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 3ed4_1_D DATA FIRST_RESID 30 DATA SEQUENCE NAFSPAXXXX XXQPNLVIIM ADDLGYGDLA TYGHQIVKTP NIDRLAQEGV DATA SEQUENCE KFTDYYAPAP LSSPSRAGLL TGRMPFRTGI RSWIPSGKDV ALGRNELTIA DATA SEQUENCE NLLKAQGYDT AMMGKLHLNA GGDRTDQPQA QDMGFDYSLA NTAGFVTDAT DATA SEQUENCE LDNAKERPRY GMVYPTGWLR NGQPTPRADK MSGEYVSSEV VNWLDNKKDS DATA SEQUENCE KPFFLYVAFT EVHSPLASPK KYLDMYSQYM SAYQKQHPDL FYGDWADKPW DATA SEQUENCE RGVGEYYANI SYLDAQVGKV LDKIKAMGEE DNTIVIFTSD NGPVTREARK DATA SEQUENCE VYELNLAGET DGLRGRKDNL WEGGIRVPAI IKYGKHLPQG MVSDTPVYGL DATA SEQUENCE DWMPTLAKMM NFKLPTDRTF DGESLVPVLE QKALKREKPL IFGIDMPFQD DATA SEQUENCE DPTDEWAIRD GDWKMIIDRN NKPKYLYNLK SDRYETLNLI GKKPDIEKQM DATA SEQUENCE YGKFLKYKTD IDNDSLMKAR GDKPEAVTWG 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 30 N HA 0.000 nan 4.740 nan 0.000 0.220 30 N C 0.000 175.525 175.510 0.024 0.000 1.280 30 N CA 0.000 53.090 53.050 0.066 0.000 0.885 30 N CB 0.000 38.546 38.487 0.098 0.000 1.341 31 A N 2.055 124.867 122.820 -0.013 0.000 2.121 31 A HA 0.132 4.452 4.320 0.000 0.000 0.218 31 A C 0.480 177.806 177.584 -0.430 0.000 1.154 31 A CA 0.944 52.827 52.037 -0.257 0.000 0.679 31 A CB -0.584 18.167 19.000 -0.415 0.000 0.795 31 A HN 0.498 nan 8.150 nan 0.000 0.458 32 F N 0.176 120.126 119.950 -0.001 0.000 2.772 32 F HA 0.284 4.811 4.527 0.000 0.000 0.302 32 F C 0.610 176.406 175.800 -0.006 0.000 1.136 32 F CA -0.232 57.766 58.000 -0.003 0.000 1.322 32 F CB 0.324 39.322 39.000 -0.003 0.000 0.967 32 F HN -0.106 nan 8.300 nan 0.000 0.513 33 S N 0.952 116.703 115.700 0.085 0.000 2.554 33 S HA 0.449 4.919 4.470 0.000 0.000 0.278 33 S C -1.922 172.693 174.600 0.025 0.000 1.242 33 S CA -1.076 57.155 58.200 0.053 0.000 1.051 33 S CB 0.592 63.810 63.200 0.030 0.000 0.986 33 S HN -0.010 nan 8.310 nan 0.000 0.502 34 P HA 0.347 nan 4.420 nan 0.000 0.266 34 P C 0.084 177.379 177.300 -0.009 0.000 1.186 34 P CA 0.560 63.661 63.100 0.001 0.000 0.767 34 P CB -0.018 31.676 31.700 -0.010 0.000 0.820 43 P HA 0.113 nan 4.420 nan 0.000 0.275 43 P C -0.677 176.635 177.300 0.020 0.000 1.228 43 P CA -0.225 62.897 63.100 0.037 0.000 0.786 43 P CB 0.650 32.319 31.700 -0.052 0.000 0.927 44 N N 1.114 119.733 118.700 -0.134 0.000 2.399 44 N HA 0.258 4.998 4.740 0.000 0.000 0.250 44 N C -0.265 175.180 175.510 -0.108 0.000 1.272 44 N CA -0.000 52.854 53.050 -0.326 0.000 0.928 44 N CB 0.135 38.020 38.487 -1.003 0.000 1.158 44 N HN 0.351 nan 8.380 nan 0.000 0.463 45 L N 0.235 121.464 121.223 0.010 0.000 2.436 45 L HA 0.469 4.809 4.340 0.000 0.000 0.268 45 L C -1.492 175.584 176.870 0.343 0.000 0.974 45 L CA -0.632 54.291 54.840 0.138 0.000 0.826 45 L CB 1.913 44.012 42.059 0.067 0.000 1.291 45 L HN 0.202 nan 8.230 nan 0.000 0.406 46 V N 6.546 126.619 119.914 0.264 0.000 2.409 46 V HA 0.475 4.595 4.120 0.000 0.000 0.290 46 V C -0.123 176.096 176.094 0.208 0.000 1.017 46 V CA -0.362 62.102 62.300 0.273 0.000 0.841 46 V CB 1.506 33.478 31.823 0.247 0.000 1.003 46 V HN 0.613 nan 8.190 nan 0.000 0.426 47 I N 6.086 126.815 120.570 0.265 0.000 2.312 47 I HA 0.436 4.606 4.170 0.000 0.000 0.290 47 I C -0.449 175.716 176.117 0.080 0.000 1.008 47 I CA -0.193 61.219 61.300 0.187 0.000 1.226 47 I CB 1.268 39.476 38.000 0.347 0.000 1.371 47 I HN 0.464 nan 8.210 nan 0.000 0.468 48 I N 7.192 127.792 120.570 0.051 0.000 2.312 48 I HA 0.316 4.486 4.170 0.000 0.000 0.290 48 I C -0.178 175.884 176.117 -0.092 0.000 1.008 48 I CA -0.364 60.961 61.300 0.042 0.000 1.226 48 I CB 1.433 39.625 38.000 0.320 0.000 1.371 48 I HN 0.530 nan 8.210 nan 0.000 0.468 49 M N 7.178 126.688 119.600 -0.150 0.000 2.078 49 M HA 0.635 5.115 4.480 0.000 0.000 0.320 49 M C -0.359 175.901 176.300 -0.067 0.000 0.969 49 M CA -0.176 55.029 55.300 -0.158 0.000 0.929 49 M CB 1.154 33.696 32.600 -0.097 0.000 1.504 49 M HN 0.628 nan 8.290 nan 0.000 0.419 50 A N 2.862 125.598 122.820 -0.140 0.000 2.332 50 A HA 0.490 4.810 4.320 0.000 0.000 0.258 50 A C -0.632 176.982 177.584 0.051 0.000 1.087 50 A CA -0.371 51.671 52.037 0.010 0.000 0.802 50 A CB 0.300 19.291 19.000 -0.015 0.000 1.042 50 A HN 0.746 nan 8.150 nan 0.000 0.489 51 D N 0.338 120.806 120.400 0.114 0.000 2.344 51 D HA 0.403 5.043 4.640 0.000 0.000 0.239 51 D C -0.735 175.679 176.300 0.191 0.000 1.064 51 D CA 0.188 54.290 54.000 0.171 0.000 0.829 51 D CB 0.770 41.694 40.800 0.207 0.000 1.129 51 D HN 0.489 nan 8.370 nan 0.000 0.506 52 D N 1.437 121.953 120.400 0.194 0.000 3.012 52 D HA -0.225 4.415 4.640 0.000 0.000 0.222 52 D C -0.071 176.336 176.300 0.178 0.000 1.167 52 D CA 0.344 54.451 54.000 0.179 0.000 0.854 52 D CB -1.290 39.600 40.800 0.149 0.000 1.107 52 D HN 0.297 nan 8.370 nan 0.000 0.421 53 L N 0.761 122.072 121.223 0.145 0.000 2.361 53 L HA 0.507 4.847 4.340 0.000 0.000 0.278 53 L C 1.193 178.148 176.870 0.143 0.000 1.113 53 L CA 0.223 55.146 54.840 0.138 0.000 0.849 53 L CB 0.874 42.992 42.059 0.100 0.000 1.155 53 L HN 0.073 nan 8.230 nan 0.000 0.452 54 G N 3.088 111.995 108.800 0.179 0.000 2.572 54 G HA2 0.024 3.984 3.960 0.000 0.000 0.261 54 G HA3 0.024 3.984 3.960 0.000 0.000 0.261 54 G C 0.188 175.169 174.900 0.134 0.000 1.197 54 G CA -0.193 45.012 45.100 0.175 0.000 0.870 54 G HN 0.760 nan 8.290 nan 0.000 0.548 55 Y N 0.643 120.955 120.300 0.020 0.000 2.256 55 Y HA -0.068 4.482 4.550 0.000 0.000 0.288 55 Y C 2.383 178.301 175.900 0.031 0.000 1.155 55 Y CA 2.241 60.320 58.100 -0.036 0.000 1.203 55 Y CB 0.069 38.539 38.460 0.018 0.000 0.980 55 Y HN 0.434 nan 8.280 nan 0.000 0.530 56 G N -1.488 107.390 108.800 0.129 0.000 3.337 56 G HA2 0.003 3.963 3.960 0.000 0.000 0.246 56 G HA3 0.003 3.963 3.960 0.000 0.000 0.246 56 G C 0.679 175.704 174.900 0.209 0.000 1.131 56 G CA 0.205 45.373 45.100 0.115 0.000 0.773 56 G HN 0.239 nan 8.290 nan 0.000 0.544 57 D N 0.449 120.963 120.400 0.190 0.000 2.349 57 D HA 0.123 4.763 4.640 0.000 0.000 0.224 57 D C 0.853 177.199 176.300 0.077 0.000 1.029 57 D CA 0.290 54.433 54.000 0.238 0.000 0.879 57 D CB 0.507 41.430 40.800 0.206 0.000 0.906 57 D HN 0.271 nan 8.370 nan 0.000 0.528 58 L N -0.285 120.995 121.223 0.094 0.000 2.334 58 L HA 0.468 4.808 4.340 0.000 0.000 0.273 58 L C 1.433 178.381 176.870 0.129 0.000 1.013 58 L CA -0.854 54.032 54.840 0.077 0.000 0.816 58 L CB 1.929 44.069 42.059 0.134 0.000 1.278 58 L HN -0.254 nan 8.230 nan 0.000 0.431 59 A N 0.873 123.729 122.820 0.060 0.000 1.940 59 A HA -0.177 4.143 4.320 0.000 0.000 0.219 59 A C 2.088 179.704 177.584 0.053 0.000 1.176 59 A CA 2.465 54.540 52.037 0.064 0.000 0.631 59 A CB -0.566 18.447 19.000 0.023 0.000 0.814 59 A HN 0.834 nan 8.150 nan 0.000 0.446 60 T N -2.506 112.078 114.554 0.050 0.000 3.051 60 T HA -0.069 4.281 4.350 0.000 0.000 0.269 60 T C 0.804 175.422 174.700 -0.138 0.000 1.127 60 T CA 1.013 63.097 62.100 -0.027 0.000 1.107 60 T CB -0.386 68.462 68.868 -0.034 0.000 0.898 60 T HN 0.529 nan 8.240 nan 0.000 0.517 61 Y N 0.022 120.277 120.300 -0.075 0.000 2.607 61 Y HA 0.434 4.984 4.550 0.000 0.000 0.266 61 Y C 1.667 177.499 175.900 -0.113 0.000 1.178 61 Y CA -0.207 57.796 58.100 -0.161 0.000 1.226 61 Y CB 0.406 38.697 38.460 -0.282 0.000 1.144 61 Y HN 0.274 nan 8.280 nan 0.000 0.528 62 G N -0.623 108.205 108.800 0.047 0.000 2.144 62 G HA2 -0.269 3.691 3.960 0.000 0.000 0.218 62 G HA3 -0.269 3.691 3.960 0.000 0.000 0.218 62 G C 0.020 174.946 174.900 0.043 0.000 0.988 62 G CA -0.268 44.851 45.100 0.032 0.000 0.659 62 G HN 0.426 nan 8.290 nan 0.000 0.522 63 H N 0.786 119.852 119.070 -0.008 0.000 2.964 63 H HA 0.269 4.825 4.556 0.000 0.000 0.328 63 H C 1.424 176.710 175.328 -0.070 0.000 1.030 63 H CA 1.012 57.029 56.048 -0.052 0.000 1.445 63 H CB 0.808 30.518 29.762 -0.087 0.000 1.449 63 H HN 0.438 nan 8.280 nan 0.000 0.581 64 Q N 3.552 123.304 119.800 -0.079 0.000 2.408 64 Q HA 0.130 4.471 4.340 0.000 0.000 0.205 64 Q C 1.292 177.322 176.000 0.050 0.000 0.919 64 Q CA 0.604 56.399 55.803 -0.014 0.000 0.932 64 Q CB 0.799 29.497 28.738 -0.066 0.000 1.058 64 Q HN 0.685 nan 8.270 nan 0.000 0.517 65 I N -1.930 118.713 120.570 0.122 0.000 3.739 65 I HA 0.065 4.235 4.170 0.000 0.000 0.272 65 I C 0.469 176.571 176.117 -0.026 0.000 1.167 65 I CA -0.127 61.162 61.300 -0.017 0.000 1.386 65 I CB 0.608 38.394 38.000 -0.357 0.000 1.490 65 I HN -0.133 nan 8.210 nan 0.000 0.452 66 V N 3.433 123.155 119.914 -0.321 0.000 2.740 66 V HA 0.063 4.184 4.120 0.000 0.000 0.303 66 V C -0.073 175.991 176.094 -0.051 0.000 1.054 66 V CA 0.138 62.210 62.300 -0.380 0.000 1.106 66 V CB 0.651 31.913 31.823 -0.935 0.000 0.957 66 V HN 0.115 nan 8.190 nan 0.000 0.486 67 K N 4.265 124.739 120.400 0.123 0.000 2.316 67 K HA 0.360 4.680 4.320 0.000 0.000 0.267 67 K C -0.016 176.615 176.600 0.052 0.000 1.025 67 K CA -0.147 56.194 56.287 0.090 0.000 0.896 67 K CB 1.268 33.837 32.500 0.114 0.000 1.124 67 K HN 0.841 nan 8.250 nan 0.000 0.451 68 T N -0.371 114.184 114.554 0.001 0.000 3.514 68 T HA 0.224 4.574 4.350 0.000 0.000 0.259 68 T C -1.639 173.040 174.700 -0.035 0.000 1.466 68 T CA -1.516 60.565 62.100 -0.031 0.000 1.562 68 T CB 0.784 69.611 68.868 -0.068 0.000 0.924 68 T HN 0.145 nan 8.240 nan 0.000 0.678 69 P HA -0.113 nan 4.420 nan 0.000 0.216 69 P C 1.278 178.557 177.300 -0.036 0.000 1.150 69 P CA 1.094 64.184 63.100 -0.015 0.000 0.837 69 P CB 0.214 31.916 31.700 0.003 0.000 0.786 70 N N 0.012 118.681 118.700 -0.053 0.000 2.106 70 N HA -0.055 4.686 4.740 0.000 0.000 0.188 70 N C 2.062 177.501 175.510 -0.119 0.000 1.029 70 N CA 1.056 54.062 53.050 -0.072 0.000 0.848 70 N CB -0.522 37.918 38.487 -0.078 0.000 1.007 70 N HN 0.221 nan 8.380 nan 0.000 0.423 71 I N 1.498 121.956 120.570 -0.187 0.000 2.315 71 I HA -0.208 3.962 4.170 0.000 0.000 0.248 71 I C 1.567 177.604 176.117 -0.133 0.000 1.117 71 I CA 0.992 62.130 61.300 -0.270 0.000 1.404 71 I CB -0.205 37.527 38.000 -0.445 0.000 1.071 71 I HN -0.065 nan 8.210 nan 0.000 0.419 72 D N 0.619 120.971 120.400 -0.080 0.000 2.104 72 D HA -0.198 4.442 4.640 0.000 0.000 0.194 72 D C 2.249 178.526 176.300 -0.037 0.000 0.994 72 D CA 1.013 54.988 54.000 -0.042 0.000 0.830 72 D CB -0.326 40.456 40.800 -0.030 0.000 0.959 72 D HN 0.134 nan 8.370 nan 0.000 0.452 73 R N 0.199 120.676 120.500 -0.038 0.000 2.081 73 R HA -0.106 4.235 4.340 0.000 0.000 0.235 73 R C 2.213 178.502 176.300 -0.018 0.000 1.131 73 R CA 0.544 56.630 56.100 -0.024 0.000 0.960 73 R CB -0.613 29.676 30.300 -0.019 0.000 0.856 73 R HN 0.191 nan 8.270 nan 0.000 0.436 74 L N 0.855 122.060 121.223 -0.030 0.000 2.042 74 L HA -0.126 4.214 4.340 0.000 0.000 0.210 74 L C 2.293 179.170 176.870 0.013 0.000 1.076 74 L CA 2.169 57.005 54.840 -0.008 0.000 0.749 74 L CB -0.735 41.302 42.059 -0.037 0.000 0.893 74 L HN 0.178 nan 8.230 nan 0.000 0.432 75 A N -1.376 121.444 122.820 0.001 0.000 1.902 75 A HA -0.221 4.099 4.320 0.000 0.000 0.217 75 A C 2.129 179.705 177.584 -0.014 0.000 1.181 75 A CA 1.571 53.611 52.037 0.005 0.000 0.623 75 A CB -0.554 18.440 19.000 -0.011 0.000 0.818 75 A HN 0.598 nan 8.150 nan 0.000 0.443 76 Q N -0.295 119.494 119.800 -0.018 0.000 2.226 76 Q HA -0.156 4.184 4.340 0.000 0.000 0.204 76 Q C 1.279 177.274 176.000 -0.007 0.000 0.975 76 Q CA 1.483 57.275 55.803 -0.019 0.000 0.866 76 Q CB -0.195 28.532 28.738 -0.019 0.000 0.915 76 Q HN 0.815 nan 8.270 nan 0.000 0.440 77 E N -0.509 119.694 120.200 0.006 0.000 2.474 77 E HA 0.150 4.500 4.350 0.000 0.000 0.195 77 E C 0.717 177.338 176.600 0.035 0.000 1.039 77 E CA 0.171 56.582 56.400 0.019 0.000 0.881 77 E CB 0.706 30.421 29.700 0.026 0.000 0.970 77 E HN 0.227 nan 8.360 nan 0.000 0.486 78 G N 0.021 108.841 108.800 0.034 0.000 3.107 78 G HA2 0.406 4.366 3.960 0.000 0.000 0.233 78 G HA3 0.406 4.366 3.960 0.000 0.000 0.233 78 G C -1.183 173.722 174.900 0.009 0.000 1.168 78 G CA -0.498 44.633 45.100 0.052 0.000 0.801 78 G HN -0.049 nan 8.290 nan 0.000 0.605 79 V N 1.207 121.121 119.914 0.001 0.000 2.347 79 V HA 0.476 4.596 4.120 0.000 0.000 0.280 79 V C -0.034 175.916 176.094 -0.240 0.000 1.021 79 V CA -0.676 61.531 62.300 -0.155 0.000 0.847 79 V CB 1.152 32.855 31.823 -0.200 0.000 0.990 79 V HN 0.634 nan 8.190 nan 0.000 0.444 80 K N 4.498 124.749 120.400 -0.248 0.000 2.213 80 K HA 0.561 4.881 4.320 0.000 0.000 0.270 80 K C -1.394 175.074 176.600 -0.219 0.000 1.002 80 K CA -0.478 55.734 56.287 -0.124 0.000 0.868 80 K CB 0.808 33.245 32.500 -0.105 0.000 1.093 80 K HN 0.441 nan 8.250 nan 0.000 0.454 81 F N 2.155 122.249 119.950 0.239 0.000 2.415 81 F HA 0.162 4.689 4.527 0.000 0.000 0.348 81 F C 1.500 177.512 175.800 0.353 0.000 1.119 81 F CA -0.521 57.641 58.000 0.271 0.000 1.069 81 F CB 1.945 41.137 39.000 0.321 0.000 1.124 81 F HN 0.654 nan 8.300 nan 0.000 0.472 82 T N -3.186 111.617 114.554 0.414 0.000 3.044 82 T HA 0.117 4.467 4.350 0.000 0.000 0.250 82 T C 0.274 175.219 174.700 0.409 0.000 1.081 82 T CA 0.300 62.672 62.100 0.453 0.000 1.040 82 T CB -0.191 68.828 68.868 0.252 0.000 0.962 82 T HN 0.411 nan 8.240 nan 0.000 0.506 83 D N 0.652 121.235 120.400 0.306 0.000 2.895 83 D HA 0.274 4.914 4.640 0.000 0.000 0.350 83 D C -1.241 175.089 176.300 0.049 0.000 1.389 83 D CA -0.556 53.486 54.000 0.070 0.000 0.812 83 D CB 0.198 41.086 40.800 0.146 0.000 1.164 83 D HN 0.475 nan 8.370 nan 0.000 0.455 84 Y N 0.615 120.902 120.300 -0.022 0.000 2.334 84 Y HA 0.503 5.053 4.550 0.000 0.000 0.328 84 Y C -1.233 174.554 175.900 -0.188 0.000 1.130 84 Y CA -0.574 57.529 58.100 0.005 0.000 1.163 84 Y CB 0.551 39.095 38.460 0.140 0.000 1.207 84 Y HN -0.057 nan 8.280 nan 0.000 0.471 85 Y N 3.442 123.349 120.300 -0.654 0.000 2.462 85 Y HA 0.670 5.220 4.550 0.000 0.000 0.346 85 Y C 0.141 175.785 175.900 -0.427 0.000 0.976 85 Y CA -1.115 56.784 58.100 -0.335 0.000 1.044 85 Y CB 1.624 40.067 38.460 -0.028 0.000 1.230 85 Y HN 0.824 nan 8.280 nan 0.000 0.455 86 A N 3.525 126.406 122.820 0.101 0.000 2.425 86 A HA 0.276 4.597 4.320 0.000 0.000 0.242 86 A C -1.868 175.902 177.584 0.310 0.000 1.077 86 A CA -1.112 51.044 52.037 0.197 0.000 0.781 86 A CB -0.001 19.125 19.000 0.210 0.000 1.020 86 A HN 0.654 nan 8.150 nan 0.000 0.494 87 P HA 0.084 nan 4.420 nan 0.000 0.222 87 P C 0.072 177.499 177.300 0.211 0.000 1.147 87 P CA 1.862 65.072 63.100 0.184 0.000 0.790 87 P CB 0.212 31.907 31.700 -0.009 0.000 0.780 88 A N -1.339 121.581 122.820 0.167 0.000 2.589 88 A HA 0.529 4.850 4.320 0.000 0.000 0.296 88 A C -2.687 174.948 177.584 0.085 0.000 1.062 88 A CA -1.187 50.905 52.037 0.092 0.000 0.686 88 A CB 0.775 19.788 19.000 0.022 0.000 1.282 88 A HN -0.229 nan 8.150 nan 0.000 0.404 89 P HA 0.304 nan 4.420 nan 0.000 0.249 89 P C -0.564 176.775 177.300 0.065 0.000 1.544 89 P CA 0.398 63.528 63.100 0.050 0.000 0.932 89 P CB -0.118 31.590 31.700 0.013 0.000 1.524 90 L N -1.273 119.992 121.223 0.070 0.000 2.469 90 L HA 0.267 4.607 4.340 0.000 0.000 0.256 90 L C 1.423 178.372 176.870 0.131 0.000 1.006 90 L CA -0.569 54.332 54.840 0.102 0.000 0.832 90 L CB 2.129 44.205 42.059 0.028 0.000 1.421 90 L HN -0.300 nan 8.230 nan 0.000 0.410 91 S N -0.098 115.726 115.700 0.206 0.000 2.354 91 S HA -0.197 4.273 4.470 0.000 0.000 0.219 91 S C 1.811 176.492 174.600 0.135 0.000 1.035 91 S CA 1.998 60.340 58.200 0.237 0.000 1.037 91 S CB -0.138 