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.260 366 G C -0.060 174.963 174.900 0.205 0.000 0.977 366 G CA -0.045 45.209 45.100 0.257 0.000 0.641 366 G HN 0.616 nan 8.290 nan 0.000 0.533 367 Q N 0.980 120.842 119.800 0.104 0.000 2.274 367 Q HA 0.399 4.739 4.340 -0.000 0.000 0.256 367 Q C -2.305 173.654 176.000 -0.068 0.000 0.927 367 Q CA -1.851 53.956 55.803 0.006 0.000 0.939 367 Q CB 1.929 30.670 28.738 0.004 0.000 1.201 367 Q HN 0.352 nan 8.270 nan 0.000 0.426 368 P HA 0.084 nan 4.420 nan 0.000 0.282 368 P C -0.355 176.765 177.300 -0.299 0.000 1.262 368 P CA -0.282 62.559 63.100 -0.431 0.000 0.773 368 P CB 0.805 31.859 31.700 -1.076 0.000 0.879 369 V N 5.755 125.586 119.914 -0.139 0.000 2.397 369 V HA 0.111 4.231 4.120 -0.000 0.000 0.262 369 V C 1.287 177.469 176.094 0.147 0.000 1.047 369 V CA -0.141 62.163 62.300 0.006 0.000 1.003 369 V CB -0.769 31.070 31.823 0.028 0.000 1.037 369 V HN 0.469 nan 8.190 nan 0.000 0.480 370 R N 2.965 123.593 120.500 0.213 0.000 2.594 370 R HA 0.274 4.613 4.340 -0.000 0.000 0.272 370 R C -0.132 176.309 176.300 0.234 0.000 1.074 370 R CA -0.457 55.865 56.100 0.371 0.000 1.105 370 R CB 0.608 31.128 30.300 0.366 0.000 1.008 370 R HN 0.619 nan 8.270 nan 0.000 0.472 371 D N 2.840 123.377 120.400 0.229 0.000 2.427 371 D HA 0.187 4.826 4.640 -0.000 0.000 0.226 371 D C -1.826 174.550 176.300 0.127 0.000 1.076 371 D CA -2.577 51.522 54.000 0.164 0.000 0.849 371 D CB 1.617 42.549 40.800 0.219 0.000 1.052 371 D HN 0.159 nan 8.370 nan 0.000 0.515 372 P HA -0.145 nan 4.420 nan 0.000 0.218 372 P C 1.005 178.269 177.300 -0.060 0.000 1.146 372 P CA 0.817 63.931 63.100 0.024 0.000 0.820 372 P CB 0.376 32.075 31.700 -0.002 0.000 0.778 373 E N -1.737 118.358 120.200 -0.175 0.000 2.268 373 E HA -0.146 4.204 4.350 -0.000 0.000 0.195 373 E C 0.480 176.731 176.600 -0.581 0.000 0.995 373 E CA 0.734 56.887 56.400 -0.412 0.000 0.836 373 E CB -0.106 29.236 29.700 -0.596 0.000 0.763 373 E HN 0.416 nan 8.360 nan 0.000 0.491 374 Y N -0.958 119.398 120.300 0.094 0.000 2.607 374 Y HA 0.299 4.848 4.550 -0.000 0.000 0.266 374 Y C 0.851 176.896 175.900 0.242 0.000 1.178 374 Y CA -0.544 57.623 58.100 0.110 0.000 1.226 374 Y CB 1.049 39.506 38.460 -0.005 0.000 1.144 374 Y HN -0.076 nan 8.280 nan 0.000 0.528 375 G N 0.387 109.350 108.800 0.272 0.000 2.528 375 G HA2 0.436 4.396 3.960 -0.000 0.000 0.289 375 G HA3 0.436 4.396 3.960 -0.000 0.000 0.289 375 G C -0.189 174.743 174.900 0.053 0.000 1.192 375 G CA -0.328 44.924 45.100 0.254 0.000 0.921 375 G HN 0.097 nan 8.290 nan 0.000 0.512 376 T N -2.394 112.015 114.554 -0.241 0.000 2.940 376 T HA 0.804 5.154 4.350 -0.000 0.000 0.288 376 T C -0.249 174.393 174.700 -0.097 0.000 1.033 376 T CA -0.827 61.142 62.100 -0.219 0.000 1.033 376 T CB 1.983 70.400 68.868 -0.752 0.000 1.079 376 T HN 1.119 nan 8.240 nan 0.000 0.496 377 R N 1.428 121.979 120.500 0.084 0.000 2.753 377 R HA 0.494 4.834 4.340 -0.000 0.000 0.272 377 R C -1.210 175.186 176.300 0.160 0.000 1.034 377 R CA -1.031 55.116 56.100 0.078 0.000 0.869 377 R CB 0.887 31.198 30.300 0.019 0.000 1.264 377 R HN 0.616 nan 8.270 nan 0.000 0.481 378 M N 2.367 122.039 119.600 0.119 0.000 2.252 378 M HA 0.089 4.568 4.480 -0.000 0.000 0.321 378 M C -0.230 176.157 176.300 0.146 0.000 1.070 378 M CA 1.282 56.660 55.300 0.129 0.000 1.143 378 M CB -0.295 32.361 32.600 0.093 0.000 1.498 378 M HN 0.765 nan 8.290 nan 0.000 0.445 379 D N 1.808 122.297 120.400 0.149 0.000 2.772 379 D HA -0.250 4.390 4.640 -0.000 0.000 0.233 379 D C -0.560 175.861 176.300 0.202 0.000 1.143 379 D CA 1.174 55.259 54.000 0.143 0.000 0.700 379 D CB -1.593 39.272 40.800 0.107 0.000 1.076 379 D HN 0.809 nan 8.370 nan 0.000 0.430 380 H N -0.552 118.576 119.070 0.097 0.000 3.087 380 H HA 0.378 4.934 4.556 -0.000 0.000 0.348 380 H C -1.539 173.870 175.328 0.136 0.000 1.092 380 H CA -0.866 55.239 56.048 0.095 0.000 1.285 380 H CB 1.370 31.175 29.762 0.072 0.000 1.875 380 H HN 0.011 nan 8.280 nan 0.000 0.512 381 L N 4.995 125.962 121.223 -0.426 0.000 2.259 381 L HA 0.578 4.918 4.340 -0.000 0.000 0.288 381 L C -0.417 176.160 176.870 -0.488 0.000 1.051 381 L CA -0.130 54.552 54.840 -0.264 0.000 0.824 381 L CB 0.268 42.277 42.059 -0.084 0.000 1.206 381 L HN 0.656 nan 8.230 nan 0.000 0.429 382 A N 5.670 128.378 122.820 -0.186 0.000 2.327 382 A HA 0.687 5.007 4.320 -0.000 0.000 0.283 382 A C -0.271 177.407 177.584 0.157 0.000 1.127 382 A CA -0.424 51.631 52.037 0.031 0.000 0.810 382 A CB 0.362 19.495 19.000 0.221 0.000 1.066 382 A HN 0.765 nan 8.150 nan 0.000 0.492 383 K N 0.795 121.315 120.400 0.200 0.000 2.435 383 K HA 0.422 4.741 4.320 -0.000 0.000 0.251 383 K C -1.070 175.719 176.600 0.315 0.000 0.954 383 K CA -0.928 55.505 56.287 0.244 0.000 0.820 383 K CB 1.685 34.288 32.500 0.171 0.000 1.292 383 K HN 0.701 nan 8.250 nan 0.000 0.436 384 D N 1.268 121.868 120.400 0.333 0.000 2.772 384 D HA -0.192 4.448 4.640 -0.000 0.000 0.233 384 D C -0.529 175.838 176.300 0.111 0.000 1.143 384 D CA 0.931 55.098 54.000 0.279 0.000 0.700 384 D CB -0.904 40.028 40.800 0.220 0.000 1.076 384 D HN 0.404 nan 8.370 nan 0.000 0.430 385 I N 0.813 121.457 120.570 0.124 0.000 2.396 385 I HA 0.101 4.270 4.170 -0.000 0.000 0.289 385 I C 0.797 176.804 176.117 -0.182 0.000 1.056 385 I CA -0.112 61.169 61.300 -0.031 0.000 1.365 385 I CB 1.034 39.097 38.000 0.105 0.000 1.407 385 I HN 0.011 nan 8.210 nan 0.000 0.509 386 c N 7.578 125.957 118.600 -0.368 0.000 2.408 386 c HA 0.495 5.064 4.570 -0.000 0.000 0.321 386 c C -2.202 171.478 174.090 -0.684 0.000 1.245 386 c CA -1.395 54.661 56.329 -0.454 0.000 1.523 386 c CB 1.513 43.799 42.510 -0.374 0.000 2.178 386 c HN 0.467 nan 8.230 nan 0.000 0.488 387 P HA 0.261 nan 4.420 nan 0.000 0.276 387 P C -0.184 177.032 177.300 -0.141 0.000 1.261 387 P CA -0.104 62.565 63.100 -0.718 0.000 0.800 387 P CB 0.601 31.821 31.700 -0.800 0.000 1.066 388 S N -0.062 115.640 115.700 0.003 0.000 2.641 388 S HA 0.369 4.838 4.470 -0.000 0.000 0.261 388 S C 1.440 176.208 174.600 0.281 0.000 1.257 388 S CA 0.084 58.349 58.200 0.109 0.000 0.983 388 S CB -0.167 63.056 63.200 0.039 0.000 0.990 388 S HN 0.455 nan 8.310 nan 0.000 0.572 389 A N 0.226 123.246 122.820 0.332 0.000 2.076 389 A HA -0.040 4.280 4.320 -0.000 0.000 0.220 389 A C 2.082 179.966 177.584 0.500 0.000 1.160 389 A CA 1.377 53.665 52.037 0.418 0.000 0.653 389 A CB -1.012 18.294 19.000 0.510 0.000 0.801 389 A HN 0.821 nan 8.150 nan 0.000 0.455 390 M N -0.904 118.863 119.600 0.278 0.000 2.562 390 M HA 0.160 4.640 4.480 -0.000 0.000 0.257 390 M C 1.189 177.723 176.300 0.389 0.000 1.099 390 M CA 0.688 56.165 55.300 0.294 0.000 1.099 390 M CB -0.424 32.214 32.600 0.063 0.000 1.427 390 M HN 0.592 nan 8.290 nan 0.000 0.489 391 G N -0.115 108.882 108.800 0.329 0.000 2.860 391 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.553 391 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.553 391 G C -0.266 174.808 174.900 0.291 0.000 1.439 391 G CA -0.543 44.689 45.100 0.219 0.000 0.879 391 G HN 0.523 nan 8.290 nan 0.000 0.545 392 Y N 0.221 120.502 120.300 -0.032 0.000 2.490 392 Y HA 0.167 4.717 4.550 -0.000 0.000 0.281 392 Y C 1.325 177.251 175.900 0.044 0.000 1.174 392 Y CA 0.475 58.568 58.100 -0.012 0.000 1.295 392 Y CB 0.322 38.738 38.460 -0.073 0.000 1.062 392 Y HN 0.657 nan 8.280 nan 0.000 0.522 393 H N -0.518 118.608 119.070 0.093 0.000 3.123 393 H HA 0.219 4.774 4.556 -0.000 0.000 0.346 393 H C -1.538 173.766 175.328 -0.040 0.000 1.138 393 H CA -0.464 55.583 56.048 -0.002 0.000 1.273 393 H CB 1.723 31.455 29.762 -0.050 0.000 1.926 393 H HN 0.102 nan 8.280 nan 0.000 0.524 394 N N 0.798 119.441 118.700 -0.095 0.000 3.427 394 N HA -0.016 4.723 4.740 -0.000 0.000 0.364 394 N C 0.958 176.486 175.510 0.030 0.000 1.538 394 N CA -0.291 52.692 53.050 -0.112 0.000 0.662 394 N CB 1.244 39.305 38.487 -0.711 0.000 1.881 394 N HN 0.657 nan 8.380 nan 0.000 0.634 395 Q N 0.721 120.530 119.800 0.015 0.000 2.458 395 Q HA -0.066 4.274 4.340 -0.000 0.000 0.215 395 Q C 0.026 176.317 176.000 0.485 0.000 0.989 395 Q CA 0.859 56.841 55.803 0.298 0.000 0.895 395 Q CB -0.958 28.054 28.738 0.457 0.000 0.934 395 Q HN 0.604 nan 8.270 nan 0.000 0.475 396 G N 1.153 110.073 108.800 0.199 0.000 2.305 396 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.243 396 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.243 396 G C -0.808 174.272 174.900 0.300 0.000 1.288 396 G CA -0.197 45.076 45.100 0.290 0.000 0.901 396 G HN 0.386 nan 8.290 nan 0.000 0.516 397 H N 2.809 121.902 119.070 0.038 0.000 2.761 397 H HA 0.188 4.744 4.556 -0.000 0.000 0.284 397 H C -0.090 175.161 175.328 -0.128 0.000 1.105 397 H CA -0.542 55.271 56.048 -0.392 0.000 1.352 397 H CB 0.464 29.503 29.762 -1.205 0.000 1.423 397 H HN 0.477 nan 8.280 nan 0.000 0.464 398 D N 1.819 122.252 120.400 0.056 0.000 2.376 398 D HA 0.122 4.762 4.640 -0.000 0.000 0.268 398 D C 0.475 176.973 176.300 0.331 0.000 1.252 398 D CA -0.131 54.013 54.000 0.240 0.000 1.041 398 D CB 0.811 41.766 40.800 0.258 0.000 1.109 398 D HN 0.608 nan 8.370 nan 0.000 0.552 399 S N -1.594 114.350 115.700 0.405 0.000 2.661 399 S HA 0.632 5.101 4.470 -0.000 0.000 0.285 399 S C -1.460 173.418 174.600 0.463 0.000 1.138 399 S CA -0.921 57.555 58.200 0.461 0.000 0.855 399 S CB 1.887 65.393 63.200 0.510 0.000 1.136 399 S HN 0.534 nan 8.310 nan 0.000 0.484 400 Y N 0.754 121.178 120.300 0.207 0.000 2.396 400 Y HA 0.484 5.034 4.550 -0.000 0.000 0.332 400 Y C -1.710 174.087 175.900 -0.172 0.000 1.034 400 Y CA -0.585 57.410 58.100 -0.174 0.000 1.057 400 Y CB 1.715 39.942 38.460 -0.388 0.000 1.220 400 Y HN 0.837 nan 8.280 nan 0.000 0.440 401 D N 8.182 128.037 120.400 -0.909 0.000 2.359 401 D HA 0.292 4.932 4.640 -0.000 0.000 0.230 401 D C -2.158 173.254 176.300 -1.481 0.000 1.118 401 D CA -2.418 50.990 54.000 -0.986 0.000 0.844 401 D CB 2.178 42.831 40.800 -0.243 0.000 1.059 401 D HN 0.380 nan 8.370 nan 0.000 0.493 402 P HA -0.104 nan 4.420 nan 0.000 0.217 402 P C 1.269 178.277 177.300 -0.486 0.000 1.150 402 P CA 1.033 63.676 63.100 -0.760 0.000 0.832 402 P CB 0.372 31.812 31.700 -0.432 0.000 0.787 403 K N -0.050 120.084 120.400 -0.443 0.000 2.057 403 K HA -0.092 4.228 4.320 -0.000 0.000 0.206 403 K C 2.111 178.587 176.600 -0.207 0.000 1.050 403 K CA 1.240 57.392 56.287 -0.225 0.000 0.935 403 K CB -0.079 32.348 32.500 -0.121 0.000 0.715 403 K HN -0.070 nan 8.250 nan 0.000 0.439 404 R N 0.306 120.645 120.500 -0.269 0.000 2.246 404 R HA 0.039 4.379 4.340 -0.000 0.000 0.199 404 R C -0.236 175.892 176.300 -0.287 0.000 0.984 404 R CA 0.464 56.442 56.100 -0.204 0.000 1.015 404 R CB 0.284 30.522 30.300 -0.103 0.000 0.930 404 R HN 0.278 nan 8.270 nan 0.000 0.475 405 E N 0.158 120.082 120.200 -0.459 0.000 2.389 405 E HA -0.223 4.127 4.350 -0.000 0.000 0.243 405 E C -1.226 175.145 176.600 -0.380 0.000 1.154 405 E CA 0.176 56.358 56.400 -0.362 0.000 0.723 405 E CB -0.891 28.733 29.700 -0.125 0.000 1.261 405 E HN 0.011 nan 8.360 nan 0.000 0.390 406 L N 0.490 121.307 121.223 -0.678 0.000 2.365 406 L HA 0.541 4.881 4.340 -0.000 0.000 0.273 406 L C -0.540 175.785 176.870 -0.907 0.000 1.000 406 L CA -0.376 54.067 54.840 -0.663 0.000 0.819 406 L CB 1.218 42.887 42.059 -0.650 0.000 1.284 406 L HN 0.015 nan 8.230 nan 0.000 0.418 407 F N 3.595 123.311 119.950 -0.389 0.000 2.408 407 F HA 0.465 4.992 4.527 -0.000 0.000 0.344 407 F C -0.257 175.273 175.800 -0.450 0.000 1.112 407 F CA -0.149 57.725 58.000 -0.210 0.000 1.096 407 F CB 0.858 39.901 39.000 0.072 0.000 1.129 407 F HN 0.196 nan 8.300 nan 0.000 0.486 408 F N 4.270 124.353 119.950 0.221 0.000 2.332 408 F HA 0.492 5.019 4.527 -0.000 0.000 0.368 408 F C -0.095 175.796 175.800 0.151 0.000 1.110 408 F CA -0.639 57.420 58.000 0.099 0.000 1.087 408 F CB 0.774 39.855 39.000 0.134 0.000 1.235 408 F HN 0.197 nan 8.300 nan 0.000 0.470 409 M N 2.640 122.381 119.600 0.235 0.000 2.364 409 M HA 0.457 4.937 4.480 -0.000 0.000 0.334 409 M C 0.343 176.710 176.300 0.112 0.000 1.107 409 M CA -0.718 54.712 55.300 0.216 0.000 0.988 409 M CB 1.915 34.637 32.600 0.203 0.000 1.673 409 M HN 0.668 nan 8.290 nan 0.000 0.441 410 G N 4.029 112.879 108.800 0.083 0.000 2.356 410 G HA2 0.584 4.544 3.960 -0.000 0.000 0.300 410 G HA3 0.584 4.544 3.960 -0.000 0.000 0.300 410 G C -0.579 174.227 174.900 -0.156 0.000 1.107 410 G CA -0.354 44.733 45.100 -0.023 0.000 0.960 410 G HN 0.650 nan 8.290 nan 0.000 0.418 411 I N 1.680 122.205 120.570 -0.074 0.000 2.607 411 I HA 0.271 4.441 4.170 -0.000 0.000 0.305 411 I C 0.069 176.177 176.117 -0.015 0.000 0.995 411 I CA -0.861 60.390 61.300 -0.082 0.000 1.148 411 I CB 2.099 40.049 38.000 -0.083 0.000 1.323 411 I HN 0.449 nan 8.210 nan 0.000 0.461 412 N N 2.238 120.937 118.700 -0.000 0.000 2.405 412 N HA 0.309 5.048 4.740 -0.000 0.000 0.299 412 N C -0.851 174.605 175.510 -0.090 0.000 1.075 412 N CA -0.689 52.425 53.050 0.107 0.000 0.884 412 N CB 1.307 39.955 38.487 0.268 0.000 1.194 412 N HN 0.556 nan 8.380 nan 0.000 0.491 413 H N 2.925 121.902 119.070 -0.157 0.000 2.418 413 H HA 0.371 4.927 4.556 -0.000 0.000 0.238 413 H C -1.248 174.044 175.328 -0.061 0.000 1.403 413 H CA -0.332 55.533 56.048 -0.305 0.000 1.419 413 H CB 0.156 29.754 29.762 -0.272 0.000 1.463 413 H HN 0.501 nan 8.280 nan 0.000 0.515 414 I N 2.562 123.119 120.570 -0.022 0.000 2.569 414 I HA 0.271 4.441 4.170 -0.000 0.000 0.290 414 I C -0.270 175.834 176.117 -0.021 0.000 1.088 414 I CA -0.616 60.663 61.300 -0.035 0.000 1.047 414 I CB 2.063 40.081 38.000 0.031 0.000 1.237 414 I HN 0.324 nan 8.210 nan 0.000 0.421 415 c N 5.254 123.716 118.600 -0.230 0.000 2.871 415 c HA 0.898 5.468 4.570 -0.000 0.000 0.351 415 c C -0.092 173.616 174.090 -0.637 0.000 1.338 415 c CA -0.583 55.571 56.329 -0.291 0.000 1.686 415 c CB 1.869 44.295 42.510 -0.141 0.000 2.135 415 c HN 0.913 nan 8.230 nan 0.000 0.476 416 M N 0.077 119.442 119.600 -0.392 0.000 2.773 416 M HA 0.633 5.113 4.480 -0.000 0.000 0.270 416 M C -2.490 173.903 176.300 0.154 0.000 1.238 416 M CA -0.289 54.852 55.300 -0.265 0.000 0.832 416 M CB 1.878 34.490 32.600 0.021 0.000 1.672 416 M HN 0.366 nan 8.290 nan 0.000 0.480 417 D N 1.000 121.567 120.400 0.278 0.000 2.269 417 D HA 0.661 5.301 4.640 -0.000 0.000 0.244 417 D C -1.858 174.674 176.300 0.386 0.000 0.992 417 D CA 0.399 54.602 54.000 0.337 0.000 0.894 417 D CB 2.186 43.175 40.800 0.317 0.000 1.248 417 D HN 0.634 nan 8.370 nan 0.000 0.468 418 W N 1.959 123.337 121.300 0.129 0.000 3.439 418 W HA 0.360 5.020 4.660 -0.000 0.000 0.323 418 W C -1.755 174.818 176.519 0.089 0.000 1.174 418 W CA -0.586 56.837 57.345 0.129 0.000 1.224 418 W CB 1.293 30.838 29.460 0.141 0.000 1.348 418 W HN 0.431 nan 8.180 nan 0.000 0.498 419 E N 7.736 128.083 120.200 0.246 0.000 2.278 419 E HA 0.503 4.852 4.350 -0.000 0.000 0.272 419 E C -2.648 174.029 176.600 0.128 0.000 0.890 419 E CA -1.824 54.724 56.400 0.248 0.000 0.770 419 E CB 3.301 33.090 29.700 0.149 0.000 1.212 419 E HN -0.009 nan 8.360 nan 0.000 0.415 420 P HA 0.405 nan 4.420 nan 0.000 0.283 420 P C -1.141 176.234 177.300 0.126 0.000 1.278 420 P CA -0.509 62.635 63.100 0.074 0.000 0.834 420 P CB 0.694 32.508 31.700 0.191 0.000 1.150 421 F N -1.946 118.013 119.950 0.016 0.000 2.631 421 F HA 0.560 5.087 4.527 -0.000 0.000 0.308 421 F C -0.704 175.104 175.800 0.015 0.000 1.097 421 F CA -1.581 56.426 58.000 0.013 0.000 0.952 421 F CB 0.734 39.726 39.000 -0.012 0.000 1.307 421 F HN -0.032 nan 8.300 nan 0.000 0.450 422 M N 4.262 124.002 119.600 0.234 0.000 2.242 422 M HA 0.551 5.031 4.480 -0.000 0.000 0.344 422 M C -0.687 175.755 176.300 0.237 0.000 1.140 422 M CA -0.388 55.004 55.300 0.153 0.000 1.160 422 M CB 1.075 33.758 32.600 0.138 0.000 1.491 422 M HN 0.741 nan 8.290 nan 0.000 0.459 423 L N 1.648 122.976 121.223 0.175 0.000 2.653 423 L HA 0.783 5.123 4.340 -0.000 0.000 0.257 423 L C -3.184 173.856 176.870 0.284 0.000 0.969 423 L CA -2.025 52.955 54.840 0.232 0.000 0.869 423 L CB -0.067 42.143 42.059 0.251 0.000 1.439 423 L HN 0.362 nan 8.230 nan 0.000 0.414 424 P HA 0.464 nan 4.420 nan 0.000 0.278 424 P C -1.655 175.787 177.300 0.237 0.000 1.258 424 P CA -0.141 