63.317 63.200 0.424 0.000 0.956 91 S HN 0.734 nan 8.310 nan 0.000 0.428 92 S N 1.822 117.522 115.700 -0.000 0.000 2.348 92 S HA -0.038 4.432 4.470 0.000 0.000 0.221 92 S C -0.588 174.004 174.600 -0.012 0.000 1.033 92 S CA 1.466 59.590 58.200 -0.125 0.000 1.010 92 S CB -1.117 61.873 63.200 -0.350 0.000 0.891 92 S HN 0.383 nan 8.310 nan 0.000 0.442 93 P HA -0.036 nan 4.420 nan 0.000 0.218 93 P C 1.703 179.029 177.300 0.044 0.000 1.149 93 P CA 1.139 64.262 63.100 0.038 0.000 0.817 93 P CB -0.292 31.440 31.700 0.054 0.000 0.785 94 S N 0.009 115.750 115.700 0.068 0.000 2.356 94 S HA -0.155 4.315 4.470 0.000 0.000 0.223 94 S C 2.158 176.827 174.600 0.114 0.000 1.032 94 S CA 1.161 59.420 58.200 0.099 0.000 1.005 94 S CB -0.567 62.714 63.200 0.135 0.000 0.867 94 S HN 0.027 nan 8.310 nan 0.000 0.449 95 R N 0.758 121.331 120.500 0.122 0.000 2.081 95 R HA 0.019 4.359 4.340 0.000 0.000 0.235 95 R C 2.698 179.050 176.300 0.086 0.000 1.131 95 R CA 1.335 57.517 56.100 0.136 0.000 0.960 95 R CB -0.670 29.725 30.300 0.159 0.000 0.856 95 R HN 0.500 nan 8.270 nan 0.000 0.436 96 A N 0.752 123.607 122.820 0.058 0.000 1.908 96 A HA -0.122 4.198 4.320 0.000 0.000 0.218 96 A C 2.396 179.999 177.584 0.032 0.000 1.181 96 A CA 1.908 53.967 52.037 0.036 0.000 0.627 96 A CB -1.260 17.757 19.000 0.029 0.000 0.818 96 A HN 0.487 nan 8.150 nan 0.000 0.445 97 G N -0.388 108.429 108.800 0.028 0.000 2.404 97 G HA2 -0.155 3.805 3.960 0.000 0.000 0.215 97 G HA3 -0.155 3.805 3.960 0.000 0.000 0.215 97 G C 1.605 176.518 174.900 0.022 0.000 1.174 97 G CA 1.005 46.103 45.100 -0.002 0.000 0.780 97 G HN 0.530 nan 8.290 nan 0.000 0.537 98 L N -0.083 121.189 121.223 0.082 0.000 2.046 98 L HA 0.095 4.435 4.340 0.000 0.000 0.208 98 L C 2.650 179.596 176.870 0.128 0.000 1.077 98 L CA 1.085 56.024 54.840 0.165 0.000 0.747 98 L CB -0.114 42.099 42.059 0.257 0.000 0.896 98 L HN 0.183 nan 8.230 nan 0.000 0.432 99 L N -0.831 120.431 121.223 0.066 0.000 2.313 99 L HA -0.088 4.252 4.340 0.000 0.000 0.214 99 L C 2.221 179.109 176.870 0.030 0.000 1.119 99 L CA 1.395 56.244 54.840 0.015 0.000 0.809 99 L CB -0.485 41.551 42.059 -0.037 0.000 0.933 99 L HN 0.497 nan 8.230 nan 0.000 0.449 100 T N -5.468 109.120 114.554 0.057 0.000 2.990 100 T HA 0.218 4.568 4.350 0.000 0.000 0.250 100 T C 1.478 176.293 174.700 0.192 0.000 1.041 100 T CA 0.429 62.583 62.100 0.090 0.000 1.010 100 T CB 0.681 69.571 68.868 0.037 0.000 1.003 100 T HN 0.303 nan 8.240 nan 0.000 0.499 101 G N 1.809 110.696 108.800 0.145 0.000 2.179 101 G HA2 -0.276 3.684 3.960 0.000 0.000 0.257 101 G HA3 -0.276 3.684 3.960 0.000 0.000 0.257 101 G C -0.002 174.986 174.900 0.147 0.000 1.010 101 G CA 0.169 45.373 45.100 0.175 0.000 0.736 101 G HN 0.716 nan 8.290 nan 0.000 0.513 102 R N -0.782 119.736 120.500 0.031 0.000 2.561 102 R HA 0.504 4.844 4.340 0.000 0.000 0.297 102 R C 0.585 176.847 176.300 -0.062 0.000 0.969 102 R CA -1.130 54.948 56.100 -0.036 0.000 0.879 102 R CB 1.091 31.336 30.300 -0.093 0.000 1.178 102 R HN 0.208 nan 8.270 nan 0.000 0.445 103 M N 5.686 125.238 119.600 -0.080 0.000 2.336 103 M HA 0.001 4.481 4.480 0.000 0.000 0.371 103 M C -1.525 174.721 176.300 -0.091 0.000 1.542 103 M CA -0.979 54.239 55.300 -0.136 0.000 0.959 103 M CB 0.608 33.112 32.600 -0.160 0.000 2.033 103 M HN 0.443 nan 8.290 nan 0.000 0.472 104 P HA -0.193 nan 4.420 nan 0.000 0.217 104 P C 1.270 178.675 177.300 0.174 0.000 1.148 104 P CA 1.559 64.672 63.100 0.020 0.000 0.828 104 P CB -0.293 31.420 31.700 0.022 0.000 0.783 105 F N 0.791 120.694 119.950 -0.079 0.000 2.154 105 F HA -0.152 4.375 4.527 0.000 0.000 0.301 105 F C 2.443 178.232 175.800 -0.019 0.000 1.087 105 F CA 0.719 58.680 58.000 -0.065 0.000 1.274 105 F CB -1.646 37.302 39.000 -0.086 0.000 1.009 105 F HN -0.035 nan 8.300 nan 0.000 0.485 106 R N -0.459 120.146 120.500 0.175 0.000 2.159 106 R HA -0.140 4.200 4.340 0.000 0.000 0.237 106 R C 1.984 178.311 176.300 0.045 0.000 1.131 106 R CA 1.816 57.966 56.100 0.083 0.000 0.982 106 R CB -0.825 29.491 30.300 0.026 0.000 0.868 106 R HN 0.411 nan 8.270 nan 0.000 0.453 107 T N -3.547 111.036 114.554 0.049 0.000 3.107 107 T HA 0.202 4.552 4.350 0.000 0.000 0.249 107 T C 1.264 175.984 174.700 0.034 0.000 1.096 107 T CA 0.493 62.608 62.100 0.026 0.000 1.012 107 T CB 0.828 69.707 68.868 0.018 0.000 0.977 107 T HN 0.385 nan 8.240 nan 0.000 0.527 108 G N 1.195 110.026 108.800 0.053 0.000 2.141 108 G HA2 -0.168 3.792 3.960 0.000 0.000 0.242 108 G HA3 -0.168 3.792 3.960 0.000 0.000 0.242 108 G C -0.082 174.851 174.900 0.055 0.000 0.982 108 G CA 0.023 45.150 45.100 0.045 0.000 0.662 108 G HN 0.643 nan 8.290 nan 0.000 0.527 109 I N 0.127 120.740 120.570 0.072 0.000 2.411 109 I HA 0.440 4.610 4.170 0.000 0.000 0.284 109 I C 1.177 177.357 176.117 0.106 0.000 1.012 109 I CA -0.886 60.458 61.300 0.074 0.000 1.119 109 I CB 1.541 39.569 38.000 0.047 0.000 1.261 109 I HN 0.053 nan 8.210 nan 0.000 0.448 110 R N 2.684 123.200 120.500 0.026 0.000 2.316 110 R HA 0.210 4.550 4.340 0.000 0.000 0.201 110 R C 0.848 177.100 176.300 -0.080 0.000 0.888 110 R CA 0.510 56.553 56.100 -0.096 0.000 1.041 110 R CB 0.617 30.587 30.300 -0.551 0.000 1.115 110 R HN 0.779 nan 8.270 nan 0.000 0.559 111 S N -1.435 114.208 115.700 -0.095 0.000 5.078 111 S HA 0.155 4.625 4.470 0.000 0.000 0.180 111 S C -1.034 173.524 174.600 -0.071 0.000 1.330 111 S CA -0.907 57.142 58.200 -0.251 0.000 0.972 111 S CB 0.210 62.994 63.200 -0.694 0.000 2.034 111 S HN 0.134 nan 8.310 nan 0.000 0.615 112 W N 2.115 123.539 121.300 0.207 0.000 2.170 112 W HA 0.541 5.201 4.660 0.000 0.000 0.336 112 W C -0.235 176.447 176.519 0.271 0.000 1.283 112 W CA -0.895 56.603 57.345 0.255 0.000 1.224 112 W CB -0.145 29.517 29.460 0.336 0.000 1.132 112 W HN 0.383 nan 8.180 nan 0.000 0.571 113 I N 4.836 125.624 120.570 0.362 0.000 2.330 113 I HA 0.130 4.300 4.170 0.000 0.000 0.286 113 I C -1.748 174.447 176.117 0.130 0.000 1.025 113 I CA -1.901 59.498 61.300 0.164 0.000 1.197 113 I CB 0.943 38.969 38.000 0.045 0.000 1.358 113 I HN -0.089 nan 8.210 nan 0.000 0.467 114 P HA 0.117 nan 4.420 nan 0.000 0.285 114 P C -0.115 177.131 177.300 -0.090 0.000 1.259 114 P CA -0.308 62.751 63.100 -0.068 0.000 0.794 114 P CB 1.345 32.899 31.700 -0.244 0.000 0.940 115 S N 1.760 117.441 115.700 -0.032 0.000 2.558 115 S HA 0.264 4.734 4.470 0.000 0.000 0.293 115 S C 1.579 176.141 174.600 -0.064 0.000 1.292 115 S CA 1.291 59.470 58.200 -0.036 0.000 1.063 115 S CB -1.101 62.092 63.200 -0.012 0.000 0.831 115 S HN 0.919 nan 8.310 nan 0.000 0.499 116 G N 3.811 112.573 108.800 -0.063 0.000 2.184 116 G HA2 -0.227 3.733 3.960 0.000 0.000 0.264 116 G HA3 -0.227 3.733 3.960 0.000 0.000 0.264 116 G C 0.159 175.005 174.900 -0.092 0.000 0.975 116 G CA 0.731 45.792 45.100 -0.064 0.000 0.642 116 G HN 0.704 nan 8.290 nan 0.000 0.536 117 K N -0.488 119.827 120.400 -0.141 0.000 2.416 117 K HA 0.472 4.792 4.320 0.000 0.000 0.244 117 K C -0.377 176.120 176.600 -0.171 0.000 1.044 117 K CA -0.706 55.464 56.287 -0.195 0.000 0.972 117 K CB 0.552 32.838 32.500 -0.356 0.000 1.286 117 K HN -0.084 nan 8.250 nan 0.000 0.500 118 D N 1.064 121.354 120.400 -0.183 0.000 2.587 118 D HA 0.112 4.752 4.640 0.000 0.000 0.233 118 D C -0.649 175.576 176.300 -0.124 0.000 1.213 118 D CA 0.120 54.047 54.000 -0.121 0.000 0.827 118 D CB 0.206 40.958 40.800 -0.080 0.000 1.006 118 D HN 0.027 nan 8.370 nan 0.000 0.490 119 V N 0.724 120.535 119.914 -0.172 0.000 2.407 119 V HA 0.813 4.933 4.120 0.000 0.000 0.278 119 V C 0.349 176.404 176.094 -0.065 0.000 1.037 119 V CA -0.492 61.737 62.300 -0.119 0.000 0.900 119 V CB 1.249 32.967 31.823 -0.176 0.000 0.983 119 V HN 0.247 nan 8.190 nan 0.000 0.459 120 A N 4.028 126.831 122.820 -0.029 0.000 2.566 120 A HA 0.687 5.007 4.320 0.000 0.000 0.290 120 A C -1.190 176.391 177.584 -0.004 0.000 1.071 120 A CA -0.810 51.216 52.037 -0.018 0.000 0.658 120 A CB 0.830 19.818 19.000 -0.021 0.000 1.285 120 A HN 0.805 nan 8.150 nan 0.000 0.427 121 L N 1.725 122.947 121.223 -0.000 0.000 2.540 121 L HA 0.432 4.772 4.340 0.000 0.000 0.276 121 L C 1.241 178.111 176.870 0.000 0.000 1.212 121 L CA 1.414 56.257 54.840 0.004 0.000 0.893 121 L CB 0.167 42.231 42.059 0.007 0.000 1.138 121 L HN 1.207 nan 8.230 nan 0.000 0.491 122 G N 5.145 113.946 108.800 0.001 0.000 2.187 122 G HA2 -0.117 3.843 3.960 0.000 0.000 0.239 122 G HA3 -0.117 3.843 3.960 0.000 0.000 0.239 122 G C 1.016 175.911 174.900 -0.008 0.000 1.200 122 G CA 0.258 45.355 45.100 -0.004 0.000 0.888 122 G HN 0.989 nan 8.290 nan 0.000 0.482 123 R N 2.285 122.780 120.500 -0.009 0.000 2.117 123 R HA -0.176 4.164 4.340 0.000 0.000 0.243 123 R C 1.392 177.684 176.300 -0.012 0.000 1.143 123 R CA 1.898 57.992 56.100 -0.010 0.000 0.968 123 R CB -0.237 30.057 30.300 -0.009 0.000 0.863 123 R HN 0.650 nan 8.270 nan 0.000 0.444 124 N N 0.687 119.378 118.700 -0.015 0.000 2.270 124 N HA -0.006 4.734 4.740 0.000 0.000 0.198 124 N C -0.623 174.872 175.510 -0.024 0.000 1.117 124 N CA -0.081 52.958 53.050 -0.018 0.000 0.845 124 N CB 0.098 38.574 38.487 -0.019 0.000 0.980 124 N HN 0.127 nan 8.380 nan 0.000 0.486 125 E N 0.927 121.114 120.200 -0.023 0.000 2.360 125 E HA 0.187 4.537 4.350 0.000 0.000 0.269 125 E C -0.243 176.344 176.600 -0.022 0.000 1.022 125 E CA -0.212 56.172 56.400 -0.027 0.000 0.887 125 E CB 1.658 31.346 29.700 -0.020 0.000 0.990 125 E HN 0.293 nan 8.360 nan 0.000 0.426 126 L N 2.414 123.629 121.223 -0.014 0.000 2.296 126 L HA 0.257 4.598 4.340 0.000 0.000 0.286 126 L C 0.877 177.740 176.870 -0.012 0.000 1.023 126 L CA -0.622 54.209 54.840 -0.015 0.000 0.812 126 L CB 1.531 43.596 42.059 0.010 0.000 1.223 126 L HN 0.543 nan 8.230 nan 0.000 0.421 127 T N -0.991 113.525 114.554 -0.063 0.000 2.881 127 T HA 0.406 4.756 4.350 0.000 0.000 0.278 127 T C 1.445 176.051 174.700 -0.156 0.000 0.982 127 T CA -0.677 61.373 62.100 -0.084 0.000 0.989 127 T CB 1.055 69.858 68.868 -0.107 0.000 1.058 127 T HN 0.422 nan 8.240 nan 0.000 0.529 128 I N 0.972 121.434 120.570 -0.180 0.000 2.185 128 I HA -0.227 3.944 4.170 0.000 0.000 0.246 128 I C 3.022 178.837 176.117 -0.505 0.000 1.088 128 I CA 1.912 62.998 61.300 -0.356 0.000 1.347 128 I CB -0.906 36.843 38.000 -0.419 0.000 1.041 128 I HN 0.867 nan 8.210 nan 0.000 0.415 129 A N 1.015 123.605 122.820 -0.383 0.000 1.877 129 A HA -0.255 4.065 4.320 0.000 0.000 0.216 129 A C 2.025 179.383 177.584 -0.377 0.000 1.186 129 A CA 2.367 54.148 52.037 -0.425 0.000 0.620 129 A CB -1.078 17.241 19.000 -1.134 0.000 0.822 129 A HN 0.506 nan 8.150 nan 0.000 0.443 130 N N -0.002 118.505 118.700 -0.322 0.000 2.061 130 N HA -0.151 4.589 4.740 0.000 0.000 0.193 130 N C 1.605 176.972 175.510 -0.239 0.000 1.030 130 N CA 1.721 54.638 53.050 -0.223 0.000 0.856 130 N CB -0.353 38.041 38.487 -0.154 0.000 1.023 130 N HN 0.471 nan 8.380 nan 0.000 0.424 131 L N 0.386 121.413 121.223 -0.327 0.000 2.056 131 L HA -0.099 4.241 4.340 0.000 0.000 0.207 131 L C 2.093 178.622 176.870 -0.569 0.000 1.078 131 L CA 0.823 55.405 54.840 -0.430 0.000 0.749 131 L CB -0.432 41.298 42.059 -0.550 0.000 0.901 131 L HN 0.229 nan 8.230 nan 0.000 0.433 132 L N -0.031 120.788 121.223 -0.674 0.000 2.056 132 L HA -0.210 4.130 4.340 0.000 0.000 0.207 132 L C 2.726 179.453 176.870 -0.238 0.000 1.078 132 L CA 1.214 55.641 54.840 -0.689 0.000 0.749 132 L CB -0.488 41.043 42.059 -0.880 0.000 0.901 132 L HN 0.275 nan 8.230 nan 0.000 0.433 133 K N 0.787 121.100 120.400 -0.144 0.000 2.063 133 K HA -0.219 4.101 4.320 0.000 0.000 0.208 133 K C 2.064 178.657 176.600 -0.012 0.000 1.048 133 K CA 1.558 57.835 56.287 -0.016 0.000 0.928 133 K CB -0.118 32.357 32.500 -0.042 0.000 0.713 133 K HN 0.261 nan 8.250 nan 0.000 0.442 134 A N 0.669 123.445 122.820 -0.074 0.000 2.019 134 A HA -0.118 4.202 4.320 0.000 0.000 0.219 134 A C 1.727 179.301 177.584 -0.016 0.000 1.164 134 A CA 1.115 53.124 52.037 -0.047 0.000 0.644 134 A CB -0.191 18.766 19.000 -0.071 0.000 0.805 134 A HN 0.382 nan 8.150 nan 0.000 0.449 135 Q N -1.451 118.337 119.800 -0.021 0.000 2.360 135 Q HA 0.202 4.542 4.340 0.000 0.000 0.202 135 Q C 1.075 177.178 176.000 0.172 0.000 0.915 135 Q CA 0.734 56.576 55.803 0.065 0.000 0.943 135 Q CB 0.273 29.031 28.738 0.034 0.000 1.064 135 Q HN 0.968 nan 8.270 nan 0.000 0.511 136 G N 0.093 108.986 108.800 0.156 0.000 2.144 136 G HA2 -0.256 3.704 3.960 0.000 0.000 0.218 136 G HA3 -0.256 3.704 3.960 0.000 0.000 0.218 136 G C -0.404 174.593 174.900 0.162 0.000 0.988 136 G CA -0.442 44.737 45.100 0.131 0.000 0.659 136 G HN 0.224 nan 8.290 nan 0.000 0.522 137 Y N 1.154 121.472 120.300 0.030 0.000 2.336 137 Y HA 0.456 5.006 4.550 0.000 0.000 0.331 137 Y C 0.805 176.797 175.900 0.153 0.000 1.211 137 Y CA -0.936 57.217 58.100 0.089 0.000 1.346 137 Y CB 0.739 39.242 38.460 0.071 0.000 1.271 137 Y HN 0.075 nan 8.280 nan 0.000 0.538 138 D N 1.910 122.516 120.400 0.343 0.000 2.338 138 D HA 0.071 4.711 4.640 0.000 0.000 0.255 138 D C -0.436 176.168 176.300 0.507 0.000 1.237 138 D CA 0.156 54.404 54.000 0.414 0.000 0.883 138 D CB 0.421 41.492 40.800 0.452 0.000 1.087 138 D HN 0.619 nan 8.370 nan 0.000 0.485 139 T N 0.464 115.251 114.554 0.388 0.000 2.855 139 T HA 0.817 5.167 4.350 0.000 0.000 0.281 139 T C -0.524 174.296 174.700 0.201 0.000 1.007 139 T CA -0.922 61.359 62.100 0.301 0.000 1.009 139 T CB 1.911 70.908 68.868 0.215 0.000 0.983 139 T HN 0.313 nan 8.240 nan 0.000 0.455 140 A N 3.294 126.114 122.820 0.001 0.000 2.547 140 A HA 0.766 5.086 4.320 0.000 0.000 0.297 140 A C -0.717 176.644 177.584 -0.372 0.000 1.056 140 A CA -1.182 50.705 52.037 -0.251 0.000 0.688 140 A CB 1.626 19.957 19.000 -1.115 0.000 1.282 140 A HN 1.309 nan 8.150 nan 0.000 0.400 141 M N 0.826 120.119 119.600 -0.511 0.000 2.464 141 M HA 0.967 5.447 4.480 0.000 0.000 0.308 141 M C -1.325 174.681 176.300 -0.490 0.000 1.127 141 M CA -0.372 54.479 55.300 -0.747 0.000 0.913 141 M CB 1.603 33.395 32.600 -1.347 0.000 1.689 141 M HN 0.383 nan 8.290 nan 0.000 0.445 142 M N 3.172 122.475 119.600 -0.494 0.000 2.263 142 M HA 0.878 5.358 4.480 0.000 0.000 0.295 142 M C 0.212 176.260 176.300 -0.420 0.000 1.028 142 M CA 0.449 55.524 55.300 -0.375 0.000 0.921 142 M CB 1.755 34.159 32.600 -0.326 0.000 1.601 142 M HN 1.199 nan 8.290 nan 0.000 0.440 143 G N 1.712 110.313 108.800 -0.331 0.000 2.460 143 G HA2 -0.123 3.837 3.960 0.000 0.000 0.207 143 G HA3 -0.123 3.837 3.960 0.000 0.000 0.207 143 G C -1.045 173.504 174.900 -0.585 0.000 1.170 143 G CA -0.824 44.039 45.100 -0.395 0.000 1.151 143 G HN 0.828 nan 8.290 nan 0.000 0.575 144 K N 0.689 120.818 120.400 -0.451 0.000 2.349 144 K HA 0.496 4.816 4.320 0.000 0.000 0.288 144 K C 1.081 177.541 176.600 -0.233 0.000 1.058 144 K CA -0.190 55.871 56.287 -0.377 0.000 0.953 144 K CB 0.900 33.256 32.500 -0.240 0.000 0.997 144 K HN 0.518 nan 8.250 nan 0.000 0.477 145 L N 3.971 125.071 121.223 -0.205 0.000 2.208 145 L HA 0.106 4.446 4.340 0.000 0.000 0.196 145 L C 0.233 177.149 176.870 0.078 0.000 1.130 145 L CA 1.333 56.139 54.840 -0.056 0.000 0.791 145 L CB -0.453 41.546 42.059 -0.101 0.000 0.969 145 L HN 1.052 nan 8.230 nan 0.000 0.468 146 H N -0.944 118.073 119.070 -0.088 0.000 2.826 146 H HA -0.154 4.402 4.556 0.000 