63.089 63.100 0.218 0.000 0.811 424 P CB 0.554 32.316 31.700 0.103 0.000 1.063 425 Y N 1.281 121.528 120.300 -0.088 0.000 2.328 425 Y HA 0.568 5.117 4.550 -0.000 0.000 0.337 425 Y C -0.552 175.193 175.900 -0.258 0.000 1.008 425 Y CA -0.710 57.107 58.100 -0.473 0.000 1.129 425 Y CB 1.041 38.931 38.460 -0.950 0.000 1.185 425 Y HN 0.194 nan 8.280 nan 0.000 0.476 426 R N 4.597 124.516 120.500 -0.968 0.000 2.502 426 R HA 0.552 4.892 4.340 -0.000 0.000 0.298 426 R C -0.904 174.846 176.300 -0.917 0.000 1.018 426 R CA -0.689 54.972 56.100 -0.732 0.000 0.899 426 R CB 1.436 31.539 30.300 -0.328 0.000 1.181 426 R HN 0.810 nan 8.270 nan 0.000 0.444 427 A N 1.591 123.895 122.820 -0.860 0.000 2.566 427 A HA 0.393 4.713 4.320 -0.000 0.000 0.245 427 A C 1.456 178.860 177.584 -0.301 0.000 1.056 427 A CA 1.342 53.080 52.037 -0.497 0.000 0.757 427 A CB -0.598 18.279 19.000 -0.206 0.000 0.979 427 A HN 1.106 nan 8.150 nan 0.000 0.508 428 G N 1.438 110.096 108.800 -0.237 0.000 2.258 428 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.233 428 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.233 428 G C 0.283 175.051 174.900 -0.220 0.000 1.006 428 G CA 0.483 45.468 45.100 -0.191 0.000 0.620 428 G HN 0.925 nan 8.290 nan 0.000 0.511 429 Q N -0.492 119.168 119.800 -0.233 0.000 2.205 429 Q HA 0.650 4.990 4.340 -0.000 0.000 0.249 429 Q C -0.271 175.652 176.000 -0.129 0.000 0.948 429 Q CA -0.902 54.815 55.803 -0.143 0.000 0.895 429 Q CB 1.106 29.786 28.738 -0.095 0.000 1.249 429 Q HN 0.205 nan 8.270 nan 0.000 0.458 430 F N 1.046 120.983 119.950 -0.022 0.000 2.553 430 F HA 0.020 4.547 4.527 -0.000 0.000 0.356 430 F C 0.334 176.217 175.800 0.138 0.000 1.142 430 F CA 0.614 58.623 58.000 0.016 0.000 1.322 430 F CB 0.324 39.290 39.000 -0.058 0.000 1.126 430 F HN 0.421 nan 8.300 nan 0.000 0.599 431 F N 3.606 123.624 119.950 0.114 0.000 2.708 431 F HA 0.386 4.912 4.527 -0.000 0.000 0.344 431 F C -0.451 175.346 175.800 -0.006 0.000 1.447 431 F CA -0.591 57.461 58.000 0.087 0.000 1.140 431 F CB -0.265 38.852 39.000 0.195 0.000 1.657 431 F HN 0.172 nan 8.300 nan 0.000 0.598 432 V N 1.213 120.988 119.914 -0.231 0.000 2.484 432 V HA 0.292 4.412 4.120 -0.000 0.000 0.236 432 V C 1.819 177.521 176.094 -0.654 0.000 1.062 432 V CA 1.060 62.977 62.300 -0.638 0.000 1.081 432 V CB -0.893 30.416 31.823 -0.857 0.000 0.751 432 V HN 0.746 nan 8.190 nan 0.000 0.484 433 G N 0.463 108.805 108.800 -0.764 0.000 2.176 433 G HA2 0.050 4.010 3.960 -0.000 0.000 0.252 433 G HA3 0.050 4.010 3.960 -0.000 0.000 0.252 433 G C 0.006 174.164 174.900 -1.235 0.000 1.024 433 G CA 0.532 44.855 45.100 -1.295 0.000 0.755 433 G HN 1.363 nan 8.290 nan 0.000 0.507 434 A N -1.245 121.035 122.820 -0.900 0.000 2.520 434 A HA 0.911 5.231 4.320 -0.000 0.000 0.298 434 A C -0.275 177.112 177.584 -0.328 0.000 1.051 434 A CA 0.464 52.126 52.037 -0.625 0.000 0.690 434 A CB 1.885 20.339 19.000 -0.910 0.000 1.281 434 A HN 1.509 nan 8.150 nan 0.000 0.402 435 T N 1.886 116.333 114.554 -0.179 0.000 2.792 435 T HA 0.634 4.984 4.350 -0.000 0.000 0.280 435 T C -1.081 173.552 174.700 -0.110 0.000 0.990 435 T CA -0.244 61.825 62.100 -0.051 0.000 0.960 435 T CB -0.131 68.777 68.868 0.066 0.000 0.939 435 T HN 0.477 nan 8.240 nan 0.000 0.439 436 L N 4.424 125.622 121.223 -0.041 0.000 2.303 436 L HA 0.714 5.054 4.340 -0.000 0.000 0.266 436 L C -0.165 176.779 176.870 0.123 0.000 1.011 436 L CA -0.835 54.043 54.840 0.063 0.000 0.818 436 L CB 1.999 44.136 42.059 0.129 0.000 1.326 436 L HN 0.736 nan 8.230 nan 0.000 0.435 437 N N 1.197 119.999 118.700 0.170 0.000 2.500 437 N HA 0.638 5.378 4.740 -0.000 0.000 0.291 437 N C -1.627 173.972 175.510 0.148 0.000 1.092 437 N CA -0.319 52.853 53.050 0.204 0.000 0.890 437 N CB 1.126 39.770 38.487 0.260 0.000 1.466 437 N HN 0.514 nan 8.380 nan 0.000 0.507 438 M N 2.864 122.519 119.600 0.091 0.000 2.598 438 M HA 0.535 5.015 4.480 -0.000 0.000 0.317 438 M C -1.193 175.078 176.300 -0.048 0.000 1.179 438 M CA -0.837 54.362 55.300 -0.168 0.000 0.936 438 M CB 1.835 34.381 32.600 -0.090 0.000 1.713 438 M HN 0.621 nan 8.290 nan 0.000 0.460 439 Y N -1.354 118.933 120.300 -0.020 0.000 2.750 439 Y HA 0.669 5.219 4.550 -0.000 0.000 0.335 439 Y C -3.176 172.566 175.900 -0.263 0.000 1.252 439 Y CA -2.893 55.075 58.100 -0.222 0.000 1.064 439 Y CB -0.235 38.084 38.460 -0.236 0.000 1.321 439 Y HN 0.376 nan 8.280 nan 0.000 0.451 440 P HA 0.165 nan 4.420 nan 0.000 0.267 440 P C 0.261 177.546 177.300 -0.024 0.000 1.200 440 P CA 0.598 63.624 63.100 -0.123 0.000 0.772 440 P CB 0.675 32.272 31.700 -0.172 0.000 0.855 441 G N 2.849 111.568 108.800 -0.135 0.000 2.653 441 G HA2 0.144 4.103 3.960 -0.000 0.000 0.265 441 G HA3 0.144 4.103 3.960 -0.000 0.000 0.265 441 G C -1.626 173.290 174.900 0.027 0.000 1.237 441 G CA -1.063 43.851 45.100 -0.311 0.000 0.946 441 G HN 0.315 nan 8.290 nan 0.000 0.522 442 P HA -0.077 nan 4.420 nan 0.000 0.218 442 P C 1.393 178.787 177.300 0.156 0.000 1.146 442 P CA 1.393 64.570 63.100 0.129 0.000 0.813 442 P CB 0.181 31.945 31.700 0.107 0.000 0.778 443 K N -1.379 119.204 120.400 0.304 0.000 2.393 443 K HA 0.188 4.508 4.320 -0.000 0.000 0.193 443 K C 1.357 177.947 176.600 -0.017 0.000 1.026 443 K CA 0.034 56.333 56.287 0.019 0.000 1.064 443 K CB 0.143 32.485 32.500 -0.263 0.000 0.833 443 K HN 0.144 nan 8.250 nan 0.000 0.521 444 G N 0.551 109.403 108.800 0.087 0.000 2.642 444 G HA2 0.053 4.013 3.960 -0.000 0.000 0.291 444 G HA3 0.053 4.013 3.960 -0.000 0.000 0.291 444 G C -1.216 173.671 174.900 -0.022 0.000 1.345 444 G CA -0.375 44.734 45.100 0.014 0.000 1.043 444 G HN -0.035 nan 8.290 nan 0.000 0.528 445 D N -0.814 119.554 120.400 -0.054 0.000 2.443 445 D HA 0.178 4.818 4.640 -0.000 0.000 0.221 445 D C 1.191 177.435 176.300 -0.093 0.000 1.097 445 D CA -0.504 53.465 54.000 -0.051 0.000 0.865 445 D CB 1.178 41.958 40.800 -0.034 0.000 1.034 445 D HN 0.383 nan 8.370 nan 0.000 0.511 446 R N 2.464 122.902 120.500 -0.103 0.000 2.276 446 R HA -0.069 4.271 4.340 -0.000 0.000 0.203 446 R C 0.915 177.164 176.300 -0.084 0.000 1.017 446 R CA 1.141 57.123 56.100 -0.197 0.000 1.010 446 R CB 0.431 30.635 30.300 -0.161 0.000 0.900 446 R HN 0.301 nan 8.270 nan 0.000 0.469 447 Q N -0.676 119.139 119.800 0.025 0.000 2.226 447 Q HA 0.036 4.376 4.340 -0.000 0.000 0.199 447 Q C 1.309 177.431 176.000 0.202 0.000 0.945 447 Q CA 1.095 56.968 55.803 0.116 0.000 0.861 447 Q CB -0.033 28.740 28.738 0.058 0.000 0.953 447 Q HN 0.172 nan 8.270 nan 0.000 0.490 448 N N -0.687 118.102 118.700 0.148 0.000 2.353 448 N HA -0.078 4.662 4.740 -0.000 0.000 0.185 448 N C -0.922 174.745 175.510 0.262 0.000 1.098 448 N CA -0.025 53.123 53.050 0.162 0.000 0.872 448 N CB 0.124 38.663 38.487 0.085 0.000 0.970 448 N HN 0.105 nan 8.380 nan 0.000 0.467 449 Y N -0.043 120.266 120.300 0.014 0.000 3.234 449 Y HA -0.268 4.282 4.550 -0.000 0.000 0.207 449 Y C -0.328 175.555 175.900 -0.030 0.000 1.316 449 Y CA 0.600 58.705 58.100 0.009 0.000 1.309 449 Y CB -1.842 36.641 38.460 0.038 0.000 1.408 449 Y HN 0.262 nan 8.280 nan 0.000 0.544 450 E N -0.709 119.469 120.200 -0.036 0.000 2.433 450 E HA 0.654 5.003 4.350 -0.000 0.000 0.273 450 E C 0.569 177.063 176.600 -0.176 0.000 0.950 450 E CA -0.666 55.623 56.400 -0.186 0.000 0.796 450 E CB 2.159 31.740 29.700 -0.199 0.000 1.330 450 E HN 0.315 nan 8.360 nan 0.000 0.455 451 G N 1.462 110.126 108.800 -0.227 0.000 2.414 451 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.256 451 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.256 451 G C 0.064 174.926 174.900 -0.063 0.000 1.128 451 G CA -0.384 44.636 45.100 -0.133 0.000 0.944 451 G HN 0.260 nan 8.290 nan 0.000 0.500 452 L N -0.137 121.054 121.223 -0.053 0.000 2.667 452 L HA 0.427 4.767 4.340 -0.000 0.000 0.232 452 L C 1.421 178.378 176.870 0.145 0.000 1.138 452 L CA 1.433 56.301 54.840 0.048 0.000 0.921 452 L CB -0.460 41.631 42.059 0.054 0.000 1.180 452 L HN 0.643 nan 8.230 nan 0.000 0.487 453 G N -0.661 108.197 108.800 0.095 0.000 2.725 453 G HA2 0.683 4.642 3.960 -0.000 0.000 0.288 453 G HA3 0.683 4.642 3.960 -0.000 0.000 0.288 453 G C -1.272 173.631 174.900 0.006 0.000 1.399 453 G CA -0.225 44.938 45.100 0.105 0.000 0.859 453 G HN 0.095 nan 8.290 nan 0.000 0.479 454 Q N -1.242 118.554 119.800 -0.007 0.000 2.522 454 Q HA 0.547 4.887 4.340 -0.000 0.000 0.285 454 Q C -1.711 174.273 176.000 -0.027 0.000 0.982 454 Q CA -0.690 55.081 55.803 -0.053 0.000 0.805 454 Q CB 3.329 31.976 28.738 -0.152 0.000 1.457 454 Q HN 0.605 nan 8.270 nan 0.000 0.394 455 I N 0.733 121.303 120.570 0.001 0.000 2.499 455 I HA 0.500 4.670 4.170 -0.000 0.000 0.288 455 I C -1.807 174.359 176.117 0.081 0.000 1.048 455 I CA -0.224 61.076 61.300 -0.001 0.000 1.062 455 I CB 1.095 39.015 38.000 -0.133 0.000 1.238 455 I HN 0.471 nan 8.210 nan 0.000 0.426 456 K N 5.873 126.244 120.400 -0.048 0.000 2.435 456 K HA 0.821 5.140 4.320 -0.000 0.000 0.251 456 K C -1.272 175.115 176.600 -0.356 0.000 0.954 456 K CA -1.006 55.168 56.287 -0.188 0.000 0.820 456 K CB 2.230 34.676 32.500 -0.090 0.000 1.292 456 K HN 0.552 nan 8.250 nan 0.000 0.436 457 A N 1.912 124.319 122.820 -0.688 0.000 2.271 457 A HA 0.483 4.803 4.320 -0.000 0.000 0.317 457 A C -1.691 175.777 177.584 -0.194 0.000 1.245 457 A CA -0.374 51.271 52.037 -0.653 0.000 0.857 457 A CB 0.220 18.538 19.000 -1.136 0.000 1.175 457 A HN 0.686 nan 8.150 nan 0.000 0.512 458 Y N 3.130 123.259 120.300 -0.285 0.000 2.462 458 Y HA 0.490 5.040 4.550 -0.000 0.000 0.346 458 Y C -0.563 175.241 175.900 -0.160 0.000 0.976 458 Y CA -1.223 56.699 58.100 -0.295 0.000 1.044 458 Y CB 1.655 39.954 38.460 -0.269 0.000 1.230 458 Y HN 0.659 nan 8.280 nan 0.000 0.455 459 N N 3.921 122.119 118.700 -0.837 0.000 2.424 459 N HA 0.338 5.078 4.740 -0.000 0.000 0.271 459 N C 0.077 174.914 175.510 -1.121 0.000 0.985 459 N CA 0.495 53.151 53.050 -0.657 0.000 0.921 459 N CB 2.072 40.320 38.487 -0.397 0.000 1.149 459 N HN 0.956 nan 8.380 nan 0.000 0.492 460 A N 4.581 127.016 122.820 -0.642 0.000 2.015 460 A HA -0.060 4.260 4.320 -0.000 0.000 0.219 460 A C 1.813 179.219 177.584 -0.298 0.000 1.163 460 A CA 0.897 52.639 52.037 -0.491 0.000 0.646 460 A CB -0.136 18.802 19.000 -0.103 0.000 0.806 460 A HN 0.695 nan 8.150 nan 0.000 0.448 461 I N -0.525 119.905 120.570 -0.233 0.000 2.339 461 I HA -0.076 4.094 4.170 -0.000 0.000 0.245 461 I C 2.230 178.247 176.117 -0.167 0.000 1.096 461 I CA 1.672 62.876 61.300 -0.159 0.000 1.408 461 I CB -1.855 36.077 38.000 -0.115 0.000 1.092 461 I HN 0.186 nan 8.210 nan 0.000 0.423 462 T N 0.326 114.756 114.554 -0.207 0.000 3.014 462 T HA 0.133 4.482 4.350 -0.000 0.000 0.263 462 T C 1.563 176.149 174.700 -0.190 0.000 1.078 462 T CA 1.056 63.053 62.100 -0.172 0.000 1.135 462 T CB -0.168 68.605 68.868 -0.159 0.000 0.895 462 T HN 0.569 nan 8.240 nan 0.000 0.480 463 G N 2.146 110.750 108.800 -0.326 0.000 2.148 463 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.254 463 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.254 463 G C -0.151 174.617 174.900 -0.219 0.000 0.981 463 G CA 0.298 45.260 45.100 -0.230 0.000 0.670 463 G HN 0.609 nan 8.290 nan 0.000 0.528 464 D N -0.586 119.633 120.400 -0.301 0.000 2.210 464 D HA 0.539 5.179 4.640 -0.000 0.000 0.249 464 D C -0.135 176.009 176.300 -0.260 0.000 1.062 464 D CA -0.539 53.354 54.000 -0.178 0.000 0.891 464 D CB 0.320 41.059 40.800 -0.102 0.000 1.186 464 D HN 0.190 nan 8.370 nan 0.000 0.432 465 Y N 2.795 123.128 120.300 0.055 0.000 2.385 465 Y HA 0.200 4.750 4.550 -0.000 0.000 0.341 465 Y C 1.294 177.192 175.900 -0.002 0.000 0.965 465 Y CA -0.644 57.476 58.100 0.034 0.000 1.180 465 Y CB 1.679 40.163 38.460 0.040 0.000 1.139 465 Y HN 0.417 nan 8.280 nan 0.000 0.502 466 K N 4.294 124.720 120.400 0.043 0.000 2.103 466 K HA -0.083 4.237 4.320 -0.000 0.000 0.207 466 K C -0.516 176.245 176.600 0.268 0.000 1.048 466 K CA 1.345 57.685 56.287 0.089 0.000 0.930 466 K CB 0.215 32.737 32.500 0.036 0.000 0.716 466 K HN 0.708 nan 8.250 nan 0.000 0.444 467 W N -1.296 120.106 121.300 0.172 0.000 3.275 467 W HA 0.451 5.111 4.660 -0.000 0.000 0.306 467 W C -1.693 174.897 176.519 0.118 0.000 1.259 467 W CA -0.735 56.684 57.345 0.124 0.000 1.194 467 W CB 0.545 30.067 29.460 0.104 0.000 1.375 467 W HN -0.208 nan 8.180 nan 0.000 0.564 468 E N 2.032 122.482 120.200 0.417 0.000 2.292 468 E HA 0.488 4.838 4.350 -0.000 0.000 0.272 468 E C -0.869 175.872 176.600 0.235 0.000 0.881 468 E CA -1.038 55.498 56.400 0.226 0.000 0.754 468 E CB 2.933 32.635 29.700 0.004 0.000 1.201 468 E HN 0.115 nan 8.360 nan 0.000 0.425 469 K N 2.316 122.836 120.400 0.200 0.000 2.468 469 K HA 0.449 4.768 4.320 -0.000 0.000 0.252 469 K C -0.644 175.977 176.600 0.034 0.000 0.932 469 K CA -0.863 55.491 56.287 0.112 0.000 0.794 469 K CB 1.946 34.532 32.500 0.143 0.000 1.241 469 K HN 0.457 nan 8.250 nan 0.000 0.428 470 M N 1.459 121.048 119.600 -0.019 0.000 2.241 470 M HA 0.281 4.761 4.480 -0.000 0.000 0.335 470 M C 0.219 176.511 176.300 -0.013 0.000 1.122 470 M CA 0.201 55.468 55.300 -0.056 0.000 1.164 470 M CB 0.485 33.029 32.600 -0.093 0.000 1.459 470 M HN 0.373 nan 8.290 nan 0.000 0.461 471 E N 0.512 120.706 120.200 -0.010 0.000 2.340 471 E HA 0.291 4.641 4.350 -0.000 0.000 0.273 471 E C 0.278 176.849 176.600 -0.048 0.000 0.891 471 E CA -0.420 55.997 56.400 0.029 0.000 0.757 471 E CB 2.424 32.209 29.700 0.141 0.000 1.231 471 E HN 0.594 nan 8.360 nan 0.000 0.439 472 R N 1.676 122.100 120.500 -0.127 0.000 2.096 472 R HA -0.064 4.276 4.340 -0.000 0.000 0.240 472 R C 0.057 176.046 176.300 -0.518 0.000 1.139 472 R CA 1.564 57.427 56.100 -0.396 0.000 0.952 472 R CB 0.151 30.103 30.300 -0.579 0.000 0.854 472 R HN 0.302 nan 8.270 nan 0.000 0.436 473 F N -0.917 119.086 119.950 0.087 0.000 2.618 473 F HA 0.520 5.047 4.527 -0.000 0.000 0.332 473 F C 0.162 176.112 175.800 0.250 0.000 1.061 473 F CA -1.239 56.876 58.000 0.191 0.000 0.974 473 F CB 1.138 40.288 39.000 0.249 0.000 1.310 473 F HN -0.008 nan 8.300 nan 0.000 0.491 474 A N 0.681 123.868 122.820 0.611 0.000 2.567 474 A HA 0.309 4.629 4.320 -0.000 0.000 0.240 474 A C -0.318 177.557 177.584 0.485 0.000 1.053 474 A CA -0.304 52.046 52.037 0.520 0.000 0.755 474 A CB -0.291 19.137 19.000 0.714 0.000 0.978 474 A HN 0.520 nan 8.150 nan 0.000 0.507 475 V N 5.660 125.791 119.914 0.362 0.000 2.229 475 V HA 0.009 4.129 4.120 -0.000 0.000 0.245 475 V C 0.621 176.933 176.094 0.363 0.000 1.243 475 V CA -0.358 62.153 62.300 0.351 0.000 1.176 475 V CB -1.107 30.846 31.823 0.215 0.000 1.323 475 V HN 0.866 nan 8.190 nan 0.000 0.499 476 W N 3.076 124.504 121.300 0.214 0.000 1.779 476 W HA 0.457 5.117 4.660 -0.000 0.000 0.409 476 W C 1.425 178.114 176.519 0.283 0.000 1.812 476 W CA 0.891 58.370 57.345 0.222 0.000 1.994 476 W CB 1.247 30.832 29.460 0.208 0.000 1.415 476 W HN 0.648 nan 8.180 nan 0.000 0.745 477 G N 0.620 109.732 108.800 0.519 0.000 2.708 477 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.229 477 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.229 477 G C 0.560 175.747 174.900 0.478 0.000 1.236 477 G CA 0.828 46.234 45.100 0.510 0.000 0.749 477 G HN 1.818 nan 8.290 nan 0.000 0.515 478 G N -2.356 106.672 108.800 0.380 0.000 2.447 478 G HA2 0.449 4.409 3.960 -0.000 0.000 0.220 478 G HA3 0.449 4.409 3.960 -0.000 0.000 0.220 478 G C -0.409 174.724 174.900 0.390 0.000 1.261 478 G CA 0.390 45.700 45.100 0.350 0.000 1.000 478 G HN 1.723 nan 8.290 nan 0.000 0.515 479 T N 0.161 114.945 114.554 0.383 0.000 2.843 479 T HA 0.740 5.090 4.350 -0.000 0.000 0.302 479 T C -0.594 174.363 174.700 0.428 0.000 1.232 479 T CA -0.127 62.222 62.100 0.414 0.000 1.009 479 T CB 1.774 70.861 68.868 0.366 0.000 1.254 479 T HN 1.055 nan 8.240 nan 0.000 0.504 480 M N 1.857 121.725 119.600 0.446 0.000 2.322 480 M HA 0.716 5.196 4.480 -0.000 0.000 0.286 480 M C -2.002 174.545 176.300 0.412 0.000 1.111 480 M CA -0.644 54.919 55.300 0.438 0.000 0.941 480 M CB 1.648 34.492 32.600 0.406 0.000 1.671 480 M HN 0.812 nan 8.290 nan 0.000 0.470 481 A N 2.919 125.974 122.820 0.393 0.000 2.356 481 A HA 0.955 5.275 4.320 -0.000 0.000 0.323 481 A C -0.837 176.774 177.584 0.045 0.000 1.119 481 A