0.000 0.306 146 H C -0.037 175.297 175.328 0.010 0.000 1.235 146 H CA 0.930 56.955 56.048 -0.039 0.000 1.150 146 H CB -1.533 28.217 29.762 -0.019 0.000 1.409 146 H HN 0.375 nan 8.280 nan 0.000 0.420 147 L N -0.443 120.809 121.223 0.048 0.000 3.086 147 L HA 0.204 4.544 4.340 0.000 0.000 0.274 147 L C 0.674 177.544 176.870 0.001 0.000 1.184 147 L CA 0.298 55.142 54.840 0.006 0.000 1.002 147 L CB 0.312 42.389 42.059 0.030 0.000 1.383 147 L HN 0.424 nan 8.230 nan 0.000 0.582 148 N N -1.281 117.424 118.700 0.008 0.000 3.204 148 N HA 0.401 5.141 4.740 0.000 0.000 0.285 148 N C 0.029 175.540 175.510 0.003 0.000 1.536 148 N CA -0.200 52.848 53.050 -0.004 0.000 0.832 148 N CB 0.989 39.470 38.487 -0.010 0.000 1.645 148 N HN -0.181 nan 8.380 nan 0.000 0.586 149 A N -1.402 121.407 122.820 -0.019 0.000 2.307 149 A HA 0.648 4.968 4.320 0.000 0.000 0.218 149 A C 0.711 178.279 177.584 -0.026 0.000 1.228 149 A CA 0.591 52.615 52.037 -0.023 0.000 0.857 149 A CB -1.359 17.609 19.000 -0.053 0.000 0.897 149 A HN 1.361 nan 8.150 nan 0.000 0.495 150 G N -3.001 105.781 108.800 -0.030 0.000 2.318 150 G HA2 0.381 4.341 3.960 0.000 0.000 0.302 150 G HA3 0.381 4.341 3.960 0.000 0.000 0.302 150 G C 0.476 175.350 174.900 -0.043 0.000 1.633 150 G CA -0.135 44.939 45.100 -0.044 0.000 0.965 150 G HN 0.769 nan 8.290 nan 0.000 0.698 151 G N -0.191 108.577 108.800 -0.054 0.000 2.559 151 G HA2 0.120 4.080 3.960 0.000 0.000 0.216 151 G HA3 0.120 4.080 3.960 0.000 0.000 0.216 151 G C 1.053 175.933 174.900 -0.033 0.000 1.126 151 G CA 1.631 46.702 45.100 -0.048 0.000 0.778 151 G HN 0.967 nan 8.290 nan 0.000 0.543 152 D N -0.350 120.032 120.400 -0.030 0.000 2.339 152 D HA 0.011 4.651 4.640 0.000 0.000 0.217 152 D C 0.692 176.979 176.300 -0.021 0.000 1.050 152 D CA -0.273 53.714 54.000 -0.022 0.000 0.856 152 D CB 0.014 40.803 40.800 -0.019 0.000 0.922 152 D HN -0.034 nan 8.370 nan 0.000 0.518 153 R N 1.424 121.910 120.500 -0.024 0.000 2.272 153 R HA 0.152 4.492 4.340 0.000 0.000 0.334 153 R C 1.039 177.327 176.300 -0.018 0.000 1.117 153 R CA 0.146 56.232 56.100 -0.023 0.000 0.966 153 R CB 0.189 30.473 30.300 -0.027 0.000 1.049 153 R HN 0.218 nan 8.270 nan 0.000 0.477 154 T N -2.326 112.219 114.554 -0.016 0.000 3.055 154 T HA -0.116 4.234 4.350 0.000 0.000 0.265 154 T C 0.995 175.687 174.700 -0.012 0.000 1.111 154 T CA 0.845 62.938 62.100 -0.012 0.000 1.118 154 T CB 0.045 68.907 68.868 -0.010 0.000 0.909 154 T HN 0.461 nan 8.240 nan 0.000 0.501 155 D N 0.424 120.815 120.400 -0.015 0.000 2.340 155 D HA 0.017 4.657 4.640 0.000 0.000 0.220 155 D C 0.567 176.858 176.300 -0.016 0.000 1.039 155 D CA 0.000 53.991 54.000 -0.015 0.000 0.866 155 D CB -0.030 40.759 40.800 -0.017 0.000 0.913 155 D HN 0.472 nan 8.370 nan 0.000 0.523 156 Q N 0.387 120.178 119.800 -0.016 0.000 2.394 156 Q HA 0.429 4.769 4.340 0.000 0.000 0.273 156 Q C -2.741 173.253 176.000 -0.010 0.000 1.089 156 Q CA -2.279 53.514 55.803 -0.016 0.000 0.812 156 Q CB 2.494 31.219 28.738 -0.021 0.000 1.353 156 Q HN -0.075 nan 8.270 nan 0.000 0.438 157 P HA -0.050 nan 4.420 nan 0.000 0.264 157 P C -0.786 176.517 177.300 0.004 0.000 1.193 157 P CA 0.300 63.400 63.100 0.000 0.000 0.763 157 P CB 0.627 32.328 31.700 0.002 0.000 0.810 158 Q N 1.547 121.353 119.800 0.009 0.000 2.385 158 Q HA 0.472 4.812 4.340 0.000 0.000 0.262 158 Q C 1.487 177.512 176.000 0.042 0.000 1.050 158 Q CA -0.826 54.984 55.803 0.011 0.000 0.903 158 Q CB 0.537 29.274 28.738 -0.002 0.000 1.325 158 Q HN 0.346 nan 8.270 nan 0.000 0.485 159 A N 0.331 123.181 122.820 0.049 0.000 1.927 159 A HA -0.303 4.018 4.320 0.000 0.000 0.220 159 A C 1.907 179.605 177.584 0.190 0.000 1.185 159 A CA 2.535 54.654 52.037 0.137 0.000 0.639 159 A CB -0.488 18.540 19.000 0.047 0.000 0.820 159 A HN 0.750 nan 8.150 nan 0.000 0.451 160 Q N -0.736 119.123 119.800 0.098 0.000 2.119 160 Q HA -0.181 4.159 4.340 0.000 0.000 0.201 160 Q C 1.296 177.318 176.000 0.036 0.000 0.972 160 Q CA 1.502 57.351 55.803 0.076 0.000 0.847 160 Q CB -0.114 28.653 28.738 0.049 0.000 0.903 160 Q HN 0.671 nan 8.270 nan 0.000 0.433 161 D N 0.265 120.682 120.400 0.027 0.000 2.144 161 D HA -0.180 4.460 4.640 0.000 0.000 0.199 161 D C 1.572 177.867 176.300 -0.008 0.000 0.984 161 D CA 1.241 55.245 54.000 0.006 0.000 0.834 161 D CB -0.121 40.683 40.800 0.007 0.000 0.955 161 D HN 0.425 nan 8.370 nan 0.000 0.465 162 M N -0.627 118.983 119.600 0.016 0.000 2.659 162 M HA 0.086 4.566 4.480 0.000 0.000 0.243 162 M C 1.144 177.341 176.300 -0.172 0.000 1.111 162 M CA 0.766 56.059 55.300 -0.012 0.000 1.070 162 M CB 0.499 33.164 32.600 0.109 0.000 1.525 162 M HN 0.160 nan 8.290 nan 0.000 0.517 163 G N 0.115 108.819 108.800 -0.159 0.000 2.184 163 G HA2 -0.211 3.749 3.960 0.000 0.000 0.206 163 G HA3 -0.211 3.749 3.960 0.000 0.000 0.206 163 G C -0.259 174.444 174.900 -0.329 0.000 0.995 163 G CA -0.754 44.186 45.100 -0.267 0.000 0.651 163 G HN 0.339 nan 8.290 nan 0.000 0.511 164 F N 2.069 122.028 119.950 0.015 0.000 2.350 164 F HA 0.450 4.977 4.527 0.000 0.000 0.365 164 F C 0.983 176.799 175.800 0.026 0.000 1.122 164 F CA -1.067 56.937 58.000 0.007 0.000 1.139 164 F CB 1.251 40.225 39.000 -0.043 0.000 1.220 164 F HN -0.104 nan 8.300 nan 0.000 0.499 165 D N 1.745 122.279 120.400 0.224 0.000 2.347 165 D HA -0.118 4.522 4.640 0.000 0.000 0.215 165 D C -0.296 176.160 176.300 0.261 0.000 0.976 165 D CA 1.079 55.201 54.000 0.202 0.000 0.884 165 D CB 0.067 40.985 40.800 0.196 0.000 0.915 165 D HN 0.440 nan 8.370 nan 0.000 0.526 166 Y N 0.371 120.745 120.300 0.122 0.000 2.477 166 Y HA 0.384 4.934 4.550 0.000 0.000 0.347 166 Y C -0.989 174.874 175.900 -0.061 0.000 0.981 166 Y CA -0.920 57.214 58.100 0.057 0.000 1.033 166 Y CB 1.703 40.224 38.460 0.100 0.000 1.245 166 Y HN -0.201 nan 8.280 nan 0.000 0.455 167 S N 5.671 121.099 115.700 -0.453 0.000 2.543 167 S HA 0.565 5.036 4.470 0.000 0.000 0.271 167 S C -2.250 172.100 174.600 -0.416 0.000 1.148 167 S CA -0.862 57.137 58.200 -0.336 0.000 0.914 167 S CB 1.679 64.746 63.200 -0.221 0.000 1.096 167 S HN 0.785 nan 8.310 nan 0.000 0.471 168 L N 2.917 123.995 121.223 -0.242 0.000 2.318 168 L HA 0.884 5.224 4.340 0.000 0.000 0.277 168 L C -0.445 176.351 176.870 -0.122 0.000 1.008 168 L CA -0.170 54.590 54.840 -0.133 0.000 0.846 168 L CB 0.830 42.842 42.059 -0.079 0.000 1.220 168 L HN 1.105 nan 8.230 nan 0.000 0.423 169 A N 3.800 126.534 122.820 -0.143 0.000 2.356 169 A HA 0.639 4.959 4.320 0.000 0.000 0.310 169 A C -1.027 176.242 177.584 -0.525 0.000 1.075 169 A CA -0.693 51.145 52.037 -0.331 0.000 0.746 169 A CB 1.013 19.855 19.000 -0.264 0.000 1.221 169 A HN 0.616 nan 8.150 nan 0.000 0.443 170 N N 1.557 119.650 118.700 -1.011 0.000 2.439 170 N HA 0.234 4.974 4.740 0.000 0.000 0.249 170 N C 1.243 176.401 175.510 -0.586 0.000 1.003 170 N CA 0.450 52.839 53.050 -1.100 0.000 0.942 170 N CB 1.242 38.737 38.487 -1.652 0.000 1.115 170 N HN 0.644 nan 8.380 nan 0.000 0.505 171 T N 0.313 114.635 114.554 -0.386 0.000 2.995 171 T HA 0.168 4.519 4.350 0.000 0.000 0.269 171 T C 0.912 175.482 174.700 -0.217 0.000 1.091 171 T CA 0.317 62.279 62.100 -0.230 0.000 1.128 171 T CB -0.035 68.746 68.868 -0.145 0.000 0.891 171 T HN 0.432 nan 8.240 nan 0.000 0.492 172 A N 0.629 123.234 122.820 -0.358 0.000 2.272 172 A HA 0.688 5.008 4.320 0.000 0.000 0.275 172 A C 1.725 178.899 177.584 -0.683 0.000 1.096 172 A CA -0.168 51.594 52.037 -0.458 0.000 0.822 172 A CB 0.042 18.682 19.000 -0.600 0.000 1.088 172 A HN 0.343 nan 8.150 nan 0.000 0.495 173 G N -1.377 106.890 108.800 -0.888 0.000 2.813 173 G HA2 0.384 4.344 3.960 0.000 0.000 0.209 173 G HA3 0.384 4.344 3.960 0.000 0.000 0.209 173 G C 0.066 174.625 174.900 -0.569 0.000 1.150 173 G CA 0.905 45.353 45.100 -1.087 0.000 0.785 173 G HN 0.930 nan 8.290 nan 0.000 0.535 174 F N -2.808 116.834 119.950 -0.513 0.000 2.686 174 F HA 0.672 5.199 4.527 0.000 0.000 0.311 174 F C -0.887 174.820 175.800 -0.156 0.000 1.128 174 F CA -1.806 55.947 58.000 -0.411 0.000 0.946 174 F CB 1.087 39.915 39.000 -0.286 0.000 1.336 174 F HN -0.212 nan 8.300 nan 0.000 0.457 175 V N 1.555 121.534 119.914 0.109 0.000 2.555 175 V HA 0.365 4.485 4.120 0.000 0.000 0.286 175 V C -0.030 176.207 176.094 0.238 0.000 1.044 175 V CA 0.115 62.527 62.300 0.186 0.000 1.026 175 V CB 1.070 33.046 31.823 0.255 0.000 0.981 175 V HN 0.875 nan 8.190 nan 0.000 0.480 176 T N 3.933 118.590 114.554 0.171 0.000 2.794 176 T HA 0.267 4.617 4.350 0.000 0.000 0.280 176 T C -0.507 174.299 174.700 0.177 0.000 0.987 176 T CA -0.322 61.903 62.100 0.209 0.000 0.993 176 T CB 1.060 69.990 68.868 0.104 0.000 0.939 176 T HN 0.736 nan 8.240 nan 0.000 0.449 177 D N 2.176 122.684 120.400 0.181 0.000 2.460 177 D HA 0.456 5.097 4.640 0.000 0.000 0.232 177 D C 0.982 177.308 176.300 0.043 0.000 1.079 177 D CA -0.694 53.360 54.000 0.090 0.000 0.864 177 D CB 1.328 42.175 40.800 0.080 0.000 1.048 177 D HN 0.518 nan 8.370 nan 0.000 0.523 178 A N 2.863 125.702 122.820 0.031 0.000 1.972 178 A HA -0.180 4.140 4.320 0.000 0.000 0.219 178 A C 2.071 179.633 177.584 -0.037 0.000 1.169 178 A CA 2.237 54.281 52.037 0.010 0.000 0.635 178 A CB -0.742 18.267 19.000 0.015 0.000 0.810 178 A HN 0.651 nan 8.150 nan 0.000 0.446 179 T N -1.602 112.921 114.554 -0.052 0.000 2.788 179 T HA -0.086 4.264 4.350 0.000 0.000 0.268 179 T C 1.792 176.408 174.700 -0.139 0.000 1.044 179 T CA 1.530 63.586 62.100 -0.074 0.000 1.139 179 T CB -0.506 68.327 68.868 -0.059 0.000 0.867 179 T HN 0.299 nan 8.240 nan 0.000 0.454 180 L N 0.759 121.838 121.223 -0.240 0.000 2.044 180 L HA 0.039 4.379 4.340 0.000 0.000 0.205 180 L C 2.765 179.324 176.870 -0.518 0.000 1.075 180 L CA 1.392 55.909 54.840 -0.538 0.000 0.747 180 L CB -0.559 40.896 42.059 -1.008 0.000 0.903 180 L HN 0.138 nan 8.230 nan 0.000 0.435 181 D N 0.441 120.670 120.400 -0.285 0.000 2.104 181 D HA -0.188 4.452 4.640 0.000 0.000 0.194 181 D C 1.644 177.922 176.300 -0.037 0.000 0.994 181 D CA 1.481 55.447 54.000 -0.056 0.000 0.830 181 D CB -0.329 40.510 40.800 0.064 0.000 0.959 181 D HN 0.387 nan 8.370 nan 0.000 0.452 182 N N -0.193 118.478 118.700 -0.048 0.000 2.398 182 N HA 0.188 4.928 4.740 0.000 0.000 0.188 182 N C 0.031 175.521 175.510 -0.033 0.000 1.122 182 N CA -0.088 52.947 53.050 -0.025 0.000 0.866 182 N CB 0.421 38.898 38.487 -0.016 0.000 0.970 182 N HN 0.026 nan 8.380 nan 0.000 0.462 183 A N 1.122 123.905 122.820 -0.062 0.000 2.520 183 A HA 0.034 4.354 4.320 0.000 0.000 0.245 183 A C 1.022 178.596 177.584 -0.015 0.000 1.072 183 A CA 0.129 52.139 52.037 -0.046 0.000 0.761 183 A CB 0.398 19.353 19.000 -0.075 0.000 1.004 183 A HN 0.224 nan 8.150 nan 0.000 0.499 184 K N 0.867 121.267 120.400 0.000 0.000 2.186 184 K HA -0.039 4.281 4.320 0.000 0.000 0.202 184 K C 0.902 177.518 176.600 0.026 0.000 1.052 184 K CA 0.796 57.091 56.287 0.013 0.000 0.965 184 K CB 0.058 32.565 32.500 0.013 0.000 0.746 184 K HN 0.933 nan 8.250 nan 0.000 0.457 185 E N 1.941 122.162 120.200 0.034 0.000 2.392 185 E HA 0.049 4.399 4.350 0.000 0.000 0.259 185 E C -0.429 176.213 176.600 0.070 0.000 1.108 185 E CA 0.068 56.502 56.400 0.056 0.000 0.916 185 E CB 0.786 30.528 29.700 0.070 0.000 0.989 185 E HN -0.151 nan 8.360 nan 0.000 0.432 186 R N 2.355 122.906 120.500 0.084 0.000 2.538 186 R HA 0.441 4.781 4.340 0.000 0.000 0.292 186 R C -2.180 174.198 176.300 0.129 0.000 1.008 186 R CA -1.714 54.442 56.100 0.094 0.000 0.896 186 R CB 1.109 31.452 30.300 0.072 0.000 1.187 186 R HN 0.605 nan 8.270 nan 0.000 0.440 187 P HA 0.481 nan 4.420 nan 0.000 0.282 187 P C -0.732 176.630 177.300 0.103 0.000 1.259 187 P CA -0.819 62.345 63.100 0.106 0.000 0.826 187 P CB 1.162 32.896 31.700 0.057 0.000 1.064 188 R N 0.915 121.425 120.500 0.016 0.000 2.297 188 R HA 0.452 4.792 4.340 0.000 0.000 0.308 188 R C -0.702 175.552 176.300 -0.078 0.000 1.029 188 R CA -0.246 55.880 56.100 0.045 0.000 0.929 188 R CB 0.530 30.841 30.300 0.018 0.000 1.046 188 R HN 0.482 nan 8.270 nan 0.000 0.461 189 Y N 0.464 120.844 120.300 0.133 0.000 2.393 189 Y HA 0.648 5.198 4.550 0.000 0.000 0.341 189 Y C 0.677 176.645 175.900 0.112 0.000 0.988 189 Y CA -0.492 57.699 58.100 0.151 0.000 1.078 189 Y CB 2.784 41.319 38.460 0.125 0.000 1.203 189 Y HN 0.808 nan 8.280 nan 0.000 0.453 190 G N 2.874 111.835 108.800 0.267 0.000 2.301 190 G HA2 0.220 4.180 3.960 0.000 0.000 0.290 190 G HA3 0.220 4.180 3.960 0.000 0.000 0.290 190 G C -1.573 173.447 174.900 0.200 0.000 1.669 190 G CA -1.272 43.949 45.100 0.201 0.000 0.945 190 G HN 0.222 nan 8.290 nan 0.000 0.710 191 M N 0.818 120.528 119.600 0.184 0.000 2.241 191 M HA 0.344 4.824 4.480 0.000 0.000 0.335 191 M C 0.774 177.095 176.300 0.035 0.000 1.122 191 M CA -0.684 54.667 55.300 0.085 0.000 1.164 191 M CB 1.113 33.702 32.600 -0.019 0.000 1.459 191 M HN 0.304 nan 8.290 nan 0.000 0.461 192 V N 3.726 123.604 119.914 -0.060 0.000 2.455 192 V HA 0.108 4.228 4.120 0.000 0.000 0.273 192 V C -0.822 175.115 176.094 -0.262 0.000 1.045 192 V CA -0.141 62.140 62.300 -0.031 0.000 0.976 192 V CB -0.492 31.356 31.823 0.042 0.000 0.993 192 V HN 0.573 nan 8.190 nan 0.000 0.475 193 Y N 5.719 125.995 120.300 -0.041 0.000 2.331 193 Y HA 0.419 4.969 4.550 0.000 0.000 0.334 193 Y C -2.193 173.589 175.900 -0.196 0.000 0.960 193 Y CA -2.943 55.074 58.100 -0.137 0.000 1.130 193 Y CB 1.939 40.304 38.460 -0.157 0.000 1.164 193 Y HN 0.493 nan 8.280 nan 0.000 0.458 194 P HA -0.016 nan 4.420 nan 0.000 0.260 194 P C -0.280 176.843 177.300 -0.296 0.000 1.185 194 P CA 0.333 63.243 63.100 -0.317 0.000 0.763 194 P CB 0.338 31.493 31.700 -0.907 0.000 0.776 195 T N -0.410 114.119 114.554 -0.042 0.000 2.918 195 T HA 0.609 4.959 4.350 0.000 0.000 0.286 195 T C 0.937 175.752 174.700 0.191 0.000 1.026 195 T CA -0.135 61.977 62.100 0.020 0.000 1.031 195 T CB 1.670 70.552 68.868 0.023 0.000 1.046 195 T HN 0.625 nan 8.240 nan 0.000 0.479 196 G N -0.019 108.885 108.800 0.175 0.000 2.176 196 G HA2 -0.190 3.770 3.960 0.000 0.000 0.253 196 G HA3 -0.190 3.770 3.960 0.000 0.000 0.253 196 G C -0.137 174.928 174.900 0.277 0.000 0.979 196 G CA -0.246 44.965 45.100 0.185 0.000 0.641 196 G HN 0.735 nan 8.290 nan 0.000 0.530 197 W N 0.169 121.481 121.300 0.021 0.000 2.161 197 W HA 0.706 5.367 4.660 0.000 0.000 0.344 197 W C 0.732 177.252 176.519 0.001 0.000 1.262 197 W CA -0.650 56.708 57.345 0.022 0.000 1.270 197 W CB 0.262 29.790 29.460 0.113 0.000 1.126 197 W HN 0.099 nan 8.180 nan 0.000 0.598 198 L N 2.353 123.675 121.223 0.165 0.000 2.356 198 L HA 0.488 4.828 4.340 0.000 0.000 0.277 198 L C 0.126 176.997 176.870 0.002 0.000 0.996 198 L CA -1.090 53.783 54.840 0.056 0.000 0.822 198 L CB 1.728 43.781 42.059 -0.010 0.000 1.256 198 L HN 0.287 nan 8.230 nan 0.000 0.413 199 R N 4.008 124.497 120.500 -0.019 0.000 2.215 199 R HA 0.248 4.588 4.340 0.000 0.000 0.336 199 R C -0.244 175.957 176.300 -0.165 0.000 0.996 199 R CA -0.339 55.688 56.100 -0.121 0.000 0.847 199 R CB 0.345 30.600 30.300 -0.075 0.000 1.127 199 R HN 0.715 nan 8.270 nan 0.000 0.465 200 N N 3.481 122.026 118.700 -0.259 0.000 2.716 200 N HA -0.224 4.516 4.740 0.000 0.000 0.250 200 N C 0.555 176.010 175.510 -0.092 0.000 1.033 200 N CA 1.474 54.409 53.050 -0.191 0.000 0.727 200 N CB -0.991 37.381 38.487 -0.192 0.000 0.950 200 N HN 1.089 nan 8.380 nan 0.000 0.541 201 G N -1.656 107.098 108.800 -0.077 0.000 2.179 201 G HA2 -0.319 3.641 3.960 0.000 0.000 0.260 201 G HA3 -0.319 3.641 3.960 0.000 0.000 0.260 201 G C -0.157 174.727 174.900 -0.026 0.000 0.977 201 G CA 0.434 45.508 45.100 -0.044 0.000 0.641 201 G HN 0.433 nan 8.290 nan 0.000 0.533 202 Q N 0.482 120.268 119.800 -0.024 0.000 2.274 202 Q HA 0.483 4.824 4.340 0.000 0.000 0.260 202 Q C -2.528 173.480 176.000 0.013 0.000 0.974 202 Q CA -2.039 53.761 55.803 -0.005 0.000 0.876 202 Q CB 1.750 30.485 28.738 -0.004 0.000 1.297 202 Q HN 0.163 nan 8.270 nan 0.000 0.446 203 P HA -0.012 nan 4.420 nan 0.000 0.266 203 P C -0.389 176.942 177.300 0.051 0.000 1.195 203 P CA 0.325 63.448 63.100 0.040 0.000 0.768 203 P CB 0.466 32.183 31.700 0.028 0.000 0.838 204 T N 0.631 115.233 114.554 0.080 0.000 2.918 204 T HA 0.680 5.030 4.350 0.000 0.000 0.286 204 T C -2.266 172.466 174.700 0.054 0.000 1.026 204 T CA -2.040 60.113 62.100 0.089 0.000 1.031 204 T CB 0.688 69.656 68.868 0.167 0.000 1.046 204 T HN 0.175 nan 8.240 nan 0.000 0.479 205 P HA 0.260 nan 4.420 nan 0.000 0.274 205 P C -0.240 177.020 177.300 -0.067 0.000 1.256 205 P CA -0.819 62.273 63.100 -0.014 0.000 0.795 205 P CB 0.636 32.324 31.700 -0.021 0.000 1.038 206 R N 0.559 121.000 120.500 -0.098 0.000 2.537 206 R HA 0.246 4.586 4.340 0.000 0.000 0.281 206 R C 0.088 176.232 176.300 -0.260 0.000 0.988 206 R CA -0.177 55.824 56.100 -0.166 0.000 1.077 206 R CB -0.161 30.064 30.300 -0.126 0.000 0.932 206 R HN 0.605 nan 8.270 nan 0.000 0.409 207 A N 3.588 126.135 122.820 -0.455 0.000 2.445 207 A HA 0.006 4.326 4.320 0.000 0.000 0.242 207 A C 0.196 177.596 177.584 -0.307 0.000 1.075 207 A CA -0.017 51.649 52.037 -0.619 0.000 0.777 207 A CB 0.254 18.446 19.000 -1.347 0.000 1.013 207 A HN 0.909 nan 8.150 nan 0.000 0.493 208 D N -0.019 120.254 120.400 -0.212 0.000 2.349 208 D HA 0.161 4.801 4.640 0.000 0.000 0.214 208 D C 0.061 176.376 176.300 0.025 0.000 1.063 208 D CA 0.484 54.383 54.000 -0.168 0.000 0.847 208 D CB 0.067 40.801 40.800 -0.109 0.000 0.933 208 D HN 0.451 nan 8.370 nan 0.000 0.513 209 K N -0.087 120.387 120.400 0.124 0.000 2.375 209 K HA 0.457 4.777 4.320 0.000 0.000 0.249 209 K C -0.242 176.466 176.600 0.180 0.000 0.942 209 K CA -0.798 55.632 56.287 0.237 0.000 0.806 209 K CB 2.567 35.180 32.500 0.188 0.000 1.227 209 K HN -0.091 nan 8.250 nan 0.000 0.430 210 M N 0.820 120.456 119.600 0.060 0.000 2.207 210 M HA -0.025 4.455 4.480 0.000 0.000 0.311 210 M C 1.801 178.160 176.300 0.098 0.000 1.127 210 M CA 0.373 55.601 55.300 -0.120 0.000 1.181 210 M CB 0.740 33.231 32.600 -0.182 0.000 1.409 210 M HN 0.783 nan 8.290 nan 0.000 0.461 211 S N 1.533 117.280 115.700 0.078 0.000 2.372 211 S HA -0.182 4.288 4.470 0.000 0.000 0.227 211 S C 1.691 176.421 174.600 0.216 0.000 1.044 211 S CA 2.242 60.530 58.200 0.146 0.000 1.050 211 S CB -0.641 62.695 63.200 0.227 0.000 0.901 211 S HN 0.940 nan 8.310 nan 0.000 0.447 212 G N -0.010 108.865 108.800 0.124 0.000 2.408 212 G HA2 -0.131 3.830 3.960 0.000 0.000 0.217 212 G HA3 -0.131 3.830 3.960 0.000 0.000 0.217 212 G C 1.365 176.292 174.900 0.045 0.000 1.150 212 G CA 0.774 45.849 45.100 -0.041 0.000 0.776 212 G HN 0.619 nan 8.290 nan 0.000 0.542 213 E N -0.915 119.355 120.200 0.117 0.000 2.107 213 E HA -0.077 4.273 4.350 0.000 0.000 0.191 213 E C 2.059 178.781 176.600 0.203 0.000 0.982 213 E CA 0.347 56.856 56.400 0.182 0.000 0.809 213 E CB -0.192 29.668 29.700 0.267 0.000 0.756 213 E HN 0.435 nan 8.360 nan 0.000 0.459 214 Y N 1.014 121.332 120.300 0.031 0.000 2.165 214 Y HA -0.249 4.301 4.550 0.000 0.000 0.286 214 Y C 1.979 177.870 175.900 -0.015 0.000 1.155 214 Y CA 0.966 59.034 58.100 -0.052 0.000 1.164 214 Y CB -0.384 37.934 38.460 -0.237 0.000 0.978 214 Y HN -0.151 nan 8.280 nan 0.000 0.513 215 V N -0.321 119.620 119.914 0.045 0.000 2.283 215 V HA -0.250 3.870 4.120 0.000 0.000 0.243 215 V C 2.583 178.654 176.094 -0.038 0.000 1.039 215 V CA 1.993 64.265 62.300 -0.047 0.000 1.016 215 V CB -1.139 30.655 31.823 -0.048 0.000 0.650 215 V HN 0.561 nan 8.190 nan 0.000 0.449 216 S N 1.405 117.175 115.700 0.117 0.000 2.382 216 S HA -0.218 4.252 4.470 0.000 0.000 0.228 216 S C 2.132 176.770 174.600 0.063 0.000 1.027 216 S CA 1.763 60.038 58.200 0.126 0.000 0.991 216 S CB -0.819 62.498 63.200 0.196 0.000 0.823 216 S HN 0.718 nan 8.310 nan 0.000 0.469 217 S N 1.897 117.637 115.700 0.067 0.000 2.382 217 S HA -0.113 4.357 4.470 0.000 0.000 0.228 217 S C 1.859 176.476 174.600 0.029 0.000 1.027 217 S CA 1.181 59.416 58.200 0.059 0.000 0.991 217 S CB -0.690 62.562 63.200 0.086 0.000 0.823 217 S HN 0.561 nan 8.310 nan 0.000 0.469 218 E N 1.272 121.465 120.200 -0.012 0.000 2.110 218 E HA -0.070 4.280 4.350 0.000 0.000 0.193 218 E C 1.849 178.444 176.600 -0.008 0.000 0.988 218 E CA 1.222 57.611 56.400 -0.018 0.000 0.804 218 E CB -0.427 29.219 29.700 -0.090 0.000 0.745 218 E HN 0.429 nan 8.360 nan 0.000 0.458 219 V N -0.491 119.395 119.914 -0.046 0.000 2.307 219 V HA -0.217 3.903 4.120 0.000 0.000 0.245 219 V C 2.322 178.434 176.094 0.030 0.000 1.045 219 V CA 1.486 63.756 62.300 -0.050 0.000 1.024 219 V CB -0.472 31.296 31.823 -0.091 0.000 0.651 219 V HN 0.172 nan 8.190 nan 0.000 0.449 220 V N 0.873 120.804 119.914 0.027 0.000 2.295 220 V HA -0.251 3.869 4.120 0.000 0.000 0.246 220 V C 2.374 178.477 176.094 0.016 0.000 1.049 220 V CA 2.258 64.575 62.300 0.027 0.000 1.024 220 V CB -0.883 30.961 31.823 0.035 0.000 0.648 220 V HN 0.563 nan 8.190 nan 0.000 0.447 221 N N -1.184 117.531 118.700 0.024 0.000 2.166 221 N HA -0.209 4.531 4.740 0.000 0.000 0.186 221 N C 1.410 176.908 175.510 -0.021 0.000 1.019 221 N CA 1.605 54.659 53.050 0.006 0.000 0.856 221 N CB -0.488 38.014 38.487 0.026 0.000 0.993 221 N HN 0.715 nan 8.380 nan 0.000 0.426 222 W N 1.680 122.851 121.300 -0.215 0.000 2.358 222 W HA 0.021 4.681 4.660 0.000 0.000 0.303 222 W C 1.807 178.153 176.519 -0.289 0.000 1.208 222 W CA 0.869 58.014 57.345 -0.333 0.000 1.274 222 W CB -0.319 28.860 29.460 -0.468 0.000 1.138 222 W HN -0.025 nan 8.180 nan 0.000 0.515 223 L N 0.245 121.447 121.223 -0.035 0.000 2.191 223 L HA -0.211 4.129 4.340 0.000 0.000 0.212 223 L C 2.044 178.759 176.870 -0.259 0.000 1.103 223 L CA 1.337 56.048 54.840 -0.214 0.000 0.769 223 L CB -0.716 41.277 42.059 -0.111 0.000 0.908 223 L HN -0.062 nan 8.230 nan 0.000 0.438 224 D N -0.106 120.183 120.400 -0.184 0.000 2.149 224 D HA -0.115 4.525 4.640 0.000 0.000 0.201 224 D C 1.689 177.866 176.300 -0.205 0.000 0.972 224 D CA 0.903 54.811 54.000 -0.153 0.000 0.835 224 D CB -0.105 40.641 40.800 -0.090 0.000 0.966 224 D HN 0.321 nan 8.370 nan 0.000 0.476 225 N N 0.926 119.451 118.700 -0.291 0.000 2.494 225 N HA -0.072 4.668 4.740 0.000 0.000 0.182 225 N C 0.703 175.972 175.510 -0.403 0.000 1.076 225 N CA 0.298 53.159 53.050 -0.315 0.000 0.908 225 N CB 0.146 38.437 38.487 -0.327 0.000 0.967 225 N HN 0.285 nan 8.380 nan 0.000 0.449 226 K N 1.832 121.911 120.400 -0.537 0.000 2.249 226 K HA 0.094 4.414 4.320 0.000 0.000 0.280 226 K C 0.892 177.333 176.600 -0.265 0.000 1.033 226 K CA -0.224 55.772 56.287 -0.485 0.000 0.946 226 K CB 0.644 32.721 32.500 -0.705 0.000 1.005 226 K HN -0.101 nan 8.250 nan 0.000 0.469 227 K N 1.810 122.102 120.400 -0.180 0.000 2.567 227 K HA 0.060 4.380 4.320 0.000 0.000 0.218 227 K C -0.695 175.867 176.600 -0.063 0.000 1.440 227 K CA 0.035 56.258 56.287 -0.106 0.000 0.995 227 K CB 0.043 32.487 32.500 -0.092 0.000 1.186 227 K HN 0.753 nan 8.250 nan 0.000 0.593 228 D N 1.396 121.759 120.400 -0.062 0.000 2.466 228 D HA 0.126 4.766 4.640 0.000 0.000 0.262 228 D C 0.689 176.987 176.300 -0.004 0.000 1.177 228 D CA -0.458 53.524 54.000 -0.030 0.000 1.035 228 D CB 1.056 41.837 40.800 -0.032 0.000 1.105 228 D HN -0.009 nan 8.370 nan 0.000 0.551 229 S N -1.934 113.765 115.700 -0.002 0.000 2.605 229 S HA 0.013 4.483 4.470 0.000 0.000 0.217 229 S C 0.615 175.208 174.600 -0.012 0.000 0.958 229 S CA -0.460 57.742 58.200 0.004 0.000 0.919 229 S CB -0.386 62.813 63.200 -0.001 0.000 0.780 229 S HN 0.356 nan 8.310 nan 0.000 0.507 230 K N 2.975 123.369 120.400 -0.011 0.000 2.412 230 K HA 0.241 4.561 4.320 0.000 0.000 0.281 230 K C -2.678 173.894 176.600 -0.046 0.000 1.027 230 K CA -1.895 54.368 56.287 -0.039 0.000 0.989 230 K CB 0.380 32.878 32.500 -0.004 0.000 0.935 230 K HN 0.158 nan 8.250 nan 0.000 0.475 231 P HA 0.082 nan 4.420 nan 0.000 0.274 231 P C -1.002 176.218 177.300 -0.133 0.000 1.237 231 P CA -0.144 62.721 63.100 -0.392 0.000 0.793 231 P CB 0.336 31.445 31.700 -0.984 0.000 0.977 232 F N -0.454 119.567 119.950 0.118 0.000 2.546 232 F HA 0.711 5.238 4.527 0.000 0.000 0.320 232 F C -1.289 174.835 175.800 0.541 0.000 1.076 232 F CA -1.567 56.659 58.000 0.377 0.000 0.928 232 F CB 1.348 40.624 39.000 0.460 0.000 1.189 232 F HN 0.182 nan 8.300 nan 0.000 0.465 233 F N 4.420 124.688 119.950 0.531 0.000 2.427 233 F HA 0.688 5.216 4.527 0.000 0.000 0.348 233 F C -1.785 174.194 175.800 0.299 0.000 1.125 233 F CA -0.963 57.234 58.000 0.329 0.000 0.989 233 F CB 1.054 40.139 39.000 0.142 0.000 1.165 233 F HN 0.493 nan 8.300 nan 0.000 0.442 234 L N 6.994 128.240 121.223 0.039 0.000 2.296 234 L HA 0.310 4.650 4.340 0.000 0.000 0.286 234 L C -1.365 175.231 176.870 -0.457 0.000 1.023 234 L CA -1.090 53.569 54.840 -0.302 0.000 0.812 234 L CB 1.487 43.490 42.059 -0.094 0.000 1.223 234 L HN 0.593 nan 8.230 nan 0.000 0.421 235 Y N 4.239 124.093 120.300 -0.742 0.000 2.478 235 Y HA 0.464 5.014 4.550 0.000 0.000 0.329 235 Y C -0.726 174.893 175.900 -0.470 0.000 0.967 235 Y CA -0.994 56.781 58.100 -0.542 0.000 1.255 235 Y CB 1.100 39.221 38.460 -0.564 0.000 1.103 235 Y HN 0.200 nan 8.280 nan 0.000 0.497 236 V N 6.363 125.914 119.914 -0.605 0.000 2.304 236 V HA 0.542 4.662 4.120 0.000 0.000 0.269 236 V C 0.182 175.763 176.094 -0.854 0.000 1.036 236 V CA -0.444 61.431 62.300 -0.708 0.000 0.840 236 V CB 0.531 32.029 31.823 -0.543 0.000 1.036 236 V HN 0.898 nan 8.190 nan 0.000 0.466 237 A N 5.831 128.103 122.820 -0.913 0.000 2.838 237 A HA 0.670 4.990 4.320 0.000 0.000 0.337 237 A C -0.240 177.094 177.584 -0.415 0.000 1.383 237 A CA -0.414 51.204 52.037 -0.698 0.000 0.985 237 A CB -0.328 18.218 19.000 -0.757 0.000 1.157 237 A HN 0.602 nan 8.150 nan 0.000 0.497 238 F N 0.845 120.689 119.950 -0.177 0.000 2.553 238 F HA 0.119 4.646 4.527 0.000 0.000 0.356 238 F C 2.155 177.930 175.800 -0.042 0.000 1.142 238 F CA 1.121 59.073 58.000 -0.080 0.000 1.322 238 F CB 1.041 40.002 39.000 -0.064 0.000 1.126 238 F HN 0.602 nan 8.300 nan 0.000 0.599 239 T N -1.884 112.809 114.554 0.233 0.000 3.067 239 T HA 0.063 4.414 4.350 0.000 0.000 0.257 239 T C 0.363 175.171 174.700 0.181 0.000 1.105 239 T CA -0.020 62.177 62.100 0.163 0.000 1.104 239 T CB -0.301 68.679 68.868 0.186 0.000 0.925 239 T HN 0.379 nan 8.240 nan 0.000 0.498 240 E N 1.874 122.165 120.200 0.151 0.000 2.360 240 E HA 0.313 4.663 4.350 0.000 0.000 0.269 240 E C 0.586 177.233 176.600 0.078 0.000 1.022 240 E CA -0.078 56.364 56.400 0.070 0.000 0.887 240 E CB 1.335 30.997 29.700 -0.063 0.000 0.990 240 E HN 0.303 nan 8.360 nan 0.000 0.426 241 V N 0.656 120.611 119.914 0.070 0.000 2.993 241 V HA 0.187 4.307 4.120 0.000 0.000 0.377 241 V C 0.359 176.536 176.094 0.139 0.000 1.318 241 V CA -0.590 61.722 62.300 0.020 0.000 1.312 241 V CB -0.602 31.106 31.823 -0.192 0.000 1.342 241 V HN 0.584 nan 8.190 nan 0.000 0.544 242 H N 2.393 121.527 119.070 0.107 0.000 2.732 242 H HA 0.326 4.882 4.556 0.000 0.000 0.351 242 H C 0.742 176.131 175.328 0.101 0.000 1.090 242 H CA 1.064 57.195 56.048 0.139 0.000 1.431 242 H CB 1.866 31.711 29.762 0.139 0.000 1.447 242 H HN 0.716 nan 8.280 nan 0.000 0.582 243 S N 5.701 121.525 115.700 0.207 0.000 2.568 243 S HA 0.138 4.608 4.470 0.000 0.000 0.282 243 S C -2.534 172.115 174.600 0.081 0.000 1.338 243 S CA -1.273 56.985 58.200 0.096 0.000 1.045 243 S CB 0.748 64.022 63.200 0.122 0.000 0.873 243 S HN 0.503 nan 8.310 nan 0.000 0.516 244 P HA 0.239 nan 4.420 nan 0.000 0.276 244 P C -0.421 176.741 177.300 -0.231 0.000 1.230 244 P CA -0.494 62.163 63.100 -0.739 0.000 0.776 244 P CB 0.429 31.452 31.700 -1.128 0.000 0.888 245 L N 2.330 123.483 121.223 -0.117 0.000 2.416 245 L HA 0.435 4.775 4.340 0.000 0.000 0.272 245 L C 0.784 177.660 176.870 0.011 0.000 1.161 245 L CA -0.080 54.776 54.840 0.027 0.000 0.845 245 L CB 0.251 42.391 42.059 0.134 0.000 1.119 245 L HN 0.459 nan 8.230 nan 0.000 0.464 246 A N 2.662 125.494 122.820 0.020 0.000 2.442 246 A HA 0.685 5.005 4.320 0.000 0.000 0.284 246 A C -0.764 176.765 177.584 -0.093 0.000 1.058 246 A CA -0.391 51.623 52.037 -0.038 0.000 0.738 246 A CB 1.460 20.401 19.000 -0.099 0.000 1.242 246 A HN 0.569 nan 8.150 nan 0.000 0.421 247 S N 3.137 118.740 115.700 -0.162 0.000 2.536 247 S HA 0.754 5.224 4.470 0.000 0.000 0.287 247 S C -2.861 171.575 174.600 -0.274 0.000 1.101 247 S CA -1.019 56.968 58.200 -0.355 0.000 0.950 247 S CB 1.854 64.991 63.200 -0.105 0.000 1.056 247 S HN 0.554 nan 8.310 nan 0.000 0.481 248 P HA 0.172 nan 4.420 nan 0.000 0.271 248 P C 0.753 178.062 177.300 0.014 0.000 1.233 248 P CA -0.403 62.636 63.100 -0.102 0.000 0.789 248 P CB 0.552 32.238 31.700 -0.023 0.000 0.951 249 K N 1.660 122.058 120.400 -0.004 0.000 2.103 249 K HA -0.233 4.087 4.320 0.000 0.000 0.207 249 K C 1.821 178.384 176.600 -0.060 0.000 1.048 249 K CA 1.610 57.889 56.287 -0.014 0.000 0.930 249 K CB -0.140 32.350 32.500 -0.017 0.000 0.716 249 K HN 0.271 nan 8.250 nan 0.000 0.444 250 K N -0.305 120.008 120.400 -0.145 0.000 2.103 250 K HA -0.198 4.122 4.320 0.000 0.000 0.207 250 K C 1.693 178.039 176.600 -0.423 0.000 1.048 250 K CA 1.762 57.841 56.287 -0.347 0.000 0.930 250 K CB -0.084 32.081 32.500 -0.559 0.000 0.716 250 K HN 0.229 nan 8.250 nan 0.000 0.444 251 Y N 0.111 120.405 120.300 -0.010 0.000 2.397 251 Y HA 0.040 4.590 4.550 0.000 0.000 0.292 251 Y C 1.947 177.913 175.900 0.110 0.000 1.115 251 Y CA 0.268 58.399 58.100 0.052 0.000 1.208 251 Y CB -0.027 38.483 38.460 0.083 0.000 1.046 251 Y HN -0.070 nan 8.280 nan 0.000 0.552 252 L N -0.134 121.202 121.223 0.188 0.000 2.093 252 L HA -0.200 4.140 4.340 0.000 0.000 0.208 252 L C 1.494 178.430 176.870 0.110 0.000 1.085 252 L CA 1.244 56.184 54.840 0.167 0.000 0.755 252 L CB -0.317 41.801 42.059 0.098 0.000 0.904 252 L HN 0.162 nan 8.230 nan 0.000 0.435 253 D N -0.414 119.995 120.400 0.016 0.000 2.269 253 D HA -0.124 4.516 4.640 0.000 0.000 0.208 253 D C 2.263 178.507 176.300 -0.094 0.000 0.963 253 D CA 0.941 54.921 54.000 -0.034 0.000 0.864 253 D CB -0.005 40.756 40.800 -0.065 0.000 0.936 253 D HN 0.292 nan 8.370 nan 0.000 0.505 254 M N -0.755 118.724 119.600 -0.201 0.000 2.358 254 M HA -0.155 4.325 4.480 0.000 0.000 0.264 254 M C 0.284 176.219 176.300 -0.608 0.000 1.064 254 M CA 1.212 56.209 55.300 -0.504 0.000 1.093 254 M CB 0.097 32.202 32.600 -0.825 0.000 1.401 254 M HN 0.038 nan 8.290 nan 0.000 0.440 255 Y N -1.682 118.729 120.300 0.185 0.000 2.672 255 Y HA 0.222 4.772 4.550 0.000 0.000 0.272 255 Y C 1.730 177.761 175.900 0.219 0.000 1.055 255 Y CA -0.580 57.716 58.100 0.327 0.000 1.151 255 Y CB -0.653 38.039 38.460 0.386 0.000 1.190 255 Y HN 0.137 nan 8.280 nan 0.000 0.574 256 S N -1.086 114.708 115.700 0.157 0.000 2.423 256 S HA -0.268 4.203 4.470 0.000 0.000 0.231 256 S C 1.889 176.491 174.600 0.002 0.000 1.014 256 S CA 1.290 59.530 58.200 0.066 0.000 0.965 256 S CB -0.110 63.097 63.200 0.012 0.000 0.785 256 S HN 0.654 nan 8.310 nan 0.000 0.495 257 Q N 0.174 119.923 119.800 -0.086 0.000 2.170 257 Q HA -0.138 4.202 4.340 0.000 0.000 0.203 257 Q C 0.666 176.476 176.000 -0.316 0.000 0.976 257 Q CA 1.311 56.940 55.803 -0.290 0.000 0.858 257 Q CB -0.155 28.253 28.738 -0.551 0.000 0.907 257 Q HN 0.788 nan 8.270 nan 0.000 0.433 258 Y N -0.597 119.766 120.300 0.104 0.000 2.493 258 Y HA 0.221 4.771 4.550 0.000 0.000 0.275 258 Y C 0.146 175.993 175.900 -0.087 0.000 1.183 258 Y CA -0.253 57.880 58.100 0.054 0.000 1.258 258 Y CB 0.475 39.024 38.460 0.148 0.000 1.108 258 Y HN 0.056 nan 8.280 nan 0.000 0.521 259 M N 0.178 119.790 119.600 0.021 0.000 2.367 259 M HA 0.304 4.784 4.480 0.000 0.000 0.339 259 M C 0.642 176.886 176.300 -0.093 0.000 1.177 259 M CA -0.573 54.681 55.300 -0.076 0.000 1.068 259 M CB 1.348 33.933 32.600 -0.026 0.000 1.602 259 M HN 0.159 nan 8.290 nan 0.000 0.457 260 S N 1.448 117.058 115.700 -0.150 0.000 2.634 260 S HA 0.526 4.996 4.470 0.000 0.000 0.261 260 S C 1.145 175.752 174.600 0.012 0.000 1.271 260 S CA -0.105 58.060 58.200 -0.058 0.000 0.985 260 S CB 0.711 63.873 63.200 -0.063 0.000 0.968 260 S HN 0.726 nan 8.310 nan 0.000 0.568 261 A N 0.048 122.906 122.820 0.063 0.000 1.930 261 A HA 0.016 4.337 4.320 0.000 0.000 0.217 261 A C 1.946 179.596 177.584 0.109 0.000 1.175 261 A CA 1.340 53.420 52.037 0.071 0.000 0.627 261 A CB -1.330 17.719 19.000 0.082 0.000 0.815 261 A HN 0.974 nan 8.150 nan 0.000 0.443 262 Y N 0.013 120.340 120.300 0.045 0.000 2.200 262 Y HA -0.201 4.349 4.550 0.000 0.000 0.290 262 Y C 2.634 178.608 175.900 0.124 0.000 1.137 262 Y CA 2.158 60.324 58.100 0.109 0.000 1.163 262 Y CB -0.124 38.365 38.460 0.048 0.000 0.988 262 Y HN 0.367 nan 8.280 nan 0.000 0.518 263 Q N 1.036 120.899 119.800 0.105 0.000 2.084 263 Q HA -0.223 4.117 4.340 0.000 0.000 0.202 263 Q C 1.939 177.930 176.000 -0.015 0.000 0.978 263 Q CA 1.981 57.791 55.803 0.011 0.000 0.844 263 Q CB -0.136 28.561 28.738 -0.068 0.000 0.898 263 Q HN 0.521 nan 8.270 nan 0.000 0.426 264 K N -0.243 120.142 120.400 -0.024 0.000 2.148 264 K HA -0.113 4.207 4.320 0.000 0.000 0.204 264 K C 2.086 178.632 176.600 -0.090 0.000 1.050 264 K CA 0.977 57.240 56.287 -0.039 0.000 0.942 264 K CB 0.112 32.594 32.500 -0.030 0.000 0.724 264 K HN 0.171 nan 8.250 nan 0.000 0.446 265 Q N -0.175 119.534 119.800 -0.152 0.000 2.311 265 Q HA -0.030 4.310 4.340 0.000 0.000 0.203 265 Q C 0.272 175.920 176.000 -0.586 0.000 0.954 265 Q CA 1.077 56.671 55.803 -0.348 0.000 0.885 265 Q CB 0.405 28.918 28.738 -0.375 0.000 0.963 265 Q HN 0.502 nan 8.270 nan 0.000 0.471 266 H N -0.363 118.603 119.070 -0.173 0.000 2.439 266 H HA 0.183 4.739 4.556 0.000 0.000 0.230 266 H C -1.728 173.654 175.328 0.091 0.000 1.420 266 H CA -1.393 54.656 56.048 0.002 0.000 1.305 266 H CB 1.189 30.844 29.762 -0.179 0.000 1.667 266 H HN 0.066 nan 8.280 nan 0.000 0.515 267 P HA -0.102 nan 4.420 nan 0.000 0.217 267 P C 0.798 178.228 177.300 0.217 0.000 1.151 267 P CA 1.151 64.337 63.100 0.142 0.000 0.828 267 P CB 0.356 32.106 31.700 0.083 0.000 0.788 268 D N -0.803 119.768 120.400 0.286 0.000 2.427 268 D HA 0.069 4.710 4.640 0.000 0.000 0.224 268 D C 0.501 176.998 176.300 0.328 0.000 1.157 268 D CA -0.806 53.375 54.000 0.301 0.000 0.828 268 D CB -0.975 39.983 40.800 0.263 0.000 0.974 268 D HN 0.041 nan 8.370 nan 0.000 0.498 269 L N 1.310 122.713 121.223 0.299 0.000 2.513 269 L HA 0.196 4.536 4.340 0.000 0.000 0.272 269 L C -0.345 176.732 176.870 0.346 0.000 1.187 269 L CA -0.363 54.538 54.840 0.102 0.000 0.895 269 L CB -0.101 42.075 42.059 0.195 0.000 1.147 269 L HN 0.003 nan 8.230 nan 0.000 0.483 270 F N 6.068 126.008 119.950 -0.017 0.000 2.529 270 F HA 0.116 4.643 4.527 0.000 0.000 0.365 270 F C 0.972 176.536 175.800 -0.392 0.000 1.102 270 F CA -0.101 57.852 58.000 -0.079 0.000 1.271 270 F CB 0.389 39.356 39.000 -0.056 0.000 1.120 270 F HN 0.679 nan 8.300 nan 0.000 0.579 271 Y N 3.575 122.871 120.300 -1.674 0.000 2.403 271 Y HA 0.027 4.577 4.550 0.000 0.000 0.291 271 Y C 1.781 176.832 175.900 -1.415 0.000 1.143 271 Y CA 0.839 57.504 58.100 -2.391 0.000 1.257 271 Y CB -0.658 36.569 38.460 -2.054 0.000 0.984 271 Y HN 0.623 nan 8.280 nan 0.000 0.550 272 G N 0.306 108.068 108.800 -1.730 0.000 2.559 272 G HA2 -0.169 3.791 3.960 0.000 0.000 0.216 272 G HA3 -0.169 3.791 3.960 0.000 0.000 0.216 272 G C 0.662 175.343 174.900 -0.366 0.000 1.126 272 G CA 0.874 45.423 45.100 -0.918 0.000 0.778 272 G HN 0.487 nan 8.290 nan 0.000 0.543 273 D N -1.137 119.101 120.400 -0.270 0.000 2.501 273 D HA 0.103 4.743 4.640 0.000 0.000 0.226 273 D C 0.732 177.128 176.300 0.160 0.000 1.198 273 D CA -0.456 53.538 54.000 -0.010 0.000 0.830 273 D CB 0.094 40.932 40.800 0.063 0.000 1.014 273 D HN 0.332 nan 8.370 nan 0.000 0.496 274 W N 1.234 122.469 121.300 -0.108 0.000 2.942 274 W HA 0.309 4.970 4.660 0.000 0.000 0.263 274 W C 2.103 178.577 176.519 -0.076 0.000 1.296 274 W CA -0.527 56.776 57.345 -0.071 0.000 1.504 274 W CB -0.697 28.735 29.460 -0.046 0.000 1.096 274 W HN 0.007 nan 8.180 nan 0.000 0.639 275 A N 1.101 123.992 122.820 0.119 0.000 2.024 275 A HA -0.188 4.132 4.320 0.000 0.000 0.220 275 A C 1.431 179.024 177.584 0.014 0.000 1.164 275 A CA 2.198 54.261 52.037 0.044 0.000 0.643 275 A CB -0.588 18.411 19.000 -0.002 0.000 0.806 275 A HN 0.261 nan 8.150 nan 0.000 0.451 276 D N -1.755 118.650 120.400 0.008 0.000 2.501 276 D HA 0.145 4.785 4.640 0.000 0.000 0.224 276 D C -0.127 176.130 176.300 -0.070 0.000 1.202 276 D CA -0.126 53.860 54.000 -0.023 0.000 0.829 276 D CB 0.159 40.953 40.800 -0.010 0.000 1.023 276 D HN 0.024 nan 8.370 nan 0.000 0.499 277 K N 1.122 121.458 120.400 -0.106 0.000 2.221 277 K HA 0.539 4.860 4.320 0.000 0.000 0.243 277 K C -2.463 173.907 176.600 -0.384 0.000 0.968 277 K CA -2.019 54.088 56.287 -0.301 0.000 0.846 277 K CB 0.605 32.939 32.500 -0.276 0.000 1.141 277 K HN -0.073 nan 8.250 nan 0.000 0.434 278 P HA -0.023 nan 4.420 nan 0.000 0.269 278 P C -0.494 176.660 177.300 -0.242 0.000 1.217 278 P CA -0.285 62.565 63.100 -0.417 0.000 0.783 278 P CB 0.325 31.724 31.700 -0.502 0.000 0.898 279 W N 2.859 124.017 121.300 -0.236 0.000 2.231 279 W HA 0.020 4.680 4.660 0.000 0.000 0.341 279 W C 0.959 177.389 176.519 -0.149 0.000 1.298 279 W CA 0.078 57.312 57.345 -0.185 0.000 1.266 279 W CB 0.261 29.649 29.460 -0.121 0.000 1.172 279 W HN 0.379 nan 8.180 nan 0.000 0.568 280 R N 4.040 124.141 120.500 -0.664 0.000 2.334 280 R HA 0.306 4.647 4.340 0.000 0.000 0.216 280 R C 1.061 176.845 176.300 -0.859 0.000 0.905 280 R CA 0.467 56.199 56.100 -0.614 0.000 1.064 280 R CB -0.034 29.893 30.300 -0.621 0.000 1.046 280 R HN 0.791 nan 8.270 nan 0.000 0.508 281 G N 0.468 108.189 108.800 -1.798 0.000 2.615 281 G HA2 -0.298 3.662 3.960 0.000 0.000 0.218 281 G HA3 -0.298 3.662 3.960 0.000 0.000 0.218 281 G C 0.364 174.617 174.900 -1.079 0.000 1.339 281 G CA -0.264 43.806 45.100 -1.716 0.000 0.884 281 G HN 0.201 nan 8.290 nan 0.000 0.559 282 V N -2.668 116.898 119.914 -0.581 0.000 3.556 282 V HA 0.600 4.720 4.120 0.000 0.000 0.287 282 V C 2.295 177.983 176.094 -0.676 0.000 1.422 282 V CA 1.622 63.614 62.300 -0.514 0.000 1.038 282 V CB 0.131 31.686 31.823 -0.447 0.000 0.850 282 V HN 2.041 nan 8.190 nan 0.000 0.437 283 G N 0.589 109.182 108.800 -0.345 0.000 2.422 283 G HA2 -0.141 3.819 3.960 0.000 0.000 0.218 283 G HA3 -0.141 3.819 3.960 0.000 0.000 0.218 283 G C 1.329 176.190 174.900 -0.065 0.000 1.140 283 G CA 0.976 46.005 45.100 -0.119 0.000 0.775 283 G HN 0.579 nan 8.290 nan 0.000 0.545 284 E N -0.786 119.371 120.200 -0.072 0.000 2.150 284 E HA -0.134 4.216 4.350 0.000 0.000 0.193 284 E C 1.981 178.597 176.600 0.027 0.000 0.985 284 E CA 0.649 57.059 56.400 0.015 0.000 0.814 284 E CB -0.182 29.534 29.700 0.025 0.000 0.752 284 E HN 0.587 nan 8.360 nan 0.000 0.466 285 Y N 0.038 120.242 120.300 -0.159 0.000 2.200 285 Y HA -0.264 4.286 4.550 0.000 0.000 0.290 285 Y C 1.773 177.641 175.900 -0.052 0.000 1.137 285 Y CA 1.462 59.501 58.100 -0.102 0.000 1.163 285 Y CB -0.072 38.306 38.460 -0.137 0.000 0.988 285 Y HN 0.048 nan 8.280 nan 0.000 0.518 286 Y N -0.428 119.759 120.300 -0.188 0.000 2.242 286 Y HA -0.086 4.464 4.550 0.000 0.000 0.291 286 Y C 2.611 178.235 175.900 -0.460 0.000 1.137 286 Y CA 0.342 58.102 58.100 -0.567 0.000 1.181 286 Y CB -1.588 36.171 38.460 -1.168 0.000 0.989 286 Y HN 0.224 nan 8.280 nan 0.000 0.527 287 A N 0.473 123.297 122.820 0.007 0.000 1.865 287 A HA -0.274 4.046 4.320 0.000 0.000 0.217 287 A C 2.328 179.988 177.584 0.127 0.000 1.191 287 A CA 2.016 54.216 52.037 0.271 0.000 0.623 287 A CB -1.088 18.062 19.000 0.250 0.000 0.826 287 A HN 0.562 nan 8.150 nan 0.000 0.444 288 N N -0.364 118.338 118.700 0.003 0.000 2.166 288 N HA -0.126 4.614 4.740 0.000 0.000 0.186 288 N C 1.784 177.225 175.510 -0.116 0.000 1.019 288 N CA 1.484 54.516 53.050 -0.029 0.000 0.856 288 N CB -0.197 38.239 38.487 -0.086 0.000 0.993 288 N HN 0.572 nan 8.380 nan 0.000 0.426 289 I N 0.364 120.811 120.570 -0.205 0.000 2.179 289 I HA -0.229 3.941 4.170 0.000 0.000 0.242 289 I C 2.303 178.342 176.117 -0.130 0.000 1.088 289 I CA 0.876 62.056 61.300 -0.200 0.000 1.357 289 I CB -0.286 37.569 38.000 -0.240 0.000 1.051 289 I HN 0.055 nan 8.210 nan 0.000 0.409 290 S N -0.227 115.458 115.700 -0.025 0.000 2.383 290 S HA -0.197 4.273 4.470 0.000 0.000 0.227 290 S C 1.961 176.471 174.600 -0.150 0.000 1.026 290 S CA 1.022 59.263 58.200 0.068 0.000 0.981 290 S CB -0.406 63.025 63.200 0.386 0.000 0.818 290 S HN 0.399 nan 8.310 nan 0.000 0.472 291 Y N 2.456 122.439 120.300 -0.529 0.000 2.128 291 Y HA -0.132 4.418 4.550 0.000 0.000 0.284 291 Y C 2.099 177.681 175.900 -0.530 0.000 1.154 291 Y CA 1.109 58.684 58.100 -0.876 0.000 1.149 291 Y CB -0.939 37.155 38.460 -0.610 0.000 0.976 291 Y HN 0.215 nan 8.280 nan 0.000 0.505 292 L N 0.823 121.765 121.223 -0.469 0.000 2.012 292 L HA -0.219 4.121 4.340 0.000 0.000 0.210 292 L C 2.071 178.636 176.870 -0.508 0.000 1.073 292 L CA 2.686 57.179 54.840 -0.577 0.000 0.748 292 L CB -1.281 40.560 42.059 -0.364 0.000 0.891 292 L HN 0.356 nan 8.230 nan 0.000 0.431 293 D N -0.793 119.416 120.400 -0.318 0.000 2.123 293 D HA -0.220 4.420 4.640 0.000 0.000 0.196 293 D C 2.088 178.263 176.300 -0.208 0.000 0.992 293 D CA 1.516 55.370 54.000 -0.243 0.000 0.833 293 D CB -0.071 40.642 40.800 -0.144 0.000 0.954 293 D HN 0.512 nan 8.370 nan 0.000 0.455 294 A N -0.100 122.605 122.820 -0.192 0.000 1.902 294 A HA -0.192 4.128 4.320 0.000 0.000 0.217 294 A C 2.176 179.678 177.584 -0.135 0.000 1.181 294 A CA 1.346 53.332 52.037 -0.085 0.000 0.623 294 A CB -0.545 18.464 19.000 0.015 0.000 0.818 294 A HN 0.225 nan 8.150 nan 0.000 0.443 295 Q N -0.160 119.449 119.800 -0.317 0.000 2.119 295 Q HA -0.078 4.262 4.340 0.000 0.000 0.201 295 Q C 2.300 178.217 176.000 -0.139 0.000 0.972 295 Q CA 1.484 57.116 55.803 -0.285 0.000 0.847 295 Q CB -1.112 27.281 28.738 -0.576 0.000 0.903 295 Q HN 0.467 nan 8.270 nan 0.000 0.433 296 V N 0.871 120.619 119.914 -0.275 0.000 2.332 296 V HA -0.222 3.898 4.120 0.000 0.000 0.248 296 V C 2.326 178.417 176.094 -0.004 0.000 1.055 296 V CA 2.033 64.304 62.300 -0.048 0.000 1.038 296 V CB -1.336 30.395 31.823 -0.154 0.000 0.651 296 V HN 0.458 nan 8.190 nan 0.000 0.450 297 G N -0.758 108.011 108.800 -0.051 0.000 2.440 297 G HA2 -0.313 3.647 3.960 0.000 0.000 0.218 297 G HA3 -0.313 3.647 3.960 0.000 0.000 0.218 297 G C 1.662 176.579 174.900 0.028 0.000 1.154 297 G CA 1.060 46.154 45.100 -0.011 0.000 0.767 297 G HN 0.469 nan 8.290 nan 0.000 0.552 298 K N -0.258 120.163 120.400 0.036 0.000 2.103 298 K HA -0.043 4.277 4.320 0.000 0.000 0.207 298 K C 2.593 179.237 176.600 0.074 0.000 1.048 298 K CA 1.112 57.434 56.287 0.058 0.000 0.930 298 K CB -0.135 32.404 32.500 0.064 0.000 0.716 298 K HN 0.242 nan 8.250 nan 0.000 0.444 299 V N 1.256 121.230 119.914 0.100 0.000 2.323 299 V HA -0.213 3.907 4.120 0.000 0.000 0.244 299 V C 2.152 178.308 176.094 0.103 0.000 1.041 299 V CA 1.427 63.793 62.300 0.110 0.000 1.025 299 V CB -0.316 31.599 31.823 0.154 0.000 0.656 299 V HN 0.295 nan 8.190 nan 0.000 0.451 300 L N -0.170 121.110 121.223 0.095 0.000 2.093 300 L HA -0.142 4.198 4.340 0.000 0.000 0.208 300 L C 2.319 179.237 176.870 0.080 0.000 1.085 300 L CA 1.333 56.228 54.840 0.091 0.000 0.755 300 L CB -0.733 41.366 42.059 0.067 0.000 0.904 300 L HN 0.330 nan 8.230 nan 0.000 0.435 301 D N 0.131 120.569 120.400 0.064 0.000 2.144 301 D HA -0.182 4.458 4.640 0.000 0.000 0.200 301 D C 2.100 178.436 176.300 0.060 0.000 0.978 301 D CA 1.050 55.083 54.000 0.055 0.000 0.833 301 D CB 0.003 40.830 40.800 0.045 0.000 0.961 301 D HN 0.055 nan 8.370 nan 0.000 0.470 302 K N 0.743 121.181 120.400 0.063 0.000 2.057 302 K HA -0.053 4.267 4.320 0.000 0.000 0.207 302 K C 1.902 178.547 176.600 0.076 0.000 1.049 302 K CA 0.646 56.967 56.287 0.058 0.000 0.931 302 K CB -0.293 32.236 32.500 0.049 0.000 0.714 302 K HN 0.019 nan 8.250 nan 0.000 0.440 303 I N 1.001 121.637 120.570 0.110 0.000 2.286 303 I HA -0.247 3.923 4.170 0.000 0.000 0.248 303 I C 2.252 178.450 176.117 0.134 0.000 1.115 303 I CA 1.405 62.801 61.300 0.161 0.000 1.392 303 I CB -0.780 37.343 38.000 0.206 0.000 1.065 303 I HN 0.312 nan 8.210 nan 0.000 0.418 304 K N 0.997 121.458 120.400 0.101 0.000 2.031 304 K HA -0.080 4.240 4.320 0.000 0.000 0.205 304 K C 2.281 178.920 176.600 0.066 0.000 1.049 304 K CA 1.301 57.636 56.287 0.081 0.000 0.939 304 K CB 0.014 32.552 32.500 0.064 0.000 0.717 304 K HN 0.211 nan 8.250 nan 0.000 0.438 305 A N 1.962 124.817 122.820 0.058 0.000 1.877 305 A HA -0.180 4.140 4.320 0.000 0.000 0.216 305 A C 2.086 179.696 177.584 0.042 0.000 1.186 305 A CA 1.930 53.992 52.037 0.043 0.000 0.620 305 A CB -0.685 18.337 19.000 0.035 0.000 0.822 305 A HN 0.595 nan 8.150 nan 0.000 0.443 306 M N -1.885 117.745 119.600 0.050 0.000 2.722 306 M HA 0.322 4.802 4.480 0.000 0.000 0.238 306 M C 1.059 177.399 176.300 0.066 0.000 1.098 306 M CA 1.110 56.439 55.300 0.048 0.000 1.062 306 M CB -0.426 32.197 32.600 0.039 0.000 1.573 306 M HN 0.834 nan 8.290 nan 0.000 0.531 307 G N 1.034 109.877 108.800 0.072 0.000 2.142 307 G HA2 -0.177 3.783 3.960 0.000 0.000 0.225 307 G HA3 -0.177 3.783 3.960 0.000 0.000 0.225 307 G C 0.129 175.086 174.900 0.095 0.000 1.015 307 G CA 0.210 45.353 45.100 0.071 0.000 0.716 307 G HN 0.606 nan 8.290 nan 0.000 0.508 308 E N -0.524 119.753 120.200 0.128 0.000 2.603 308 E HA 0.107 4.457 4.350 0.000 0.000 0.211 308 E C 1.627 178.325 176.600 0.163 0.000 0.995 308 E CA 0.286 56.782 56.400 0.161 0.000 0.990 308 E CB 0.423 30.272 29.700 0.247 0.000 1.036 308 E HN 0.780 nan 8.360 nan 0.000 0.475 309 E N 1.449 121.730 120.200 0.135 0.000 2.097 309 E HA -0.212 4.138 4.350 0.000 0.000 0.196 309 E C 0.644 177.331 176.600 0.144 0.000 1.000 309 E CA 1.332 57.812 56.400 0.133 0.000 0.804 309 E CB 0.217 29.973 29.700 