CA -0.461 51.769 52.037 0.323 0.000 0.790 481 A CB 1.876 21.217 19.000 0.568 0.000 1.273 481 A HN 0.764 nan 8.150 nan 0.000 0.452 482 T N 0.343 114.870 114.554 -0.044 0.000 2.906 482 T HA 0.536 4.886 4.350 -0.000 0.000 0.295 482 T C 0.933 175.521 174.700 -0.187 0.000 1.075 482 T CA 0.280 62.187 62.100 -0.321 0.000 1.005 482 T CB 1.777 70.638 68.868 -0.011 0.000 1.136 482 T HN 1.153 nan 8.240 nan 0.000 0.498 483 A N 0.709 123.380 122.820 -0.248 0.000 2.255 483 A HA 0.293 4.613 4.320 -0.000 0.000 0.206 483 A C 1.781 179.399 177.584 0.056 0.000 1.193 483 A CA 0.907 52.995 52.037 0.085 0.000 0.794 483 A CB -0.640 18.415 19.000 0.092 0.000 0.794 483 A HN 0.874 nan 8.150 nan 0.000 0.481 484 G N -0.944 107.865 108.800 0.014 0.000 3.284 484 G HA2 0.312 4.271 3.960 -0.000 0.000 0.236 484 G HA3 0.312 4.271 3.960 -0.000 0.000 0.236 484 G C -0.023 174.880 174.900 0.004 0.000 1.158 484 G CA 0.438 45.543 45.100 0.007 0.000 0.774 484 G HN 0.422 nan 8.290 nan 0.000 0.545 485 D N -1.009 119.413 120.400 0.037 0.000 2.907 485 D HA -0.125 4.515 4.640 -0.000 0.000 0.226 485 D C -0.327 175.943 176.300 -0.050 0.000 1.141 485 D CA 0.634 54.650 54.000 0.027 0.000 0.779 485 D CB -0.977 39.834 40.800 0.018 0.000 1.095 485 D HN 0.180 nan 8.370 nan 0.000 0.430 486 L N 0.220 121.394 121.223 -0.081 0.000 2.381 486 L HA 0.564 4.903 4.340 -0.000 0.000 0.268 486 L C -0.061 176.671 176.870 -0.231 0.000 0.997 486 L CA -1.107 53.590 54.840 -0.238 0.000 0.818 486 L CB 2.320 44.164 42.059 -0.358 0.000 1.310 486 L HN -0.151 nan 8.230 nan 0.000 0.416 487 V N 3.470 123.189 119.914 -0.324 0.000 2.407 487 V HA 0.478 4.598 4.120 -0.000 0.000 0.291 487 V C -0.625 175.427 176.094 -0.069 0.000 1.018 487 V CA -0.571 61.621 62.300 -0.181 0.000 0.842 487 V CB 1.347 33.011 31.823 -0.265 0.000 0.996 487 V HN 0.417 nan 8.190 nan 0.000 0.426 488 F N 5.295 125.358 119.950 0.189 0.000 2.422 488 F HA 0.812 5.339 4.527 -0.000 0.000 0.333 488 F C -0.091 175.958 175.800 0.415 0.000 1.095 488 F CA -0.497 57.646 58.000 0.238 0.000 1.038 488 F CB 1.639 40.710 39.000 0.118 0.000 1.156 488 F HN 0.608 nan 8.300 nan 0.000 0.483 489 Y N -0.495 120.021 120.300 0.359 0.000 2.604 489 Y HA 0.747 5.297 4.550 -0.000 0.000 0.331 489 Y C -0.721 175.357 175.900 0.297 0.000 1.158 489 Y CA -1.804 56.485 58.100 0.315 0.000 1.056 489 Y CB 0.885 39.515 38.460 0.283 0.000 1.330 489 Y HN 0.748 nan 8.280 nan 0.000 0.457 490 G N 0.616 109.614 108.800 0.330 0.000 2.434 490 G HA2 0.590 4.550 3.960 -0.000 0.000 0.330 490 G HA3 0.590 4.550 3.960 -0.000 0.000 0.330 490 G C -0.911 174.175 174.900 0.311 0.000 1.155 490 G CA -0.498 44.747 45.100 0.242 0.000 0.917 490 G HN 1.009 nan 8.290 nan 0.000 0.493 491 T N -0.878 113.833 114.554 0.262 0.000 2.924 491 T HA 0.424 4.774 4.350 -0.000 0.000 0.291 491 T C 1.314 176.172 174.700 0.264 0.000 1.045 491 T CA -0.864 61.427 62.100 0.319 0.000 1.015 491 T CB 1.620 70.683 68.868 0.326 0.000 1.103 491 T HN 0.185 nan 8.240 nan 0.000 0.496 492 L N 0.650 122.030 121.223 0.262 0.000 2.201 492 L HA 0.007 4.346 4.340 -0.000 0.000 0.212 492 L C 1.693 178.594 176.870 0.051 0.000 1.105 492 L CA 1.244 56.145 54.840 0.101 0.000 0.775 492 L CB -0.475 41.573 42.059 -0.019 0.000 0.913 492 L HN 0.793 nan 8.230 nan 0.000 0.440 493 D N -0.478 120.049 120.400 0.212 0.000 2.319 493 D HA 0.071 4.711 4.640 -0.000 0.000 0.230 493 D C 1.210 177.503 176.300 -0.012 0.000 1.094 493 D CA 0.594 54.709 54.000 0.191 0.000 0.856 493 D CB 0.002 41.006 40.800 0.341 0.000 0.915 493 D HN 0.203 nan 8.370 nan 0.000 0.517 494 G N -0.417 108.359 108.800 -0.039 0.000 2.203 494 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.231 494 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.231 494 G C -0.631 174.033 174.900 -0.393 0.000 1.058 494 G CA -0.270 44.705 45.100 -0.209 0.000 0.781 494 G HN 0.382 nan 8.290 nan 0.000 0.496 495 Y N -1.920 118.405 120.300 0.041 0.000 2.576 495 Y HA 0.736 5.286 4.550 -0.000 0.000 0.346 495 Y C 0.014 175.912 175.900 -0.003 0.000 1.018 495 Y CA -1.443 56.647 58.100 -0.018 0.000 1.050 495 Y CB 1.939 40.334 38.460 -0.108 0.000 1.280 495 Y HN 0.270 nan 8.280 nan 0.000 0.474 496 L N 2.762 124.083 121.223 0.163 0.000 2.305 496 L HA 0.573 4.912 4.340 -0.000 0.000 0.284 496 L C -1.263 175.594 176.870 -0.023 0.000 1.013 496 L CA -0.706 54.195 54.840 0.102 0.000 0.819 496 L CB 0.716 42.854 42.059 0.131 0.000 1.227 496 L HN 0.557 nan 8.230 nan 0.000 0.417 497 K N 4.056 124.362 120.400 -0.155 0.000 2.281 497 K HA 0.922 5.242 4.320 -0.000 0.000 0.242 497 K C -1.185 175.396 176.600 -0.032 0.000 0.971 497 K CA -0.945 55.216 56.287 -0.210 0.000 0.834 497 K CB 2.116 34.298 32.500 -0.530 0.000 1.181 497 K HN 0.672 nan 8.250 nan 0.000 0.435 498 A N 2.424 125.262 122.820 0.029 0.000 2.353 498 A HA 0.513 4.833 4.320 -0.000 0.000 0.299 498 A C -0.858 176.636 177.584 -0.150 0.000 1.089 498 A CA -0.848 51.036 52.037 -0.255 0.000 0.736 498 A CB 0.824 19.556 19.000 -0.447 0.000 1.195 498 A HN 0.707 nan 8.150 nan 0.000 0.447 499 R N 1.492 121.900 120.500 -0.152 0.000 2.778 499 R HA 0.393 4.733 4.340 -0.000 0.000 0.277 499 R C -1.127 175.025 176.300 -0.246 0.000 0.977 499 R CA -0.973 55.025 56.100 -0.169 0.000 0.950 499 R CB 1.649 31.872 30.300 -0.129 0.000 1.165 499 R HN 0.755 nan 8.270 nan 0.000 0.474 500 D N 0.784 121.015 120.400 -0.283 0.000 2.358 500 D HA 0.008 4.648 4.640 -0.000 0.000 0.258 500 D C 0.307 176.491 176.300 -0.193 0.000 1.223 500 D CA 0.377 54.242 54.000 -0.226 0.000 0.886 500 D CB 1.128 41.798 40.800 -0.218 0.000 1.120 500 D HN 0.405 nan 8.370 nan 0.000 0.482 501 S N 3.114 118.786 115.700 -0.047 0.000 2.400 501 S HA -0.160 4.310 4.470 -0.000 0.000 0.232 501 S C 1.118 176.031 174.600 0.521 0.000 1.025 501 S CA 0.876 59.179 58.200 0.171 0.000 0.993 501 S CB 0.150 63.425 63.200 0.124 0.000 0.808 501 S HN 0.591 nan 8.310 nan 0.000 0.478 502 D N 0.455 121.006 120.400 0.253 0.000 2.240 502 D HA 0.009 4.649 4.640 -0.000 0.000 0.206 502 D C 2.134 178.554 176.300 0.201 0.000 0.963 502 D CA 1.607 55.769 54.000 0.271 0.000 0.863 502 D CB -0.143 40.736 40.800 0.131 0.000 0.973 502 D HN 0.615 nan 8.370 nan 0.000 0.501 503 T N -4.221 110.236 114.554 -0.162 0.000 2.955 503 T HA 0.365 4.715 4.350 -0.000 0.000 0.251 503 T C 1.668 175.764 174.700 -1.006 0.000 1.002 503 T CA 0.768 62.651 62.100 -0.362 0.000 0.970 503 T CB 1.150 69.890 68.868 -0.214 0.000 1.091 503 T HN 0.139 nan 8.240 nan 0.000 0.495 504 G N 1.640 109.488 108.800 -1.587 0.000 2.176 504 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.253 504 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.253 504 G C -0.358 174.070 174.900 -0.786 0.000 0.979 504 G CA 0.006 43.930 45.100 -1.960 0.000 0.641 504 G HN 0.585 nan 8.290 nan 0.000 0.530 505 D N 0.228 120.326 120.400 -0.503 0.000 2.455 505 D HA 0.311 4.951 4.640 -0.000 0.000 0.241 505 D C 0.741 176.908 176.300 -0.222 0.000 1.138 505 D CA -0.176 53.657 54.000 -0.278 0.000 0.877 505 D CB 1.209 41.891 40.800 -0.198 0.000 1.187 505 D HN 0.234 nan 8.370 nan 0.000 0.451 506 L N 3.688 124.821 121.223 -0.151 0.000 2.433 506 L HA 0.066 4.405 4.340 -0.000 0.000 0.275 506 L C 0.581 177.403 176.870 -0.080 0.000 1.128 506 L CA 0.398 55.175 54.840 -0.104 0.000 0.875 506 L CB 0.274 42.276 42.059 -0.095 0.000 1.171 506 L HN 0.429 nan 8.230 nan 0.000 0.463 507 L N 4.466 125.659 121.223 -0.050 0.000 2.515 507 L HA 0.282 4.622 4.340 -0.000 0.000 0.223 507 L C -0.367 176.583 176.870 0.134 0.000 1.079 507 L CA -0.257 54.584 54.840 0.002 0.000 0.857 507 L CB 0.119 42.157 42.059 -0.035 0.000 1.050 507 L HN 0.695 nan 8.230 nan 0.000 0.476 508 W N 1.424 122.649 121.300 -0.125 0.000 3.298 508 W HA 0.396 5.056 4.660 -0.000 0.000 0.302 508 W C -1.831 174.631 176.519 -0.096 0.000 1.255 508 W CA -1.075 56.219 57.345 -0.085 0.000 1.196 508 W CB 0.971 30.393 29.460 -0.065 0.000 1.364 508 W HN -0.147 nan 8.180 nan 0.000 0.566 509 K N 3.567 123.442 120.400 -0.875 0.000 2.556 509 K HA 0.783 5.103 4.320 -0.000 0.000 0.274 509 K C -2.425 173.482 176.600 -1.156 0.000 0.966 509 K CA -0.868 54.851 