0.092 0.000 0.740 309 E HN 0.013 nan 8.360 nan 0.000 0.454 310 D N -0.251 120.217 120.400 0.113 0.000 2.363 310 D HA -0.042 4.598 4.640 0.000 0.000 0.226 310 D C 0.614 177.033 176.300 0.198 0.000 1.020 310 D CA 0.467 54.531 54.000 0.106 0.000 0.892 310 D CB -0.014 40.807 40.800 0.036 0.000 0.900 310 D HN 0.112 nan 8.370 nan 0.000 0.531 311 N N -0.554 118.276 118.700 0.217 0.000 2.241 311 N HA 0.042 4.782 4.740 0.000 0.000 0.238 311 N C -1.228 174.451 175.510 0.281 0.000 1.244 311 N CA 0.025 53.235 53.050 0.266 0.000 0.880 311 N CB 0.819 39.394 38.487 0.147 0.000 1.179 311 N HN -0.239 nan 8.380 nan 0.000 0.513 312 T N 0.728 115.471 114.554 0.314 0.000 2.809 312 T HA 0.461 4.811 4.350 0.000 0.000 0.284 312 T C 0.124 174.970 174.700 0.243 0.000 0.992 312 T CA -0.436 61.776 62.100 0.186 0.000 0.957 312 T CB 1.299 70.267 68.868 0.166 0.000 0.942 312 T HN -0.002 nan 8.240 nan 0.000 0.439 313 I N 3.222 123.792 120.570 0.000 0.000 2.416 313 I HA 0.308 4.478 4.170 0.000 0.000 0.288 313 I C -0.238 175.906 176.117 0.046 0.000 1.051 313 I CA -0.564 60.696 61.300 -0.066 0.000 1.375 313 I CB 0.809 38.632 38.000 -0.296 0.000 1.407 313 I HN 0.226 nan 8.210 nan 0.000 0.516 314 V N 8.100 128.071 119.914 0.095 0.000 2.409 314 V HA 0.438 4.558 4.120 0.000 0.000 0.291 314 V C -0.004 176.122 176.094 0.054 0.000 1.020 314 V CA -0.444 61.919 62.300 0.105 0.000 0.848 314 V CB 1.739 33.651 31.823 0.147 0.000 0.990 314 V HN 0.479 nan 8.190 nan 0.000 0.430 315 I N 5.373 125.934 120.570 -0.015 0.000 2.362 315 I HA 0.435 4.605 4.170 0.000 0.000 0.289 315 I C -0.905 175.221 176.117 0.015 0.000 0.994 315 I CA -0.395 60.824 61.300 -0.136 0.000 1.158 315 I CB 1.557 39.231 38.000 -0.545 0.000 1.315 315 I HN 0.547 nan 8.210 nan 0.000 0.451 316 F N 6.726 126.652 119.950 -0.041 0.000 2.426 316 F HA 0.653 5.180 4.527 0.000 0.000 0.348 316 F C 0.007 175.810 175.800 0.006 0.000 1.124 316 F CA 0.107 58.114 58.000 0.011 0.000 1.008 316 F CB 1.415 40.446 39.000 0.052 0.000 1.139 316 F HN 0.433 nan 8.300 nan 0.000 0.452 317 T N 2.987 117.133 114.554 -0.681 0.000 2.647 317 T HA 0.574 4.924 4.350 0.000 0.000 0.295 317 T C -1.575 172.832 174.700 -0.487 0.000 1.126 317 T CA -0.525 61.300 62.100 -0.459 0.000 1.040 317 T CB 1.536 70.323 68.868 -0.134 0.000 1.472 317 T HN 0.625 nan 8.240 nan 0.000 0.500 318 S N -0.403 115.225 115.700 -0.120 0.000 2.568 318 S HA 0.474 4.944 4.470 0.000 0.000 0.293 318 S C 0.256 174.936 174.600 0.133 0.000 1.089 318 S CA -0.283 57.906 58.200 -0.017 0.000 0.945 318 S CB 1.481 64.700 63.200 0.032 0.000 1.077 318 S HN 0.811 nan 8.310 nan 0.000 0.485 319 D N 1.997 122.479 120.400 0.137 0.000 2.249 319 D HA 0.038 4.678 4.640 0.000 0.000 0.205 319 D C 0.380 176.789 176.300 0.182 0.000 0.962 319 D CA 0.709 54.817 54.000 0.180 0.000 0.860 319 D CB -0.314 40.592 40.800 0.177 0.000 0.955 319 D HN 0.689 nan 8.370 nan 0.000 0.505 320 N N -1.328 117.474 118.700 0.169 0.000 3.227 320 N HA 0.245 4.985 4.740 0.000 0.000 0.241 320 N C 0.071 175.669 175.510 0.146 0.000 1.480 320 N CA -0.580 52.563 53.050 0.154 0.000 0.886 320 N CB 0.747 39.321 38.487 0.145 0.000 1.406 320 N HN 0.001 nan 8.380 nan 0.000 0.514 321 G N -0.145 108.732 108.800 0.127 0.000 2.699 321 G HA2 0.378 4.338 3.960 0.000 0.000 0.246 321 G HA3 0.378 4.338 3.960 0.000 0.000 0.246 321 G C -2.425 172.556 174.900 0.135 0.000 1.219 321 G CA -0.471 44.705 45.100 0.126 0.000 0.866 321 G HN 0.519 nan 8.290 nan 0.000 0.572 322 P HA 0.309 nan 4.420 nan 0.000 0.280 322 P C -0.455 176.907 177.300 0.104 0.000 1.272 322 P CA -0.578 62.611 63.100 0.149 0.000 0.819 322 P CB 1.412 33.218 31.700 0.177 0.000 1.122 323 V N 1.244 121.213 119.914 0.091 0.000 2.455 323 V HA 0.208 4.328 4.120 0.000 0.000 0.273 323 V C 1.361 177.428 176.094 -0.044 0.000 1.045 323 V CA 0.193 62.516 62.300 0.040 0.000 0.976 323 V CB 0.063 31.914 31.823 0.047 0.000 0.993 323 V HN 0.788 nan 8.190 nan 0.000 0.475 324 T N 2.818 117.350 114.554 -0.036 0.000 2.920 324 T HA 0.331 4.681 4.350 0.000 0.000 0.292 324 T C 1.167 175.821 174.700 -0.076 0.000 1.093 324 T CA -0.545 61.510 62.100 -0.076 0.000 0.944 324 T CB 0.678 69.531 68.868 -0.024 0.000 1.605 324 T HN 0.409 nan 8.240 nan 0.000 0.590 325 R N 0.457 120.923 120.500 -0.057 0.000 2.241 325 R HA 0.049 4.389 4.340 0.000 0.000 0.224 325 R C 1.246 177.522 176.300 -0.039 0.000 1.101 325 R CA 0.735 56.814 56.100 -0.034 0.000 0.995 325 R CB -0.216 30.056 30.300 -0.048 0.000 0.870 325 R HN 0.685 nan 8.270 nan 0.000 0.463 326 E N 1.604 121.785 120.200 -0.033 0.000 1.842 326 E HA 0.154 4.504 4.350 0.000 0.000 0.278 326 E C -0.983 175.611 176.600 -0.011 0.000 1.171 326 E CA -0.473 55.913 56.400 -0.024 0.000 1.127 326 E CB 0.213 29.907 29.700 -0.010 0.000 1.100 326 E HN 0.214 nan 8.360 nan 0.000 0.456 327 A N 3.762 126.572 122.820 -0.018 0.000 2.401 327 A HA 0.229 4.549 4.320 0.000 0.000 0.259 327 A C 0.648 178.211 177.584 -0.035 0.000 1.103 327 A CA -0.273 51.752 52.037 -0.021 0.000 0.789 327 A CB 0.599 19.592 19.000 -0.010 0.000 1.035 327 A HN 0.773 nan 8.150 nan 0.000 0.491 328 R N 0.304 120.772 120.500 -0.053 0.000 2.394 328 R HA 0.159 4.499 4.340 0.000 0.000 0.220 328 R C -0.300 175.931 176.300 -0.116 0.000 0.887 328 R CA 0.347 56.418 56.100 -0.048 0.000 1.034 328 R CB 0.434 30.735 30.300 0.003 0.000 1.179 328 R HN 0.579 nan 8.270 nan 0.000 0.561 329 K N 0.035 120.290 120.400 -0.242 0.000 2.482 329 K HA 0.156 4.477 4.320 0.000 0.000 0.257 329 K C 0.304 176.632 176.600 -0.453 0.000 0.969 329 K CA -0.522 55.491 56.287 -0.456 0.000 0.842 329 K CB 2.118 34.029 32.500 -0.983 0.000 1.359 329 K HN -0.255 nan 8.250 nan 0.000 0.441 330 V N 1.668 121.358 119.914 -0.373 0.000 2.594 330 V HA -0.237 3.883 4.120 0.000 0.000 0.253 330 V C 1.395 177.399 176.094 -0.151 0.000 1.069 330 V CA 1.857 64.041 62.300 -0.193 0.000 1.082 330 V CB -0.543 31.210 31.823 -0.117 0.000 0.680 330 V HN 0.709 nan 8.190 nan 0.000 0.469 331 Y N -0.640 119.626 120.300 -0.057 0.000 2.490 331 Y HA 0.343 4.894 4.550 0.000 0.000 0.281 331 Y C 1.794 177.763 175.900 0.116 0.000 1.174 331 Y CA 0.201 58.299 58.100 -0.002 0.000 1.295 331 Y CB -0.589 37.855 38.460 -0.027 0.000 1.062 331 Y HN 0.322 nan 8.280 nan 0.000 0.522 332 E N 0.969 121.147 120.200 -0.037 0.000 2.476 332 E HA 0.217 4.567 4.350 0.000 0.000 0.196 332 E C -0.178 176.494 176.600 0.120 0.000 1.029 332 E CA -0.205 56.224 56.400 0.048 0.000 0.896 332 E CB 0.265 29.924 29.700 -0.068 0.000 1.012 332 E HN 0.436 nan 8.360 nan 0.000 0.475 333 L N 1.580 122.924 121.223 0.201 0.000 2.439 333 L HA 0.120 4.460 4.340 0.000 0.000 0.269 333 L C 0.496 177.555 176.870 0.315 0.000 1.179 333 L CA -0.335 54.655 54.840 0.250 0.000 0.828 333 L CB 0.238 42.476 42.059 0.298 0.000 1.106 333 L HN 0.166 nan 8.230 nan 0.000 0.467 334 N N 1.698 120.508 118.700 0.183 0.000 2.740 334 N HA -0.172 4.568 4.740 0.000 0.000 0.248 334 N C -0.974 174.576 175.510 0.067 0.000 1.062 334 N CA 0.729 53.814 53.050 0.057 0.000 0.704 334 N CB -1.202 37.085 38.487 -0.334 0.000 0.968 334 N HN 0.443 nan 8.380 nan 0.000 0.547 335 L N -1.013 120.253 121.223 0.072 0.000 2.313 335 L HA 0.798 5.138 4.340 0.000 0.000 0.268 335 L C 0.832 177.523 176.870 -0.298 0.000 1.010 335 L CA -0.699 54.094 54.840 -0.078 0.000 0.814 335 L CB 1.836 43.887 42.059 -0.013 0.000 1.304 335 L HN 0.081 nan 8.230 nan 0.000 0.441 336 A N 0.689 122.984 122.820 -0.876 0.000 2.709 336 A HA 0.476 4.796 4.320 0.000 0.000 0.241 336 A C 0.342 177.541 177.584 -0.643 0.000 0.879 336 A CA -0.120 51.569 52.037 -0.579 0.000 1.120 336 A CB -0.002 18.811 19.000 -0.311 0.000 1.226 336 A HN 0.755 nan 8.150 nan 0.000 0.468 337 G N 0.247 108.588 108.800 -0.765 0.000 2.484 337 G HA2 0.434 4.394 3.960 0.000 0.000 0.235 337 G HA3 0.434 4.394 3.960 0.000 0.000 0.235 337 G C -0.279 174.643 174.900 0.037 0.000 1.282 337 G CA 0.122 45.127 45.100 -0.158 0.000 0.857 337 G HN 0.349 nan 8.290 nan 0.000 0.571 338 E N 0.021 120.321 120.200 0.167 0.000 2.256 338 E HA 0.340 4.690 4.350 0.000 0.000 0.267 338 E C 0.407 177.102 176.600 0.160 0.000 0.892 338 E CA -0.584 55.897 56.400 0.135 0.000 0.775 338 E CB 1.847 31.623 29.700 0.127 0.000 1.207 338 E HN 0.556 nan 8.360 nan 0.000 0.420 339 T N -2.069 112.573 114.554 0.145 0.000 3.145 339 T HA 0.114 4.464 4.350 0.000 0.000 0.281 339 T C 0.308 175.168 174.700 0.266 0.000 1.003 339 T CA -0.123 62.095 62.100 0.197 0.000 0.901 339 T CB -0.044 68.897 68.868 0.123 0.000 1.112 339 T HN 0.481 nan 8.240 nan 0.000 0.535 340 D N 0.962 121.498 120.400 0.227 0.000 2.772 340 D HA -0.130 4.510 4.640 0.000 0.000 0.233 340 D C 1.350 177.791 176.300 0.235 0.000 1.143 340 D CA 1.749 55.893 54.000 0.241 0.000 0.700 340 D CB -1.488 39.557 40.800 0.407 0.000 1.076 340 D HN 1.002 nan 8.370 nan 0.000 0.430 341 G N -1.662 107.233 108.800 0.158 0.000 2.234 341 G HA2 -0.342 3.618 3.960 0.000 0.000 0.260 341 G HA3 -0.342 3.618 3.960 0.000 0.000 0.260 341 G C 0.559 175.606 174.900 0.244 0.000 0.987 341 G CA 0.359 45.548 45.100 0.148 0.000 0.625 341 G HN 0.618 nan 8.290 nan 0.000 0.532 342 L N 0.676 122.017 121.223 0.196 0.000 2.461 342 L HA 0.334 4.675 4.340 0.000 0.000 0.272 342 L C 1.402 178.280 176.870 0.014 0.000 1.197 342 L CA -0.546 54.342 54.840 0.080 0.000 0.836 342 L CB 0.410 42.437 42.059 -0.052 0.000 1.105 342 L HN 0.302 nan 8.230 nan 0.000 0.477 343 R N 1.455 121.908 120.500 -0.078 0.000 2.537 343 R HA 0.419 4.759 4.340 0.000 0.000 0.280 343 R C 0.368 176.641 176.300 -0.046 0.000 1.058 343 R CA 0.922 56.897 56.100 -0.208 0.000 1.057 343 R CB 0.406 30.376 30.300 -0.550 0.000 0.973 343 R HN 0.871 nan 8.270 nan 0.000 0.438 344 G N 2.307 111.091 108.800 -0.026 0.000 2.698 344 G HA2 -0.232 3.728 3.960 0.000 0.000 0.225 344 G HA3 -0.232 3.728 3.960 0.000 0.000 0.225 344 G C -1.144 173.830 174.900 0.124 0.000 1.345 344 G CA -0.068 45.142 45.100 0.184 0.000 0.871 344 G HN 0.885 nan 8.290 nan 0.000 0.540 345 R N -1.565 119.022 120.500 0.145 0.000 2.902 345 R HA 0.742 5.082 4.340 0.000 0.000 0.264 345 R C 0.117 176.480 176.300 0.106 0.000 1.059 345 R CA -0.490 55.674 56.100 0.106 0.000 0.935 345 R CB 0.477 30.827 30.300 0.084 0.000 1.325 345 R HN 0.753 nan 8.270 nan 0.000 0.438 346 K N 0.598 121.059 120.400 0.102 0.000 2.569 346 K HA -0.152 4.168 4.320 0.000 0.000 0.280 346 K C -0.651 176.008 176.600 0.099 0.000 0.984 346 K CA 1.886 58.236 56.287 0.106 0.000 1.064 346 K CB -0.010 32.560 32.500 0.118 0.000 0.866 346 K HN 0.730 nan 8.250 nan 0.000 0.492 347 D N 0.446 120.893 120.400 0.077 0.000 2.074 347 D HA -0.183 4.457 4.640 0.000 0.000 0.214 347 D C -0.688 175.611 176.300 -0.002 0.000 1.279 347 D CA 1.535 55.560 54.000 0.043 0.000 1.539 347 D CB -1.123 39.722 40.800 0.075 0.000 1.415 347 D HN 0.723 nan 8.370 nan 0.000 0.630 348 N N 0.337 119.053 118.700 0.026 0.000 2.493 348 N HA 0.562 5.302 4.740 0.000 0.000 0.275 348 N C 0.772 176.242 175.510 -0.067 0.000 1.186 348 N CA -0.348 52.690 53.050 -0.020 0.000 0.978 348 N CB 1.143 39.715 38.487 0.141 0.000 1.184 348 N HN 0.028 nan 8.380 nan 0.000 0.487 349 L N -0.052 121.056 121.223 -0.193 0.000 2.640 349 L HA 0.288 4.628 4.340 0.000 0.000 0.230 349 L C 0.214 176.990 176.870 -0.156 0.000 1.123 349 L CA -0.299 54.430 54.840 -0.185 0.000 0.900 349 L CB 0.091 42.039 42.059 -0.185 0.000 1.146 349 L HN 0.452 nan 8.230 nan 0.000 0.484 350 W N 1.322 122.580 121.300 -0.070 0.000 2.089 350 W HA -0.005 4.655 4.660 0.000 0.000 0.355 350 W C 1.630 178.076 176.519 -0.122 0.000 1.305 350 W CA -0.378 56.901 57.345 -0.110 0.000 1.281 350 W CB 0.389 29.767 29.460 -0.138 0.000 1.183 350 W HN 0.087 nan 8.180 nan 0.000 0.604 351 E N 1.160 121.427 120.200 0.112 0.000 2.147 351 E HA -0.175 4.175 4.350 0.000 0.000 0.199 351 E C 2.116 178.705 176.600 -0.019 0.000 1.005 351 E CA 1.849 58.252 56.400 0.006 0.000 0.810 351 E CB -0.644 29.012 29.700 -0.074 0.000 0.736 351 E HN 0.682 nan 8.360 nan 0.000 0.460 352 G N 0.218 109.033 108.800 0.026 0.000 2.509 352 G HA2 -0.119 3.841 3.960 0.000 0.000 0.218 352 G HA3 -0.119 3.841 3.960 0.000 0.000 0.218 352 G C 1.509 176.449 174.900 0.068 0.000 1.124 352 G CA 0.788 45.913 45.100 0.041 0.000 0.776 352 G HN 0.385 nan 8.290 nan 0.000 0.547 353 G N 0.734 109.576 108.800 0.070 0.000 2.595 353 G HA2 0.134 4.094 3.960 0.000 0.000 0.213 353 G HA3 0.134 4.094 3.960 0.000 0.000 0.213 353 G C 1.610 176.533 174.900 0.039 0.000 1.141 353 G CA 0.828 45.966 45.100 0.064 0.000 0.806 353 G HN 0.576 nan 8.290 nan 0.000 0.530 354 I N -3.228 117.341 120.570 -0.001 0.000 3.883 354 I HA 0.462 4.632 4.170 0.000 0.000 0.305 354 I C 1.051 177.195 176.117 0.045 0.000 1.247 354 I CA -0.476 60.819 61.300 -0.009 0.000 1.350 354 I CB 0.332 38.185 38.000 -0.246 0.000 1.194 354 I HN -0.208 nan 8.210 nan 0.000 0.441 355 R N 2.993 123.457 120.500 -0.061 0.000 2.347 355 R HA 0.471 4.811 4.340 0.000 0.000 0.304 355 R C -0.748 175.533 176.300 -0.033 0.000 1.072 355 R CA 0.040 55.939 56.100 -0.334 0.000 0.980 355 R CB 1.017 30.911 30.300 -0.676 0.000 0.986 355 R HN 0.342 nan 8.270 nan 0.000 0.448 356 V N 1.499 121.500 119.914 0.144 0.000 3.159 356 V HA 0.650 4.770 4.120 0.000 0.000 0.308 356 V C -2.695 173.583 176.094 0.306 0.000 1.190 356 V CA -2.593 59.872 62.300 0.276 0.000 1.037 356 V CB 1.989 33.965 31.823 0.255 0.000 1.060 356 V HN 0.694 nan 8.190 nan 0.000 0.437 357 P HA 0.512 nan 4.420 nan 0.000 0.271 357 P C -0.640 176.708 177.300 0.080 0.000 1.218 357 P CA 0.293 63.233 63.100 -0.266 0.000 0.780 357 P CB 1.228 32.627 31.700 -0.503 0.000 0.901 358 A N 3.275 126.247 122.820 0.253 0.000 2.459 358 A HA 0.727 5.047 4.320 0.000 0.000 0.296 358 A C -1.053 176.818 177.584 0.479 0.000 1.039 358 A CA -0.555 51.579 52.037 0.162 0.000 0.698 358 A CB 0.937 19.704 19.000 -0.390 0.000 1.261 358 A HN 0.409 nan 8.150 nan 0.000 0.405 359 I N 2.391 123.215 120.570 0.422 0.000 2.582 359 I HA 0.526 4.696 4.170 0.000 0.000 0.292 359 I C -0.771 175.542 176.117 0.326 0.000 1.066 359 I CA -0.455 61.071 61.300 0.378 0.000 1.053 359 I CB 2.200 40.379 38.000 0.298 0.000 1.241 359 I HN 0.688 nan 8.210 nan 0.000 0.421 360 I N 5.991 126.763 120.570 0.337 0.000 2.465 360 I HA 0.454 4.624 4.170 0.000 0.000 0.291 360 I C -1.010 175.231 176.117 0.206 0.000 1.014 360 I CA -0.434 61.022 61.300 0.261 0.000 1.093 360 I CB 1.403 39.629 38.000 0.376 0.000 1.267 360 I HN 0.595 nan 8.210 nan 0.000 0.431 361 K N 6.261 126.770 120.400 0.183 0.000 2.371 361 K HA 0.353 4.673 4.320 0.000 0.000 0.251 361 K C -2.019 174.749 176.600 0.280 0.000 0.934 361 K CA -0.598 55.806 56.287 0.194 0.000 0.798 361 K CB 1.885 34.476 32.500 0.152 0.000 1.204 361 K HN 0.563 nan 8.250 nan 0.000 0.427 362 Y N 3.601 123.979 120.300 0.130 0.000 2.520 362 Y HA 0.245 4.795 4.550 0.000 0.000 0.339 362 Y C 0.176 176.213 175.900 0.229 0.000 1.113 362 Y CA -0.093 58.105 58.100 0.163 0.000 1.255 362 Y CB 0.321 38.872 38.460 0.152 0.000 1.099 362 Y HN 0.987 nan 8.280 nan 0.000 0.628 363 G N 4.005 112.928 108.800 0.206 0.000 2.665 363 G HA2 -0.435 3.525 3.960 0.000 0.000 0.326 363 G HA3 -0.435 3.525 3.960 0.000 0.000 0.326 363 G C 0.724 175.588 174.900 -0.060 0.000 1.231 363 G CA 1.135 46.260 45.100 0.042 0.000 0.992 363 G HN 0.464 nan 8.290 nan 0.000 0.549 