56.287 -0.946 0.000 0.865 509 K CB 2.726 34.891 32.500 -0.559 0.000 1.444 509 K HN 0.466 nan 8.250 nan 0.000 0.433 510 F N 1.448 120.889 119.950 -0.848 0.000 2.557 510 F HA 0.368 4.895 4.527 -0.000 0.000 0.316 510 F C -0.925 174.885 175.800 0.016 0.000 1.141 510 F CA -0.758 57.017 58.000 -0.376 0.000 0.922 510 F CB 2.234 41.120 39.000 -0.190 0.000 1.194 510 F HN 0.635 nan 8.300 nan 0.000 0.443 511 K N 7.841 127.856 120.400 -0.643 0.000 2.237 511 K HA 0.274 4.594 4.320 -0.000 0.000 0.283 511 K C -0.484 175.935 176.600 -0.301 0.000 1.080 511 K CA -0.080 55.907 56.287 -0.501 0.000 0.965 511 K CB -0.754 31.458 32.500 -0.480 0.000 1.098 511 K HN 0.591 nan 8.250 nan 0.000 0.434 512 I N 1.623 122.174 120.570 -0.030 0.000 3.021 512 I HA 0.377 4.547 4.170 -0.000 0.000 0.303 512 I C -1.545 174.467 176.117 -0.175 0.000 1.044 512 I CA -2.410 58.931 61.300 0.069 0.000 1.266 512 I CB 0.700 38.819 38.000 0.198 0.000 1.447 512 I HN 0.306 nan 8.210 nan 0.000 0.593 513 P HA -0.109 nan 4.420 nan 0.000 0.214 513 P C -0.198 176.981 177.300 -0.203 0.000 1.163 513 P CA 1.496 64.357 63.100 -0.398 0.000 0.889 513 P CB 0.045 31.257 31.700 -0.813 0.000 0.790 514 S N -2.655 112.994 115.700 -0.086 0.000 2.732 514 S HA 0.650 5.120 4.470 -0.000 0.000 0.293 514 S C 0.170 174.802 174.600 0.055 0.000 1.159 514 S CA -0.730 57.476 58.200 0.010 0.000 0.847 514 S CB 0.813 64.059 63.200 0.076 0.000 1.169 514 S HN 0.171 nan 8.310 nan 0.000 0.501 515 G N -0.136 108.690 108.800 0.044 0.000 2.554 515 G HA2 0.487 4.447 3.960 -0.000 0.000 0.238 515 G HA3 0.487 4.447 3.960 -0.000 0.000 0.238 515 G C -0.216 174.774 174.900 0.150 0.000 1.259 515 G CA -0.157 44.987 45.100 0.074 0.000 0.843 515 G HN 1.032 nan 8.290 nan 0.000 0.582 516 A N 0.956 123.895 122.820 0.199 0.000 2.292 516 A HA 0.609 4.929 4.320 -0.000 0.000 0.319 516 A C 0.726 178.495 177.584 0.307 0.000 1.206 516 A CA -0.720 51.476 52.037 0.265 0.000 0.835 516 A CB 0.622 19.792 19.000 0.282 0.000 1.164 516 A HN 1.166 nan 8.150 nan 0.000 0.505 517 I N 0.275 121.055 120.570 0.349 0.000 4.102 517 I HA 0.470 4.640 4.170 -0.000 0.000 0.325 517 I C 0.571 177.003 176.117 0.525 0.000 1.471 517 I CA -0.231 61.346 61.300 0.462 0.000 1.133 517 I CB 0.376 38.629 38.000 0.422 0.000 1.184 517 I HN 0.508 nan 8.210 nan 0.000 0.451 518 G N 1.027 110.099 108.800 0.453 0.000 2.932 518 G HA2 0.585 4.545 3.960 -0.000 0.000 0.283 518 G HA3 0.585 4.545 3.960 -0.000 0.000 0.283 518 G C -1.438 173.686 174.900 0.373 0.000 1.336 518 G CA -0.691 44.668 45.100 0.432 0.000 1.056 518 G HN 0.328 nan 8.290 nan 0.000 0.522 519 Y N -1.621 118.834 120.300 0.259 0.000 2.487 519 Y HA 0.764 5.314 4.550 -0.000 0.000 0.337 519 Y C -2.635 173.300 175.900 0.058 0.000 1.076 519 Y CA -3.438 54.778 58.100 0.195 0.000 1.115 519 Y CB 0.993 39.566 38.460 0.189 0.000 1.235 519 Y HN 0.286 nan 8.280 nan 0.000 0.468 520 P HA 0.325 nan 4.420 nan 0.000 0.274 520 P C -0.991 176.209 177.300 -0.167 0.000 1.231 520 P CA -0.328 62.759 63.100 -0.021 0.000 0.790 520 P CB 0.996 32.746 31.700 0.085 0.000 0.951 521 M N -1.001 118.330 119.600 -0.449 0.000 2.631 521 M HA 0.821 5.301 4.480 -0.000 0.000 0.288 521 M C -0.553 175.488 176.300 -0.431 0.000 1.260 521 M CA -0.402 54.362 55.300 -0.893 0.000 0.842 521 M CB 1.901 33.508 32.600 -1.655 0.000 1.743 521 M HN 0.132 nan 8.290 nan 0.000 0.461 522 T N 0.149 114.596 114.554 -0.178 0.000 2.864 522 T HA 0.889 5.239 4.350 -0.000 0.000 0.299 522 T C -2.107 172.805 174.700 0.354 0.000 1.166 522 T CA -0.436 61.684 62.100 0.034 0.000 1.007 522 T CB 1.320 70.146 68.868 -0.070 0.000 1.219 522 T HN 1.084 nan 8.240 nan 0.000 0.506 523 Y N -1.679 118.683 120.300 0.104 0.000 2.814 523 Y HA 0.679 5.229 4.550 -0.000 0.000 0.348 523 Y C -1.086 174.912 175.900 0.163 0.000 1.245 523 Y CA -1.134 57.062 58.100 0.160 0.000 1.086 523 Y CB 0.829 39.393 38.460 0.174 0.000 1.373 523 Y HN 0.521 nan 8.280 nan 0.000 0.451 524 T N 0.850 115.559 114.554 0.259 0.000 2.887 524 T HA 0.296 4.645 4.350 -0.000 0.000 0.288 524 T C -0.421 174.520 174.700 0.401 0.000 1.021 524 T CA -0.347 61.848 62.100 0.160 0.000 1.000 524 T CB 1.372 70.290 68.868 0.082 0.000 1.034 524 T HN 0.920 nan 8.240 nan 0.000 0.467 525 H N 1.750 120.990 119.070 0.282 0.000 2.247 525 H HA 0.393 4.949 4.556 -0.000 0.000 0.267 525 H C 0.156 175.583 175.328 0.166 0.000 0.952 525 H CA 0.135 56.367 56.048 0.306 0.000 1.250 525 H CB 0.691 30.701 29.762 0.413 0.000 1.441 525 H HN 0.316 nan 8.280 nan 0.000 0.553 526 K N 0.161 120.507 120.400 -0.090 0.000 3.271 526 K HA 0.225 4.545 4.320 -0.000 0.000 0.192 526 K C -0.189 176.373 176.600 -0.064 0.000 1.108 526 K CA 0.320 56.498 56.287 -0.182 0.000 0.902 526 K CB 1.535 33.884 32.500 -0.252 0.000 0.889 526 K HN 0.635 nan 8.250 nan 0.000 0.520 527 G N 0.826 109.603 108.800 -0.038 0.000 2.213 527 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.236 527 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.236 527 G C 0.233 175.086 174.900 -0.078 0.000 0.991 527 G CA 0.394 45.467 45.100 -0.045 0.000 0.629 527 G HN 0.446 nan 8.290 nan 0.000 0.517 528 T N -1.709 112.783 114.554 -0.103 0.000 2.823 528 T HA 0.666 5.016 4.350 -0.000 0.000 0.279 528 T C -0.229 174.212 174.700 -0.432 0.000 0.998 528 T CA 0.003 61.938 62.100 -0.275 0.000 0.994 528 T CB 2.256 70.907 68.868 -0.362 0.000 0.960 528 T HN 0.467 nan 8.240 nan 0.000 0.448 529 Q N 2.469 122.000 119.800 -0.449 0.000 2.279 529 Q HA 0.361 4.701 4.340 -0.000 0.000 0.256 529 Q C -1.621 173.972 176.000 -0.678 0.000 0.937 529 Q CA -0.592 54.949 55.803 -0.437 0.000 0.933 529 Q CB 0.493 29.070 28.738 -0.268 0.000 1.189 529 Q HN 0.791 nan 8.270 nan 0.000 0.417 530 Y N 1.594 121.579 120.300 -0.524 0.000 2.446 530 Y HA 0.506 5.056 4.550 -0.000 0.000 0.345 530 Y C -0.451 175.134 175.900 -0.524 0.000 0.984 530 Y CA -0.963 56.805 58.100 -0.553 0.000 1.058 530 Y CB 2.036 40.027 38.460 -0.782 0.000 1.220 530 Y HN 0.295 nan 8.280 nan 0.000 0.455 531 V N 2.750 122.545 119.914 -0.198 0.000 2.495 531 V HA 0.845 4.965 4.120 -0.000 0.000 0.298 531 V C -0.396 175.646 176.094 -0.088 0.000 1.031 531 V CA -0.694 61.445 62.300 -0.269 0.000 0.871 531 V CB 1.286 32.782 31.823 -0.544 0.000 0.988 531 V HN 0.872 nan 8.190 nan 0.000 0.432 532 A N 5.536 128.285 122.820 -0.119 0.000 2.401 532 A HA 0.971 5.291 4.320 -0.000 0.000 0.310 532 A C -1.048 176.447 177.584 -0.149 0.000 1.075 532 A CA -0.627 51.344 52.037 -0.110 0.000 0.746 532 A CB 1.581 20.486 19.000 -0.160 0.000 1.277 532 A HN 0.862 nan 8.150 nan 0.000 0.425 533 I N 0.369 120.903 120.570 -0.059 0.000 2.841 533 I HA 0.422 4.592 4.170 -0.000 0.000 0.298 533 I C -1.527 174.636 176.117 0.076 0.000 1.304 533 I CA -0.711 60.566 61.300 -0.040 0.000 1.019 533 I CB 1.749 39.816 38.000 0.111 0.000 1.282 533 I HN 0.798 nan 8.210 nan 0.000 0.432 534 Y N 5.124 125.444 120.300 0.033 0.000 2.301 534 Y HA 0.323 4.872 4.550 -0.000 0.000 0.328 534 Y C -0.619 175.339 175.900 0.097 0.000 1.242 534 Y CA -0.577 57.519 58.100 -0.007 0.000 1.323 534 Y CB 1.131 39.594 38.460 0.006 0.000 1.266 534 Y HN 0.461 nan 8.280 nan 0.000 0.527 535 Y N -1.413 118.989 120.300 0.170 0.000 2.536 535 Y HA 0.842 5.392 4.550 -0.000 0.000 0.347 535 Y C -0.210 175.667 175.900 -0.038 0.000 1.000 535 Y CA -2.060 56.086 58.100 0.076 0.000 1.051 535 Y CB 1.920 40.404 38.460 0.038 0.000 1.259 535 Y HN 0.684 nan 8.280 nan 0.000 0.468 536 G N 1.310 110.204 108.800 0.157 0.000 2.372 536 G HA2 0.130 4.090 3.960 -0.000 0.000 0.207 536 G HA3 0.130 4.090 3.960 -0.000 0.000 0.207 536 G C -1.645 173.321 174.900 0.110 0.000 1.473 536 G CA -0.650 44.473 45.100 0.037 0.000 1.183 536 G HN 0.869 nan 8.290 nan 0.000 0.607 537 V N 1.710 121.667 119.914 0.071 0.000 2.963 537 V HA 0.824 4.944 4.120 -0.000 0.000 0.306 537 V C 1.194 177.288 176.094 0.001 0.000 1.077 537 V CA 2.323 64.639 62.300 0.027 0.000 1.124 537 V CB 1.383 33.188 31.823 -0.030 0.000 0.987 537 V HN 2.238 nan 8.190 nan 0.000 0.487 538 G N 2.794 111.573 108.800 -0.035 0.000 2.513 538 G HA2 0.582 4.542 3.960 -0.000 0.000 0.182 538 G HA3 0.582 4.542 3.960 -0.000 0.000 0.182 538 G C 0.244 175.120 174.900 -0.040 0.000 1.190 538 G CA 0.267 45.345 45.100 -0.036 0.000 0.987 538 G HN 2.061 nan 8.290 nan 0.000 0.479 539 G N -1.488 107.355 108.800 0.072 0.000 2.598 539 G HA2 -0.111 3.848 3.960 -0.000 0.000 0.244 539 G HA3 -0.111 3.848 3.960 -0.000 0.000 0.244 539 G C 0.899 175.883 174.900 0.139 0.000 1.302 539 G CA 0.938 46.131 45.100 0.156 0.000 0.903 539 G HN 1.719 nan 8.290 nan 0.000 0.575 540 W N 2.554 123.839 121.300 -0.025 0.000 2.355 540 W HA 0.010 4.669 4.660 -0.000 0.000 0.309 540 W C 0.523 176.843 176.519 -0.332 0.000 1.206 540 W CA 3.176 60.485 57.345 -0.060 0.000 1.284 540 W CB -1.563 28.000 29.460 0.172 0.000 1.145 540 W HN 0.518 nan 8.180 nan 0.000 0.502 541 P HA -0.057 nan 4.420 nan 0.000 0.220 541 P C 1.320 178.191 177.300 -0.714 0.000 1.148 541 P CA 2.317 64.677 63.100 -1.233 0.000 0.803 541 P CB -0.450 30.058 31.700 -1.987 0.000 0.782 542 G N -0.279 108.278 108.800 -0.404 0.000 3.337 542 G HA2 0.051 4.011 3.960 -0.000 0.000 0.246 542 G HA3 0.051 4.011 3.960 -0.000 0.000 0.246 542 G C 1.280 176.141 174.900 -0.066 0.000 1.131 542 G CA -0.121 44.847 45.100 -0.221 0.000 0.773 542 G HN 0.166 nan 8.290 nan 0.000 0.544 543 V N 1.046 120.990 119.914 0.050 0.000 2.490 543 V HA -0.032 4.088 4.120 -0.000 0.000 0.250 543 V C 2.679 178.907 176.094 0.224 0.000 1.061 543 V CA 2.598 65.040 62.300 0.238 0.000 1.064 543 V CB -0.269 31.762 31.823 0.347 0.000 0.670 543 V HN 0.343 nan 8.190 nan 0.000 0.461 544 G N -0.413 108.464 108.800 0.128 0.000 2.404 544 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.215 544 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.215 544 G C 1.482 176.416 174.900 0.058 0.000 1.174 544 G CA 1.046 46.213 45.100 0.110 0.000 0.780 544 G HN 0.485 nan 8.290 nan 0.000 0.537 545 L N 0.869 122.094 121.223 0.005 0.000 2.027 545 L HA 0.060 4.400 4.340 -0.000 0.000 0.206 545 L C 2.877 179.689 176.870 -0.096 0.000 1.074 545 L CA 1.408 56.226 54.840 -0.037 0.000 0.745 545 L CB -0.629 41.396 42.059 -0.057 0.000 0.898 545 L HN 0.072 nan 8.230 nan 0.000 0.433 546 V N -0.708 119.101 119.914 -0.174 0.000 2.343 546 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 546 V C 1.846 177.582 176.094 -0.595 0.000 1.051 546 V CA 2.050 64.096 62.300 -0.423 0.000 1.036 546 V CB -0.632 30.835 31.823 -0.594 0.000 0.654 546 V HN 0.401 nan 8.190 nan 0.000 0.451 547 F N -0.932 119.022 119.950 0.007 0.000 2.639 547 F HA 0.329 4.856 4.527 -0.000 0.000 0.302 547 F C 0.831 176.632 175.800 0.001 0.000 1.097 547 F CA -0.089 57.913 58.000 0.004 0.000 1.294 547 F CB 0.129 39.128 39.000 -0.002 0.000 1.027 547 F HN 0.068 nan 8.300 nan 0.000 0.550 548 D N 2.119 122.568 120.400 0.082 0.000 2.697 548 D HA -0.203 4.437 4.640 -0.000 0.000 0.238 548 D C -0.546 175.800 176.300 0.076 0.000 1.152 548 D CA 0.545 54.580 54.000 0.057 0.000 0.666 548 D CB -0.911 39.913 40.800 0.039 0.000 1.037 548 D HN 0.219 nan 8.370 nan 0.000 0.423 549 L N -0.514 120.763 121.223 0.092 0.000 2.343 549 L HA 0.696 5.036 4.340 -0.000 0.000 0.275 549 L C 1.527 178.427 176.870 0.051 0.000 1.056 549 L CA -0.067 54.818 54.840 0.075 0.000 0.804 549 L CB 1.574 43.690 42.059 0.095 0.000 1.203 549 L HN 0.103 nan 8.230 nan 0.000 0.440 550 A N 0.139 122.979 122.820 0.034 0.000 2.009 550 A HA 0.062 4.382 4.320 -0.000 0.000 0.197 550 A C 0.538 178.133 177.584 0.017 0.000 1.471 550 A CA -0.029 52.022 52.037 0.022 0.000 0.973 550 A CB 0.127 19.134 19.000 0.011 0.000 1.020 550 A HN 0.692 nan 8.150 nan 0.000 0.476 551 D N 1.646 122.055 120.400 0.015 0.000 2.472 551 D HA 0.069 4.709 4.640 -0.000 0.000 0.248 551 D C -1.313 175.003 176.300 0.027 0.000 1.174 551 D CA -1.412 52.595 54.000 0.011 0.000 0.883 551 D CB 1.167 41.968 40.800 0.001 0.000 1.149 551 D HN 0.130 nan 8.370 nan 0.000 0.488 552 P HA -0.139 nan 4.420 nan 0.000 0.220 552 P C 1.071 178.415 177.300 0.073 0.000 1.144 552 P CA 0.974 64.103 63.100 0.049 0.000 0.800 552 P CB 0.280 32.004 31.700 0.040 0.000 0.772 553 T N -1.002 113.583 114.554 0.053 0.000 3.067 553 T HA 0.225 4.574 4.350 -0.000 0.000 0.261 553 T C 1.137 175.861 174.700 0.040 0.000 1.110 553 T CA 0.349 62.479 62.100 0.049 0.000 1.113 553 T CB -0.266 68.616 68.868 0.023 0.000 0.917 553 T HN 0.150 nan 8.240 nan 0.000 0.499 554 A N 0.282 123.123 122.820 0.035 0.000 2.327 554 A HA 0.533 4.853 4.320 -0.000 0.000 0.255 554 A C 1.521 179.150 177.584 0.074 0.000 1.099 554 A CA 0.195 52.245 52.037 0.021 0.000 0.801 554 A CB -0.657 18.350 19.000 0.012 0.000 1.062 554 A HN 0.752 nan 8.150 nan 0.000 0.496 555 G N -1.045 107.787 108.800 0.053 0.000 2.273 555 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.280 555 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.280 555 G C 0.369 175.467 174.900 0.331 0.000 1.047 555 G CA 0.247 45.441 45.100 0.157 0.000 0.869 555 G HN 1.784 nan 8.290 nan 0.000 0.502 556 L N -3.229 118.100 121.223 0.177 0.000 3.717 556 L HA -0.223 4.117 4.340 -0.000 0.000 0.414 556 L C 2.020 179.122 176.870 0.386 0.000 1.228 556 L CA 1.155 56.148 54.840 0.256 0.000 0.918 556 L CB -1.530 40.765 42.059 0.393 0.000 1.865 556 L HN 2.066 nan 8.230 nan 0.000 0.922 557 G N -1.956 106.981 108.800 0.229 0.000 2.199 557 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.254 557 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.254 557 G C 0.917 175.909 174.900 0.153 0.000 0.982 557 G CA 0.603 45.813 45.100 0.184 0.000 0.632 557 G HN 1.031 nan 8.290 nan 0.000 0.529 558 A N -0.032 122.886 122.820 0.164 0.000 2.014 558 A HA 0.420 4.740 4.320 -0.000 0.000 0.218 558 A C 2.536 180.247 177.584 0.211 0.000 1.163 558 A CA 2.248 54.340 52.037 0.092 0.000 0.652 558 A CB -0.297 18.624 19.000 -0.132 0.000 0.808 558 A HN 1.065 nan 8.150 nan 0.000 0.449 559 V N 0.073 120.093 119.914 0.176 0.000 2.255 559 V HA -0.232 3.888 4.120 -0.000 0.000 0.247 559 V C 2.842 179.017 176.094 0.135 0.000 1.051 559 V CA 2.139 64.530 62.300 0.152 0.000 1.018 559 V CB -1.484 30.406 31.823 0.111 0.000 0.641 559 V HN 0.577 nan 8.190 nan 0.000 0.445 560 G N -0.553 108.317 108.800 0.117 0.000 2.418 560 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.217 560 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.217 560 G C 1.765 176.758 174.900 0.155 0.000 1.158 560 G CA 1.065 46.218 45.100 0.087 0.000 0.771 560 G HN 0.631 nan 8.290 nan 0.000 0.545 561 A N 0.063 123.004 122.820 0.202 0.000 1.933 561 A HA 0.181 4.501 4.320 -0.000 0.000 0.218 561 A C 1.610 179.109 177.584 -0.142 0.000 1.175 561 A CA 0.895 52.995 52.037 0.106 0.000 0.628 561 A CB -0.350 18.587 19.000 -0.105 0.000 0.814 561 A HN 0.333 nan 8.150 nan 0.000 0.444 562 F N 0.010 120.061 119.950 0.168 0.000 2.750 562 F HA 0.179 4.706 4.527 -0.000 0.000 0.297 562 F C 1.674 177.540 175.800 0.111 0.000 1.138 562 F CA 0.028 58.108 58.000 0.134 0.000 1.346 562 F CB 0.260 39.245 39.000 -0.025 0.000 0.965 562 F HN 0.312 nan 8.300 nan 0.000 0.514 563 K N -0.305 120.199 120.400 0.173 0.000 2.211 563 K HA -0.142 4.178 4.320 -0.000 0.000 0.204 563 K C 1.327 178.013 176.600 0.144 0.000 1.047 563 K CA 1.266 57.605 56.287 0.088 0.000 0.935 563 K CB -0.095 32.363 32.500 -0.070 0.000 0.728 563 K HN 0.044 nan 8.250 nan 0.000 0.452 564 K N 0.608 121.171 120.400 0.272 0.000 2.400 564 K HA 0.052 4.372 4.320 -0.000 0.000 0.194 564 K C 1.794 178.692 176.600 0.497 0.000 1.033 564 K CA 0.120 56.637 56.287 0.384 0.000 1.021 564 K CB -0.093 32.706 32.500 0.499 0.000 0.808 564 K HN 0.117 nan 8.250 nan 0.000 0.505 565 L N 1.855 123.258 121.223 0.300 0.000 2.043 565 L HA -0.169 4.170 4.340 -0.000 0.000 0.212 565 L C 2.081 179.024 176.870 0.121 0.000 1.075 565 L CA 1.949 56.794 54.840 0.008 0.000 0.752 565 L CB -0.848 41.096 42.059 -0.191 0.000 0.891 565 L HN 0.181 nan 8.230 nan 0.000 0.432 566 A N -1.034 121.839 122.820 0.087 0.000 2.131 566 A HA -0.226 4.094 4.320 -0.000 0.000 0.220 566 A C 1.921 179.513 177.584 0.013 0.000 1.158 566 A CA 1.903 53.962 52.037 0.037 0.000 0.665 566 A CB -1.023 17.987 19.000 0.017 0.000 0.795 566 A HN 0.755 nan 8.150 nan 0.000 0.460 567 N N -2.322 116.382 