364 K N 0.721 120.965 120.400 -0.261 0.000 2.373 364 K HA 0.318 4.638 4.320 0.000 0.000 0.202 364 K C 1.664 178.079 176.600 -0.309 0.000 1.025 364 K CA 0.314 56.450 56.287 -0.253 0.000 1.115 364 K CB 0.167 32.518 32.500 -0.248 0.000 0.858 364 K HN 0.630 nan 8.250 nan 0.000 0.525 365 H N -0.284 118.679 119.070 -0.178 0.000 2.529 365 H HA 0.103 4.659 4.556 0.000 0.000 0.277 365 H C 0.273 175.592 175.328 -0.016 0.000 0.999 365 H CA 0.614 56.563 56.048 -0.165 0.000 1.256 365 H CB 0.388 29.895 29.762 -0.424 0.000 1.402 365 H HN 0.058 nan 8.280 nan 0.000 0.566 366 L N 1.525 122.819 121.223 0.118 0.000 2.334 366 L HA 0.347 4.687 4.340 0.000 0.000 0.272 366 L C -2.218 174.691 176.870 0.065 0.000 1.020 366 L CA -2.279 52.637 54.840 0.128 0.000 0.812 366 L CB 1.448 43.614 42.059 0.178 0.000 1.264 366 L HN -0.195 nan 8.230 nan 0.000 0.439 367 P HA 0.051 nan 4.420 nan 0.000 0.265 367 P C -0.959 176.350 177.300 0.015 0.000 1.222 367 P CA -0.190 62.926 63.100 0.028 0.000 0.767 367 P CB 0.384 32.099 31.700 0.024 0.000 0.801 368 Q N 2.479 122.283 119.800 0.006 0.000 2.296 368 Q HA 0.412 4.752 4.340 0.000 0.000 0.263 368 Q C 1.326 177.319 176.000 -0.011 0.000 1.026 368 Q CA 1.243 57.047 55.803 0.001 0.000 0.912 368 Q CB -0.276 28.460 28.738 -0.004 0.000 1.198 368 Q HN 0.751 nan 8.270 nan 0.000 0.407 369 G N 3.233 112.022 108.800 -0.018 0.000 2.143 369 G HA2 -0.318 3.642 3.960 0.000 0.000 0.249 369 G HA3 -0.318 3.642 3.960 0.000 0.000 0.249 369 G C 0.101 174.972 174.900 -0.048 0.000 0.981 369 G CA 0.174 45.254 45.100 -0.033 0.000 0.665 369 G HN 0.588 nan 8.290 nan 0.000 0.528 370 M N 1.075 120.644 119.600 -0.052 0.000 2.228 370 M HA 0.504 4.984 4.480 0.000 0.000 0.351 370 M C 0.015 176.247 176.300 -0.113 0.000 1.233 370 M CA 0.033 55.292 55.300 -0.067 0.000 1.129 370 M CB 0.842 33.409 32.600 -0.055 0.000 1.604 370 M HN -0.010 nan 8.290 nan 0.000 0.457 371 V N 4.312 124.165 119.914 -0.101 0.000 2.417 371 V HA 0.413 4.534 4.120 0.000 0.000 0.291 371 V C -0.312 175.727 176.094 -0.092 0.000 1.024 371 V CA -0.518 61.710 62.300 -0.120 0.000 0.861 371 V CB 1.566 33.333 31.823 -0.094 0.000 0.985 371 V HN 0.888 nan 8.190 nan 0.000 0.436 372 S N 2.418 118.044 115.700 -0.123 0.000 2.473 372 S HA 0.427 4.897 4.470 0.000 0.000 0.307 372 S C 0.202 174.877 174.600 0.125 0.000 1.094 372 S CA -0.649 57.545 58.200 -0.010 0.000 1.070 372 S CB 1.280 64.458 63.200 -0.036 0.000 1.019 372 S HN 0.922 nan 8.310 nan 0.000 0.480 373 D N 2.643 123.123 120.400 0.133 0.000 2.402 373 D HA 0.083 4.723 4.640 0.000 0.000 0.216 373 D C -0.049 176.356 176.300 0.175 0.000 1.128 373 D CA -0.159 53.934 54.000 0.155 0.000 0.833 373 D CB -0.271 40.586 40.800 0.095 0.000 0.971 373 D HN 0.391 nan 8.370 nan 0.000 0.503 374 T N 3.058 117.740 114.554 0.213 0.000 2.853 374 T HA 0.209 4.559 4.350 0.000 0.000 0.298 374 T C -2.466 172.367 174.700 0.221 0.000 0.978 374 T CA -0.695 61.522 62.100 0.196 0.000 1.152 374 T CB 1.116 70.108 68.868 0.206 0.000 0.914 374 T HN 0.050 nan 8.240 nan 0.000 0.539 375 P HA 0.211 nan 4.420 nan 0.000 0.265 375 P C -0.636 176.756 177.300 0.154 0.000 1.222 375 P CA -0.175 63.051 63.100 0.209 0.000 0.767 375 P CB 0.270 32.060 31.700 0.150 0.000 0.801 376 V N 2.540 122.561 119.914 0.180 0.000 3.078 376 V HA 0.845 4.965 4.120 0.000 0.000 0.311 376 V C -0.976 175.177 176.094 0.097 0.000 1.138 376 V CA -1.214 61.125 62.300 0.065 0.000 1.007 376 V CB 1.987 33.726 31.823 -0.139 0.000 1.045 376 V HN 0.621 nan 8.190 nan 0.000 0.432 377 Y N -0.828 119.289 120.300 -0.306 0.000 2.728 377 Y HA 0.790 5.340 4.550 0.000 0.000 0.330 377 Y C 1.155 176.763 175.900 -0.487 0.000 1.234 377 Y CA -0.804 56.984 58.100 -0.520 0.000 1.070 377 Y CB 1.250 39.587 38.460 -0.205 0.000 1.300 377 Y HN 0.869 nan 8.280 nan 0.000 0.467 378 G N 1.030 109.599 108.800 -0.384 0.000 2.475 378 G HA2 -0.186 3.774 3.960 0.000 0.000 0.220 378 G HA3 -0.186 3.774 3.960 0.000 0.000 0.220 378 G C 0.996 175.729 174.900 -0.278 0.000 1.125 378 G CA 1.290 46.337 45.100 -0.088 0.000 0.755 378 G HN 0.605 nan 8.290 nan 0.000 0.565 379 L N 0.499 121.293 121.223 -0.714 0.000 2.275 379 L HA -0.009 4.331 4.340 0.000 0.000 0.215 379 L C 1.943 178.582 176.870 -0.385 0.000 1.119 379 L CA 0.676 55.166 54.840 -0.583 0.000 0.790 379 L CB -0.320 41.225 42.059 -0.858 0.000 0.919 379 L HN 0.095 nan 8.230 nan 0.000 0.443 380 D N -0.340 119.781 120.400 -0.465 0.000 2.264 380 D HA -0.158 4.482 4.640 0.000 0.000 0.208 380 D C 1.940 178.122 176.300 -0.197 0.000 0.966 380 D CA 0.979 54.794 54.000 -0.308 0.000 0.864 380 D CB -0.077 40.505 40.800 -0.363 0.000 0.933 380 D HN 0.435 nan 8.370 nan 0.000 0.499 381 W N 0.776 122.058 121.300 -0.030 0.000 2.355 381 W HA -0.190 4.470 4.660 0.000 0.000 0.309 381 W C 2.470 178.954 176.519 -0.058 0.000 1.206 381 W CA -0.051 57.282 57.345 -0.020 0.000 1.284 381 W CB -0.391 29.078 29.460 0.016 0.000 1.145 381 W HN -0.059 nan 8.180 nan 0.000 0.502 382 M N 1.641 121.337 119.600 0.160 0.000 2.115 382 M HA -0.166 4.314 4.480 0.000 0.000 0.258 382 M C -0.885 175.350 176.300 -0.108 0.000 1.071 382 M CA 2.126 57.448 55.300 0.037 0.000 1.100 382 M CB -1.950 30.668 32.600 0.030 0.000 1.292 382 M HN -0.297 nan 8.290 nan 0.000 0.415 383 P HA -0.058 nan 4.420 nan 0.000 0.223 383 P C 1.092 178.285 177.300 -0.179 0.000 1.151 383 P CA 1.443 64.398 63.100 -0.241 0.000 0.787 383 P CB -0.373 31.205 31.700 -0.203 0.000 0.788 384 T N 0.921 115.433 114.554 -0.070 0.000 2.701 384 T HA -0.043 4.307 4.350 0.000 0.000 0.263 384 T C 1.953 176.618 174.700 -0.059 0.000 1.040 384 T CA 1.134 63.231 62.100 -0.005 0.000 1.147 384 T CB -0.773 68.186 68.868 0.151 0.000 0.865 384 T HN 0.077 nan 8.240 nan 0.000 0.426 385 L N 0.844 122.038 121.223 -0.048 0.000 2.141 385 L HA -0.001 4.339 4.340 0.000 0.000 0.209 385 L C 3.040 179.631 176.870 -0.466 0.000 1.094 385 L CA 0.866 55.641 54.840 -0.109 0.000 0.763 385 L CB -0.717 41.356 42.059 0.023 0.000 0.908 385 L HN 0.229 nan 8.230 nan 0.000 0.437 386 A N -0.044 122.287 122.820 -0.816 0.000 1.908 386 A HA -0.235 4.085 4.320 0.000 0.000 0.218 386 A C 2.471 179.602 177.584 -0.756 0.000 1.181 386 A CA 1.747 52.914 52.037 -1.450 0.000 0.627 386 A CB -0.382 18.029 19.000 -0.982 0.000 0.818 386 A HN 0.193 nan 8.150 nan 0.000 0.445 387 K N -0.783 119.370 120.400 -0.413 0.000 2.031 387 K HA 0.018 4.339 4.320 0.000 0.000 0.205 387 K C 2.101 178.599 176.600 -0.171 0.000 1.049 387 K CA 1.539 57.686 56.287 -0.235 0.000 0.939 387 K CB -0.318 32.097 32.500 -0.142 0.000 0.717 387 K HN 0.572 nan 8.250 nan 0.000 0.438 388 M N -0.241 119.267 119.600 -0.153 0.000 2.175 388 M HA -0.085 4.395 4.480 0.000 0.000 0.264 388 M C 1.844 178.077 176.300 -0.112 0.000 1.063 388 M CA 1.529 56.767 55.300 -0.103 0.000 1.119 388 M CB -0.033 32.501 32.600 -0.110 0.000 1.377 388 M HN 0.052 nan 8.290 nan 0.000 0.415 389 M N -0.164 119.356 119.600 -0.133 0.000 2.371 389 M HA 0.148 4.628 4.480 0.000 0.000 0.246 389 M C -0.400 175.929 176.300 0.049 0.000 1.103 389 M CA -0.045 55.252 55.300 -0.005 0.000 1.010 389 M CB 0.171 32.842 32.600 0.119 0.000 1.457 389 M HN 0.207 nan 8.290 nan 0.000 0.486 390 N N 1.989 120.638 118.700 -0.086 0.000 2.696 390 N HA -0.185 4.555 4.740 0.000 0.000 0.256 390 N C -1.229 174.304 175.510 0.038 0.000 1.031 390 N CA 0.970 53.989 53.050 -0.051 0.000 0.730 390 N CB -1.964 36.530 38.487 0.012 0.000 0.894 390 N HN 0.504 nan 8.380 nan 0.000 0.544 391 F N -2.084 117.820 119.950 -0.077 0.000 2.576 391 F HA 0.726 5.253 4.527 0.000 0.000 0.313 391 F C 0.158 175.902 175.800 -0.094 0.000 1.078 391 F CA -1.638 56.312 58.000 -0.084 0.000 0.921 391 F CB 1.133 40.060 39.000 -0.122 0.000 1.232 391 F HN -0.281 nan 8.300 nan 0.000 0.459 392 K N 2.777 123.249 120.400 0.120 0.000 2.276 392 K HA 0.426 4.746 4.320 0.000 0.000 0.283 392 K C -0.622 176.009 176.600 0.051 0.000 1.044 392 K CA -0.302 55.992 56.287 0.012 0.000 0.944 392 K CB 0.781 33.295 32.500 0.023 0.000 1.012 392 K HN 0.761 nan 8.250 nan 0.000 0.472 393 L N 6.425 127.595 121.223 -0.089 0.000 2.416 393 L HA 0.185 4.525 4.340 0.000 0.000 0.272 393 L C -1.788 175.096 176.870 0.022 0.000 1.161 393 L CA -1.838 52.922 54.840 -0.133 0.000 0.845 393 L CB 0.593 42.404 42.059 -0.415 0.000 1.119 393 L HN 0.511 nan 8.230 nan 0.000 0.464 394 P HA -0.056 nan 4.420 nan 0.000 0.264 394 P C 0.373 177.823 177.300 0.250 0.000 1.179 394 P CA 0.291 63.521 63.100 0.216 0.000 0.763 394 P CB 0.455 32.334 31.700 0.297 0.000 0.806 395 T N -2.933 111.705 114.554 0.140 0.000 3.092 395 T HA 0.044 4.395 4.350 0.000 0.000 0.258 395 T C 0.566 175.312 174.700 0.076 0.000 1.031 395 T CA -0.076 62.090 62.100 0.109 0.000 0.925 395 T CB -0.301 68.603 68.868 0.060 0.000 1.036 395 T HN 0.376 nan 8.240 nan 0.000 0.544 396 D N 1.582 122.022 120.400 0.068 0.000 2.368 396 D HA 0.093 4.734 4.640 0.000 0.000 0.218 396 D C 0.669 176.958 176.300 -0.019 0.000 1.112 396 D CA -0.499 53.514 54.000 0.021 0.000 0.834 396 D CB 0.162 40.972 40.800 0.016 0.000 0.953 396 D HN 0.667 nan 8.370 nan 0.000 0.505 397 R N -1.966 118.508 120.500 -0.042 0.000 2.716 397 R HA 0.465 4.805 4.340 0.000 0.000 0.271 397 R C -1.397 174.760 176.300 -0.239 0.000 1.028 397 R CA -0.722 55.276 56.100 -0.170 0.000 0.883 397 R CB 0.107 30.238 30.300 -0.282 0.000 1.250 397 R HN -0.221 nan 8.270 nan 0.000 0.465 398 T N 1.990 116.384 114.554 -0.266 0.000 2.856 398 T HA 0.456 4.806 4.350 0.000 0.000 0.292 398 T C -0.779 173.685 174.700 -0.394 0.000 0.980 398 T CA 0.138 62.124 62.100 -0.190 0.000 1.091 398 T CB 0.114 68.927 68.868 -0.091 0.000 0.936 398 T HN 0.245 nan 8.240 nan 0.000 0.503 399 F N 0.943 120.893 119.950 0.000 0.000 2.522 399 F HA 0.393 4.920 4.527 0.000 0.000 0.324 399 F C 1.247 177.053 175.800 0.010 0.000 1.077 399 F CA -0.927 57.070 58.000 -0.004 0.000 0.944 399 F CB 1.656 40.646 39.000 -0.016 0.000 1.175 399 F HN 0.533 nan 8.300 nan 0.000 0.468 400 D N 0.856 121.367 120.400 0.186 0.000 2.388 400 D HA 0.122 4.762 4.640 0.000 0.000 0.208 400 D C 1.081 177.464 176.300 0.139 0.000 1.035 400 D CA 0.353 54.453 54.000 0.167 0.000 0.875 400 D CB 0.517 41.405 40.800 0.147 0.000 0.984 400 D HN 0.659 nan 8.370 nan 0.000 0.508 401 G N 0.384 109.219 108.800 0.058 0.000 2.563 401 G HA2 0.359 4.319 3.960 0.000 0.000 0.283 401 G HA3 0.359 4.319 3.960 0.000 0.000 0.283 401 G C -0.479 174.436 174.900 0.024 0.000 1.309 401 G CA -0.072 45.035 45.100 0.011 0.000 1.022 401 G HN -0.100 nan 8.290 nan 0.000 0.501 402 E N -1.364 118.835 120.200 -0.002 0.000 2.343 402 E HA 0.487 4.837 4.350 0.000 0.000 0.270 402 E C -0.398 176.175 176.600 -0.044 0.000 0.895 402 E CA -0.583 55.809 56.400 -0.014 0.000 0.767 402 E CB 1.985 31.692 29.700 0.011 0.000 1.248 402 E HN 0.465 nan 8.360 nan 0.000 0.440 403 S N 2.530 118.203 115.700 -0.045 0.000 2.533 403 S HA 0.100 4.570 4.470 0.000 0.000 0.282 403 S C 0.687 175.283 174.600 -0.007 0.000 1.304 403 S CA -0.205 57.971 58.200 -0.040 0.000 1.063 403 S CB 0.151 63.321 63.200 -0.049 0.000 0.881 403 S HN 0.554 nan 8.310 nan 0.000 0.493 404 L N 5.380 126.609 121.223 0.010 0.000 2.592 404 L HA 0.076 4.416 4.340 0.000 0.000 0.227 404 L C 1.893 178.836 176.870 0.122 0.000 1.127 404 L CA -0.084 54.790 54.840 0.057 0.000 0.884 404 L CB -0.338 41.735 42.059 0.023 0.000 1.065 404 L HN 0.569 nan 8.230 nan 0.000 0.457 405 V N 0.855 120.824 119.914 0.092 0.000 2.282 405 V HA -0.204 3.916 4.120 0.000 0.000 0.249 405 V C -0.062 176.091 176.094 0.098 0.000 1.057 405 V CA 2.081 64.440 62.300 0.099 0.000 1.032 405 V CB -1.562 30.296 31.823 0.060 0.000 0.645 405 V HN 0.393 nan 8.190 nan 0.000 0.447 406 P HA -0.106 nan 4.420 nan 0.000 0.216 406 P C 1.906 179.263 177.300 0.096 0.000 1.150 406 P CA 1.243 64.387 63.100 0.074 0.000 0.837 406 P CB -0.138 31.596 31.700 0.057 0.000 0.786 407 V N -0.333 119.657 119.914 0.126 0.000 2.287 407 V HA -0.241 3.879 4.120 0.000 0.000 0.248 407 V C 2.435 178.625 176.094 0.159 0.000 1.053 407 V CA 1.723 64.121 62.300 0.164 0.000 1.027 407 V CB -1.381 30.595 31.823 0.255 0.000 0.646 407 V HN 0.082 nan 8.190 nan 0.000 0.447 408 L N -0.308 121.022 121.223 0.180 0.000 2.201 408 L HA -0.125 4.215 4.340 0.000 0.000 0.212 408 L C 1.976 178.915 176.870 0.115 0.000 1.105 408 L CA 1.373 56.310 54.840 0.161 0.000 0.775 408 L CB -0.473 41.706 42.059 0.200 0.000 0.913 408 L HN 0.416 nan 8.230 nan 0.000 0.440 409 E N -0.297 119.964 120.200 0.102 0.000 2.419 409 E HA 0.037 4.388 4.350 0.000 0.000 0.190 409 E C -0.168 176.472 176.600 0.067 0.000 1.040 409 E CA -0.186 56.262 56.400 0.080 0.000 0.900 409 E CB 0.335 30.079 29.700 0.074 0.000 1.054 409 E HN 0.270 nan 8.360 nan 0.000 0.462 410 Q N 0.732 120.574 119.800 0.069 0.000 2.453 410 Q HA -0.229 4.111 4.340 0.000 0.000 0.294 410 Q C -0.611 175.422 176.000 0.055 0.000 1.295 410 Q CA 0.961 56.799 55.803 0.059 0.000 0.853 410 Q CB -0.964 27.802 28.738 0.047 0.000 1.193 410 Q HN 0.276 nan 8.270 nan 0.000 0.461 411 K N -0.622 119.814 120.400 0.060 0.000 2.258 411 K HA 0.748 5.068 4.320 0.000 0.000 0.236 411 K C -0.152 176.481 176.600 0.055 0.000 1.008 411 K CA -0.272 56.046 56.287 0.052 0.000 0.869 411 K CB 1.177 33.705 32.500 0.047 0.000 1.171 411 K HN 0.171 nan 8.250 nan 0.000 0.447 412 A N 1.195 124.043 122.820 0.047 0.000 2.425 412 A HA 0.203 4.523 4.320 0.000 0.000 0.249 412 A C -0.622 176.991 177.584 0.048 0.000 1.084 412 A CA -0.237 51.828 52.037 0.047 0.000 0.781 412 A CB -0.032 18.991 19.000 0.038 0.000 1.019 412 A HN 0.491 nan 8.150 nan 0.000 0.490 413 L N 2.814 124.070 121.223 0.054 0.000 2.259 413 L HA 0.301 4.641 4.340 0.000 0.000 0.288 413 L C 0.362 177.255 176.870 0.038 0.000 1.051 413 L CA -0.101 54.769 54.840 0.050 0.000 0.824 413 L CB 0.636 42.733 42.059 0.063 0.000 1.206 413 L HN 0.642 nan 8.230 nan 0.000 0.429 414 K N 6.077 126.494 120.400 0.029 0.000 2.316 414 K HA 0.268 4.588 4.320 0.000 0.000 0.289 414 K C -0.678 175.933 176.600 0.018 0.000 1.070 414 K CA -0.213 56.087 56.287 0.021 0.000 0.928 414 K CB 0.352 32.861 32.500 0.014 0.000 1.039 414 K HN 0.647 nan 8.250 nan 0.000 0.480 415 R N 3.820 124.330 120.500 0.018 0.000 2.310 415 R HA 0.112 4.452 4.340 0.000 0.000 0.324 415 R C 0.597 176.898 176.300 0.002 0.000 0.955 415 R CA -0.312 55.797 56.100 0.014 0.000 0.830 415 R CB 1.149 31.460 30.300 0.018 0.000 1.154 415 R HN 0.694 nan 8.270 nan 0.000 0.458 416 E N 1.996 122.190 120.200 -0.009 0.000 2.107 416 E HA -0.094 4.256 4.350 0.000 0.000 0.191 416 E C -0.163 176.407 176.600 -0.050 0.000 0.982 416 E CA 1.111 57.493 56.400 -0.031 0.000 0.809 416 E CB 0.327 30.001 29.700 -0.043 0.000 0.756 416 E HN 0.310 nan 8.360 nan 0.000 0.459 417 K N 0.962 121.338 120.400 -0.041 0.000 2.267 417 K HA 0.369 4.689 4.320 0.000 0.000 0.246 417 K C -2.663 173.956 176.600 0.031 0.000 0.954 417 K CA -2.293 53.961 56.287 -0.056 0.000 0.824 417 K CB 1.648 34.068 32.500 -0.132 0.000 1.167 417 K HN -0.200 nan 8.250 nan 0.000 0.431 418 P HA 0.069 nan 4.420 nan 0.000 0.272 418 P C -0.546 176.750 177.300 -0.006 0.000 1.240 418 P CA -0.344 62.790 63.100 0.057 0.000 0.791 418 P CB 0.434 32.196 31.700 0.103 0.000 0.978 419 L N 1.425 122.490 121.223 -0.262 0.000 2.426 419 L HA 0.297 4.637 4.340 0.000 0.000 0.271 419 L C 0.624 177.050 