118.700 0.007 0.000 2.461 567 N HA 0.042 4.782 4.740 -0.000 0.000 0.188 567 N C 0.331 175.590 175.510 -0.418 0.000 1.134 567 N CA 0.669 53.581 53.050 -0.230 0.000 0.878 567 N CB 0.024 38.283 38.487 -0.379 0.000 0.972 567 N HN 0.683 nan 8.380 nan 0.000 0.456 568 Y N -1.261 119.088 120.300 0.082 0.000 2.448 568 Y HA 0.297 4.847 4.550 -0.000 0.000 0.257 568 Y C 0.572 176.471 175.900 -0.001 0.000 1.089 568 Y CA -0.223 57.924 58.100 0.079 0.000 1.245 568 Y CB 1.301 39.890 38.460 0.215 0.000 1.282 568 Y HN -0.194 nan 8.280 nan 0.000 0.529 569 T N -0.163 114.453 114.554 0.103 0.000 2.830 569 T HA 0.418 4.768 4.350 -0.000 0.000 0.322 569 T C -1.849 172.844 174.700 -0.013 0.000 1.501 569 T CA -0.651 61.460 62.100 0.018 0.000 1.036 569 T CB 1.573 70.442 68.868 0.002 0.000 1.379 569 T HN -0.169 nan 8.240 nan 0.000 0.493 570 Q N 1.578 121.361 119.800 -0.028 0.000 2.496 570 Q HA 0.537 4.877 4.340 -0.000 0.000 0.286 570 Q C -0.059 175.923 176.000 -0.031 0.000 1.103 570 Q CA -0.918 54.865 55.803 -0.034 0.000 0.813 570 Q CB 1.992 30.707 28.738 -0.037 0.000 1.444 570 Q HN 0.735 nan 8.270 nan 0.000 0.443 571 M N 0.044 119.622 119.600 -0.037 0.000 2.184 571 M HA 0.392 4.872 4.480 -0.000 0.000 0.296 571 M C 0.645 176.943 176.300 -0.003 0.000 1.165 571 M CA 0.717 56.001 55.300 -0.027 0.000 1.175 571 M CB 0.185 32.757 32.600 -0.048 0.000 1.392 571 M HN 0.821 nan 8.290 nan 0.000 0.457 572 G N -0.822 107.983 108.800 0.009 0.000 2.489 572 G HA2 0.631 4.591 3.960 -0.000 0.000 0.305 572 G HA3 0.631 4.591 3.960 -0.000 0.000 0.305 572 G C -1.508 173.302 174.900 -0.151 0.000 1.311 572 G CA -0.173 44.947 45.100 0.034 0.000 0.813 572 G HN 0.979 nan 8.290 nan 0.000 0.480 573 G N -1.345 107.253 108.800 -0.338 0.000 1.984 573 G HA2 0.794 4.754 3.960 -0.000 0.000 0.313 573 G HA3 0.794 4.754 3.960 -0.000 0.000 0.313 573 G C -0.220 174.015 174.900 -1.107 0.000 1.632 573 G CA 0.928 45.368 45.100 -1.099 0.000 0.963 573 G HN 2.140 nan 8.290 nan 0.000 0.595 574 G N -0.930 106.959 108.800 -1.518 0.000 2.325 574 G HA2 0.675 4.635 3.960 -0.000 0.000 0.295 574 G HA3 0.675 4.635 3.960 -0.000 0.000 0.295 574 G C -1.735 172.746 174.900 -0.699 0.000 1.274 574 G CA 0.290 44.768 45.100 -1.037 0.000 0.857 574 G HN 1.452 nan 8.290 nan 0.000 0.499 575 V N -0.411 119.446 119.914 -0.095 0.000 2.709 575 V HA 0.741 4.861 4.120 -0.000 0.000 0.308 575 V C -0.354 175.817 176.094 0.129 0.000 1.062 575 V CA -0.823 61.549 62.300 0.119 0.000 0.901 575 V CB 1.592 33.479 31.823 0.106 0.000 1.003 575 V HN 0.768 nan 8.190 nan 0.000 0.425 576 V N 4.303 124.266 119.914 0.081 0.000 2.448 576 V HA 0.567 4.687 4.120 -0.000 0.000 0.295 576 V C -0.358 175.521 176.094 -0.359 0.000 1.025 576 V CA -0.579 61.628 62.300 -0.155 0.000 0.859 576 V CB 1.994 33.751 31.823 -0.110 0.000 0.988 576 V HN 0.655 nan 8.190 nan 0.000 0.431 577 V N 5.324 124.832 119.914 -0.676 0.000 2.417 577 V HA 0.578 4.698 4.120 -0.000 0.000 0.291 577 V C -0.625 175.153 176.094 -0.526 0.000 1.024 577 V CA -0.478 61.447 62.300 -0.625 0.000 0.861 577 V CB 1.430 32.535 31.823 -1.197 0.000 0.985 577 V HN 0.648 nan 8.190 nan 0.000 0.436 578 F N 2.152 121.975 119.950 -0.213 0.000 2.541 578 F HA 0.852 5.378 4.527 -0.000 0.000 0.331 578 F C 0.535 176.269 175.800 -0.110 0.000 1.057 578 F CA -0.315 57.592 58.000 -0.155 0.000 0.975 578 F CB 2.267 41.171 39.000 -0.161 0.000 1.246 578 F HN 0.602 nan 8.300 nan 0.000 0.484 579 S N 0.234 115.974 115.700 0.068 0.000 2.595 579 S HA 0.533 5.003 4.470 -0.000 0.000 0.270 579 S C -1.481 173.066 174.600 -0.089 0.000 1.145 579 S CA -1.176 56.954 58.200 -0.116 0.000 0.825 579 S CB 0.579 63.647 63.200 -0.220 0.000 1.107 579 S HN 0.594 nan 8.310 nan 0.000 0.461 580 L N 2.561 123.697 121.223 -0.145 0.000 2.559 580 L HA 0.190 4.530 4.340 -0.000 0.000 0.274 580 L C 0.107 176.950 176.870 -0.045 0.000 1.205 580 L CA 0.519 55.300 54.840 -0.098 0.000 0.907 580 L CB -0.492 41.499 42.059 -0.113 0.000 1.153 580 L HN 0.871 nan 8.230 nan 0.000 0.490 581 D N 2.288 122.686 120.400 -0.003 0.000 3.077 581 D HA -0.203 4.437 4.640 -0.000 0.000 0.217 581 D C 1.143 177.466 176.300 0.039 0.000 1.162 581 D CA 1.285 55.300 54.000 0.026 0.000 0.943 581 D CB -1.255 39.553 40.800 0.013 0.000 1.122 581 D HN 1.096 nan 8.370 nan 0.000 0.413 582 G N 0.193 109.015 108.800 0.038 0.000 2.233 582 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.270 582 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.270 582 G C 0.268 175.219 174.900 0.085 0.000 1.011 582 G CA 0.957 46.089 45.100 0.053 0.000 0.762 582 G HN 0.503 nan 8.290 nan 0.000 0.511 583 K N 0.043 120.479 120.400 0.059 0.000 2.436 583 K HA 0.493 4.813 4.320 -0.000 0.000 0.275 583 K C 0.927 177.635 176.600 0.181 0.000 0.999 583 K CA 0.640 56.974 56.287 0.079 0.000 0.980 583 K CB 0.935 33.447 32.500 0.020 0.000 0.919 583 K HN 0.544 nan 8.250 nan 0.000 0.484 584 G N 1.719 110.636 108.800 0.195 0.000 2.650 584 G HA2 0.228 4.188 3.960 -0.000 0.000 0.310 584 G HA3 0.228 4.188 3.960 -0.000 0.000 0.310 584 G C -2.449 172.497 174.900 0.078 0.000 1.270 584 G CA -0.830 44.433 45.100 0.270 0.000 0.810 584 G HN 0.284 nan 8.290 nan 0.000 0.493 585 P HA -0.001 nan 4.420 nan 0.000 0.218 585 P C 0.437 177.458 177.300 -0.465 0.000 1.149 585 P CA 1.109 63.964 63.100 -0.408 0.000 0.817 585 P CB -0.019 31.180 31.700 -0.835 0.000 0.785 586 Y N -1.021 119.280 120.300 0.002 0.000 2.583 586 Y HA 0.098 4.648 4.550 -0.000 0.000 0.294 586 Y C 1.442 177.358 175.900 0.025 0.000 1.170 586 Y CA -0.417 57.684 58.100 0.002 0.000 1.265 586 Y CB -0.583 37.872 38.460 -0.009 0.000 1.119 586 Y HN -0.117 nan 8.280 nan 0.000 0.522 587 D N 0.293 120.755 120.400 0.103 0.000 2.218 587 D HA -0.137 4.503 4.640 -0.000 0.000 0.204 587 D C 0.365 176.710 176.300 0.075 0.000 0.976 587 D CA 1.314 55.366 54.000 0.086 0.000 0.853 587 D CB 0.029 40.865 40.800 0.061 0.000 0.939 587 D HN 0.260 nan 8.370 nan 0.000 0.481 588 D N -0.144 120.301 120.400 0.074 0.000 2.412 588 D HA 0.081 4.721 4.640 -0.000 0.000 0.224 588 D C -1.749 174.613 176.300 0.104 0.000 1.093 588 D CA -2.240 51.798 54.000 0.065 0.000 0.850 588 D CB 1.655 42.481 40.800 0.043 0.000 1.046 588 D HN -0.046 nan 8.370 nan 0.000 0.507 589 P HA -0.114 nan 4.420 nan 0.000 0.223 589 P C 0.532 177.879 177.300 0.079 0.000 1.144 589 P CA 0.556 63.711 63.100 0.092 0.000 0.783 589 P CB 0.466 32.198 31.700 0.053 0.000 0.771 590 N N -0.206 118.535 118.700 0.069 0.000 2.494 590 N HA 0.001 4.741 4.740 -0.000 0.000 0.182 590 N C 0.478 176.030 175.510 0.070 0.000 1.076 590 N CA 0.269 53.351 53.050 0.053 0.000 0.908 590 N CB -0.066 38.439 38.487 0.031 0.000 0.967 590 N HN 0.098 nan 8.380 nan 0.000 0.449 591 V N 0.809 120.793 119.914 0.117 0.000 2.529 591 V HA 0.247 4.367 4.120 -0.000 0.000 0.292 591 V C 1.455 177.684 176.094 0.224 0.000 1.028 591 V CA 0.769 63.154 62.300 0.141 0.000 1.074 591 V CB 0.495 32.390 31.823 0.119 0.000 0.958 591 V HN 0.566 nan 8.190 nan 0.000 0.481 592 G N 3.615 112.504 108.800 0.149 0.000 2.199 592 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.254 592 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.254 592 G C 0.108 175.044 174.900 0.061 0.000 0.982 592 G CA -0.103 45.074 45.100 0.129 0.000 0.632 592 G HN 0.605 nan 8.290 nan 0.000 0.529 593 E N -0.625 119.609 120.200 0.057 0.000 2.366 593 E HA 0.351 4.701 4.350 -0.000 0.000 0.266 593 E C 0.116 176.782 176.600 0.109 0.000 1.051 593 E CA -0.842 55.601 56.400 0.072 0.000 0.884 593 E CB 0.751 30.483 29.700 0.054 0.000 1.006 593 E HN 0.352 nan 8.360 nan 0.000 0.417 594 W N 3.071 124.361 121.300 -0.016 0.000 2.190 594 W HA 0.157 4.816 4.660 -0.000 0.000 0.330 594 W C 0.326 176.841 176.519 -0.006 0.000 1.299 594 W CA 0.365 57.704 57.345 -0.011 0.000 1.215 594 W CB 0.518 29.970 29.460 -0.013 0.000 1.147 594 W HN 0.317 nan 8.180 nan 0.000 0.563 595 K N 0.000 119.880 120.400 -0.866 0.000 2.780 595 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 595 K CA 0.000 55.803 56.287 -0.807 0.000 0.838 595 K CB 0.000 32.269 32.500 -0.385 0.000 1.064 595 K HN 0.000 nan 8.250 nan 0.000 0.543