176.870 -0.738 0.000 1.169 419 L CA -0.030 54.341 54.840 -0.783 0.000 0.836 419 L CB -0.109 41.286 42.059 -1.107 0.000 1.112 419 L HN 0.348 nan 8.230 nan 0.000 0.465 420 I N 2.233 122.248 120.570 -0.924 0.000 2.498 420 I HA 0.512 4.682 4.170 0.000 0.000 0.290 420 I C -1.192 174.398 176.117 -0.878 0.000 1.032 420 I CA -0.057 60.813 61.300 -0.717 0.000 1.073 420 I CB 1.596 39.118 38.000 -0.796 0.000 1.251 420 I HN 0.247 nan 8.210 nan 0.000 0.426 421 F N 4.831 124.709 119.950 -0.121 0.000 2.588 421 F HA 0.911 5.438 4.527 0.000 0.000 0.314 421 F C 0.470 176.123 175.800 -0.245 0.000 1.069 421 F CA -0.731 57.175 58.000 -0.157 0.000 0.931 421 F CB 2.269 41.185 39.000 -0.140 0.000 1.260 421 F HN 0.497 nan 8.300 nan 0.000 0.465 422 G N 0.974 109.622 108.800 -0.252 0.000 2.698 422 G HA2 0.703 4.663 3.960 0.000 0.000 0.293 422 G HA3 0.703 4.663 3.960 0.000 0.000 0.293 422 G C -2.516 172.216 174.900 -0.281 0.000 1.437 422 G CA -0.727 44.063 45.100 -0.516 0.000 0.852 422 G HN 0.562 nan 8.290 nan 0.000 0.499 423 I N 0.257 120.749 120.570 -0.130 0.000 2.680 423 I HA 0.466 4.636 4.170 0.000 0.000 0.291 423 I C -1.935 174.099 176.117 -0.138 0.000 1.244 423 I CA -0.782 60.483 61.300 -0.059 0.000 1.042 423 I CB 2.586 40.505 38.000 -0.134 0.000 1.277 423 I HN 0.394 nan 8.210 nan 0.000 0.423 424 D N 7.935 128.182 120.400 -0.256 0.000 2.493 424 D HA 0.315 4.955 4.640 0.000 0.000 0.235 424 D C -0.974 175.005 176.300 -0.536 0.000 1.117 424 D CA -0.043 53.704 54.000 -0.422 0.000 0.930 424 D CB 0.444 40.893 40.800 -0.585 0.000 1.010 424 D HN 0.554 nan 8.370 nan 0.000 0.514 425 M N 5.385 124.699 119.600 -0.477 0.000 2.065 425 M HA 0.355 4.836 4.480 0.000 0.000 0.308 425 M C -2.690 173.406 176.300 -0.339 0.000 0.939 425 M CA -1.748 53.206 55.300 -0.576 0.000 0.890 425 M CB 1.704 34.019 32.600 -0.475 0.000 1.383 425 M HN 0.031 nan 8.290 nan 0.000 0.381 426 P HA 0.266 nan 4.420 nan 0.000 0.277 426 P C -0.384 176.744 177.300 -0.288 0.000 1.271 426 P CA 0.208 62.946 63.100 -0.603 0.000 0.795 426 P CB 0.314 31.209 31.700 -1.341 0.000 1.101 427 F N -4.282 115.722 119.950 0.089 0.000 2.953 427 F HA -0.190 4.337 4.527 0.000 0.000 0.292 427 F C 0.613 176.474 175.800 0.102 0.000 0.747 427 F CA 0.544 58.599 58.000 0.091 0.000 1.222 427 F CB -2.688 36.367 39.000 0.092 0.000 1.457 427 F HN 0.234 nan 8.300 nan 0.000 0.383 428 Q N 1.375 121.297 119.800 0.202 0.000 2.299 428 Q HA 0.154 4.494 4.340 0.000 0.000 0.246 428 Q C 1.312 177.386 176.000 0.122 0.000 0.935 428 Q CA -0.091 55.812 55.803 0.166 0.000 0.887 428 Q CB 0.829 29.644 28.738 0.129 0.000 1.223 428 Q HN 0.150 nan 8.270 nan 0.000 0.439 429 D N 0.920 121.383 120.400 0.105 0.000 2.103 429 D HA -0.134 4.506 4.640 0.000 0.000 0.190 429 D C -0.340 176.005 176.300 0.075 0.000 0.997 429 D CA 1.511 55.558 54.000 0.079 0.000 0.833 429 D CB 0.163 40.999 40.800 0.061 0.000 0.961 429 D HN 0.447 nan 8.370 nan 0.000 0.447 430 D N 1.430 121.878 120.400 0.080 0.000 2.347 430 D HA 0.216 4.856 4.640 0.000 0.000 0.235 430 D C -2.301 174.044 176.300 0.074 0.000 1.149 430 D CA -1.398 52.654 54.000 0.087 0.000 0.850 430 D CB 1.060 41.927 40.800 0.111 0.000 1.061 430 D HN -0.014 nan 8.370 nan 0.000 0.487 431 P HA -0.037 nan 4.420 nan 0.000 0.262 431 P C 0.240 177.538 177.300 -0.004 0.000 1.182 431 P CA 0.140 63.254 63.100 0.023 0.000 0.761 431 P CB 0.356 32.064 31.700 0.014 0.000 0.795 432 T N 0.034 114.566 114.554 -0.038 0.000 2.882 432 T HA 0.258 4.608 4.350 0.000 0.000 0.287 432 T C 0.113 174.746 174.700 -0.111 0.000 1.014 432 T CA -0.828 61.222 62.100 -0.083 0.000 1.049 432 T CB 0.743 69.551 68.868 -0.099 0.000 1.001 432 T HN 0.208 nan 8.240 nan 0.000 0.525 433 D N 0.261 120.570 120.400 -0.150 0.000 2.388 433 D HA 0.238 4.878 4.640 0.000 0.000 0.254 433 D C 0.870 177.097 176.300 -0.121 0.000 1.111 433 D CA -0.484 53.439 54.000 -0.128 0.000 0.993 433 D CB 1.794 42.505 40.800 -0.149 0.000 1.118 433 D HN 0.887 nan 8.370 nan 0.000 0.502 434 E N -0.513 119.646 120.200 -0.069 0.000 2.290 434 E HA 0.059 4.409 4.350 0.000 0.000 0.199 434 E C -0.539 175.930 176.600 -0.219 0.000 0.912 434 E CA 0.071 56.393 56.400 -0.130 0.000 0.924 434 E CB 0.562 30.226 29.700 -0.060 0.000 0.901 434 E HN 0.364 nan 8.360 nan 0.000 0.487 435 W N -0.139 121.125 121.300 -0.060 0.000 2.962 435 W HA 0.742 5.402 4.660 0.000 0.000 0.341 435 W C -0.924 175.519 176.519 -0.126 0.000 1.155 435 W CA -0.752 56.550 57.345 -0.072 0.000 1.165 435 W CB 1.738 31.162 29.460 -0.060 0.000 1.435 435 W HN -0.098 nan 8.180 nan 0.000 0.546 436 A N 2.304 125.262 122.820 0.231 0.000 2.520 436 A HA 0.838 5.158 4.320 0.000 0.000 0.298 436 A C -2.011 175.714 177.584 0.235 0.000 1.051 436 A CA -0.723 51.413 52.037 0.165 0.000 0.690 436 A CB 1.460 20.526 19.000 0.110 0.000 1.281 436 A HN 0.747 nan 8.150 nan 0.000 0.402 437 I N 1.015 121.678 120.570 0.156 0.000 2.498 437 I HA 0.695 4.865 4.170 0.000 0.000 0.290 437 I C -0.487 175.700 176.117 0.116 0.000 1.032 437 I CA -0.784 60.590 61.300 0.124 0.000 1.073 437 I CB 1.663 39.753 38.000 0.151 0.000 1.251 437 I HN 0.740 nan 8.210 nan 0.000 0.426 438 R N 4.954 125.491 120.500 0.062 0.000 2.360 438 R HA 0.452 4.793 4.340 0.000 0.000 0.318 438 R C -1.757 174.564 176.300 0.035 0.000 0.950 438 R CA -0.366 55.759 56.100 0.041 0.000 0.837 438 R CB 0.988 31.262 30.300 -0.044 0.000 1.165 438 R HN 0.463 nan 8.270 nan 0.000 0.458 439 D N 3.728 124.195 120.400 0.111 0.000 2.421 439 D HA 0.460 5.100 4.640 0.000 0.000 0.254 439 D C 0.525 176.932 176.300 0.178 0.000 1.238 439 D CA 0.919 54.992 54.000 0.122 0.000 0.919 439 D CB 1.308 42.186 40.800 0.130 0.000 1.152 439 D HN 0.744 nan 8.370 nan 0.000 0.552 440 G N 4.177 113.043 108.800 0.110 0.000 2.583 440 G HA2 -0.363 3.598 3.960 0.000 0.000 0.292 440 G HA3 -0.363 3.598 3.960 0.000 0.000 0.292 440 G C 0.813 175.738 174.900 0.042 0.000 1.203 440 G CA 0.448 45.604 45.100 0.094 0.000 0.987 440 G HN 0.521 nan 8.290 nan 0.000 0.554 441 D N 0.444 120.811 120.400 -0.055 0.000 2.312 441 D HA 0.059 4.699 4.640 0.000 0.000 0.211 441 D C 0.872 177.001 176.300 -0.285 0.000 0.964 441 D CA 0.709 54.564 54.000 -0.241 0.000 0.877 441 D CB -0.035 40.502 40.800 -0.438 0.000 0.924 441 D HN 0.380 nan 8.370 nan 0.000 0.515 442 W N 1.513 122.838 121.300 0.042 0.000 2.315 442 W HA 0.347 5.007 4.660 0.000 0.000 0.316 442 W C 0.772 177.324 176.519 0.054 0.000 1.211 442 W CA -0.771 56.605 57.345 0.052 0.000 1.201 442 W CB 1.057 30.541 29.460 0.040 0.000 1.184 442 W HN -0.437 nan 8.180 nan 0.000 0.544 443 K N 4.043 124.639 120.400 0.326 0.000 2.443 443 K HA 0.576 4.896 4.320 0.000 0.000 0.252 443 K C -1.325 175.399 176.600 0.207 0.000 0.933 443 K CA -0.786 55.638 56.287 0.228 0.000 0.792 443 K CB 1.461 34.085 32.500 0.206 0.000 1.185 443 K HN 0.667 nan 8.250 nan 0.000 0.425 444 M N 6.354 126.035 119.600 0.135 0.000 2.321 444 M HA 0.464 4.944 4.480 0.000 0.000 0.315 444 M C -1.580 174.736 176.300 0.028 0.000 1.052 444 M CA -0.714 54.621 55.300 0.058 0.000 0.936 444 M CB 1.183 33.801 32.600 0.030 0.000 1.639 444 M HN 0.584 nan 8.290 nan 0.000 0.433 445 I N 5.494 126.077 120.570 0.022 0.000 2.377 445 I HA 0.432 4.603 4.170 0.000 0.000 0.293 445 I C -0.675 175.377 176.117 -0.109 0.000 0.987 445 I CA -0.889 60.416 61.300 0.008 0.000 1.185 445 I CB 1.738 39.827 38.000 0.148 0.000 1.341 445 I HN 0.573 nan 8.210 nan 0.000 0.455 446 I N 4.840 125.316 120.570 -0.157 0.000 2.378 446 I HA 0.232 4.402 4.170 0.000 0.000 0.291 446 I C -0.196 175.874 176.117 -0.078 0.000 0.992 446 I CA -0.583 60.587 61.300 -0.217 0.000 1.154 446 I CB 1.408 39.094 38.000 -0.523 0.000 1.315 446 I HN 0.571 nan 8.210 nan 0.000 0.448 447 D N 5.955 126.296 120.400 -0.098 0.000 2.414 447 D HA 0.148 4.788 4.640 0.000 0.000 0.259 447 D C 0.722 177.029 176.300 0.011 0.000 1.269 447 D CA -0.399 53.559 54.000 -0.070 0.000 1.028 447 D CB 0.691 41.422 40.800 -0.115 0.000 1.093 447 D HN 0.372 nan 8.370 nan 0.000 0.545 448 R N -1.104 119.389 120.500 -0.013 0.000 2.339 448 R HA 0.063 4.403 4.340 0.000 0.000 0.199 448 R C 0.376 176.694 176.300 0.029 0.000 1.018 448 R CA 0.497 56.598 56.100 0.003 0.000 1.036 448 R CB -0.516 29.748 30.300 -0.059 0.000 0.899 448 R HN 0.484 nan 8.270 nan 0.000 0.473 449 N N 0.133 118.850 118.700 0.027 0.000 2.204 449 N HA 0.040 4.781 4.740 0.000 0.000 0.219 449 N C -0.373 175.179 175.510 0.070 0.000 1.151 449 N CA -0.218 52.853 53.050 0.035 0.000 0.867 449 N CB 0.584 39.073 38.487 0.002 0.000 1.043 449 N HN 0.001 nan 8.380 nan 0.000 0.516 450 N N 0.625 119.397 118.700 0.119 0.000 2.800 450 N HA -0.183 4.557 4.740 0.000 0.000 0.250 450 N C -1.272 174.333 175.510 0.159 0.000 1.078 450 N CA 0.985 54.149 53.050 0.190 0.000 0.804 450 N CB -0.647 37.971 38.487 0.218 0.000 1.135 450 N HN 0.299 nan 8.380 nan 0.000 0.565 451 K N 0.262 120.669 120.400 0.011 0.000 2.138 451 K HA 0.451 4.772 4.320 0.000 0.000 0.263 451 K C -2.540 173.925 176.600 -0.224 0.000 0.965 451 K CA -1.885 54.330 56.287 -0.120 0.000 0.868 451 K CB 1.236 33.657 32.500 -0.131 0.000 1.083 451 K HN -0.046 nan 8.250 nan 0.000 0.443 452 P HA -0.002 nan 4.420 nan 0.000 0.267 452 P C -0.215 176.895 177.300 -0.318 0.000 1.209 452 P CA 0.168 63.069 63.100 -0.332 0.000 0.763 452 P CB 0.770 32.240 31.700 -0.384 0.000 0.816 453 K N 2.289 122.473 120.400 -0.361 0.000 2.329 453 K HA 0.096 4.416 4.320 0.000 0.000 0.198 453 K C -0.325 175.840 176.600 -0.725 0.000 1.085 453 K CA 0.526 56.463 56.287 -0.582 0.000 0.961 453 K CB 0.387 32.424 32.500 -0.772 0.000 0.971 453 K HN 0.366 nan 8.250 nan 0.000 0.502 454 Y N 0.024 120.218 120.300 -0.177 0.000 2.512 454 Y HA 0.487 5.037 4.550 0.000 0.000 0.348 454 Y C -1.102 174.573 175.900 -0.375 0.000 0.990 454 Y CA -1.393 56.517 58.100 -0.316 0.000 1.033 454 Y CB 1.825 40.092 38.460 -0.322 0.000 1.259 454 Y HN -0.178 nan 8.280 nan 0.000 0.461 455 L N 3.414 124.443 121.223 -0.324 0.000 2.441 455 L HA 0.630 4.970 4.340 0.000 0.000 0.270 455 L C -2.198 174.537 176.870 -0.226 0.000 0.973 455 L CA -0.895 53.842 54.840 -0.171 0.000 0.842 455 L CB 0.738 42.775 42.059 -0.037 0.000 1.239 455 L HN 0.518 nan 8.230 nan 0.000 0.406 456 Y N 2.859 123.306 120.300 0.245 0.000 2.485 456 Y HA 0.496 5.046 4.550 0.000 0.000 0.345 456 Y C 0.246 176.225 175.900 0.131 0.000 0.998 456 Y CA -0.915 57.289 58.100 0.172 0.000 1.059 456 Y CB 1.611 40.130 38.460 0.099 0.000 1.234 456 Y HN 0.558 nan 8.280 nan 0.000 0.461 457 N N 3.049 121.820 118.700 0.118 0.000 2.439 457 N HA 0.190 4.930 4.740 0.000 0.000 0.249 457 N C 0.263 175.667 175.510 -0.176 0.000 1.003 457 N CA 0.049 52.910 53.050 -0.315 0.000 0.942 457 N CB 0.832 38.927 38.487 -0.654 0.000 1.115 457 N HN 0.840 nan 8.380 nan 0.000 0.505 458 L N 2.953 124.077 121.223 -0.165 0.000 2.291 458 L HA -0.051 4.289 4.340 0.000 0.000 0.214 458 L C 2.252 179.024 176.870 -0.163 0.000 1.120 458 L CA 0.802 55.564 54.840 -0.130 0.000 0.799 458 L CB -0.017 41.993 42.059 -0.081 0.000 0.925 458 L HN 0.512 nan 8.230 nan 0.000 0.446 459 K N 0.081 120.366 120.400 -0.192 0.000 2.116 459 K HA -0.096 4.224 4.320 0.000 0.000 0.203 459 K C 2.163 178.684 176.600 -0.132 0.000 1.052 459 K CA 1.416 57.610 56.287 -0.156 0.000 0.952 459 K CB 0.180 32.582 32.500 -0.164 0.000 0.729 459 K HN 0.284 nan 8.250 nan 0.000 0.446 460 S N -0.785 114.830 115.700 -0.141 0.000 2.517 460 S HA -0.002 4.468 4.470 0.000 0.000 0.214 460 S C 0.112 174.676 174.600 -0.060 0.000 0.991 460 S CA 0.034 58.182 58.200 -0.086 0.000 0.906 460 S CB 0.371 63.525 63.200 -0.076 0.000 0.789 460 S HN 0.214 nan 8.310 nan 0.000 0.513 461 D N 0.837 121.185 120.400 -0.087 0.000 2.517 461 D HA 0.285 4.925 4.640 0.000 0.000 0.263 461 D C 0.642 176.830 176.300 -0.188 0.000 1.233 461 D CA -0.461 53.493 54.000 -0.075 0.000 0.849 461 D CB 0.702 41.500 40.800 -0.004 0.000 1.261 461 D HN 0.070 nan 8.370 nan 0.000 0.516 462 R N 1.271 121.591 120.500 -0.301 0.000 2.120 462 R HA -0.127 4.213 4.340 0.000 0.000 0.234 462 R C 0.398 176.279 176.300 -0.698 0.000 1.123 462 R CA 1.410 57.166 56.100 -0.573 0.000 0.975 462 R CB 0.087 29.866 30.300 -0.868 0.000 0.866 462 R HN 0.377 nan 8.270 nan 0.000 0.446 463 Y N 0.324 120.508 120.300 -0.194 0.000 2.468 463 Y HA 0.245 4.795 4.550 0.000 0.000 0.268 463 Y C -0.238 175.412 175.900 -0.416 0.000 1.177 463 Y CA -0.167 57.781 58.100 -0.253 0.000 1.265 463 Y CB 0.312 38.654 38.460 -0.197 0.000 1.103 463 Y HN 0.087 nan 8.280 nan 0.000 0.522 464 E N 0.031 119.958 120.200 -0.455 0.000 2.320 464 E HA -0.218 4.132 4.350 0.000 0.000 0.234 464 E C 0.531 176.719 176.600 -0.686 0.000 1.183 464 E CA 0.759 56.537 56.400 -1.036 0.000 0.713 464 E CB -1.502 27.420 29.700 -1.296 0.000 1.226 464 E HN 0.598 nan 8.360 nan 0.000 0.382 465 T N -2.938 111.465 114.554 -0.251 0.000 3.054 465 T HA 0.318 4.668 4.350 0.000 0.000 0.255 465 T C 0.645 175.394 174.700 0.083 0.000 1.035 465 T CA -0.280 61.772 62.100 -0.080 0.000 0.941 465 T CB 0.324 69.150 68.868 -0.071 0.000 1.026 465 T HN 0.179 nan 8.240 nan 0.000 0.533 466 L N 2.639 123.972 121.223 0.183 0.000 2.502 466 L HA 0.457 4.797 4.340 0.000 0.000 0.247 466 L C -0.217 176.854 176.870 0.334 0.000 1.180 466 L CA -0.852 54.118 54.840 0.216 0.000 0.956 466 L CB 0.513 42.658 42.059 0.144 0.000 1.282 466 L HN 0.075 nan 8.230 nan 0.000 0.470 467 N N 1.946 120.841 118.700 0.324 0.000 2.454 467 N HA 0.072 4.812 4.740 0.000 0.000 0.260 467 N C 0.408 175.980 175.510 0.104 0.000 1.218 467 N CA 0.382 53.538 53.050 0.176 0.000 0.904 467 N CB 1.093 39.705 38.487 0.208 0.000 1.065 467 N HN 0.489 nan 8.380 nan 0.000 0.462 468 L N 3.774 125.029 121.223 0.054 0.000 2.728 468 L HA 0.285 4.625 4.340 0.000 0.000 0.238 468 L C 0.327 177.206 176.870 0.015 0.000 1.143 468 L CA -0.399 54.486 54.840 0.076 0.000 0.937 468 L CB 0.121 42.280 42.059 0.166 0.000 1.225 468 L HN 0.450 nan 8.230 nan 0.000 0.507 469 I N 1.607 122.160 120.570 -0.027 0.000 2.668 469 I HA 0.023 4.193 4.170 0.000 0.000 0.285 469 I C 1.491 177.582 176.117 -0.043 0.000 1.168 469 I CA 1.219 62.481 61.300 -0.064 0.000 1.424 469 I CB 0.079 38.016 38.000 -0.105 0.000 1.377 469 I HN 0.453 nan 8.210 nan 0.000 0.560 470 G N 6.112 114.881 108.800 -0.052 0.000 2.176 470 G HA2 -0.293 3.667 3.960 0.000 0.000 0.253 470 G HA3 -0.293 3.667 3.960 0.000 0.000 0.253 470 G C 0.904 175.792 174.900 -0.020 0.000 0.979 470 G CA 0.278 45.355 45.100 -0.039 0.000 0.641 470 G HN 0.640 nan 8.290 nan 0.000 0.530 471 K N -0.996 119.398 120.400 -0.010 0.000 2.450 471 K HA 0.225 4.545 4.320 0.000 0.000 0.206 471 K C 0.502 177.107 176.600 0.009 0.000 1.148 471 K CA -0.120 56.173 56.287 0.010 0.000 1.014 471 K CB 0.807 33.328 32.500 0.036 0.000 0.966 471 K HN 0.068 nan 8.250 nan 0.000 0.566 472 K N 1.374 121.763 120.400 -0.017 0.000 2.920 472 K HA 0.209 4.529 4.320 0.000 0.000 0.175 472 K C -2.610 173.934 176.600 -0.094 0.000 1.099 472 K CA -1.469 54.790 56.287 -0.046 0.000 0.939 472 K CB 1.728 34.198 32.500 -0.051 0.000 1.148 472 K HN -0.195 nan 8.250 nan 0.000 0.613 473 P HA -0.127 nan 4.420 nan 0.000 0.217 473 P C 0.633 177.882 177.300 -0.086 0.000 1.150 473 P CA 1.143 64.201 63.100 -0.070 0.000 0.832 473 P CB 0.485 32.156 31.700 -0.047 0.000 0.787 474 D N -1.040 119.302 120.400 -0.096 0.000 2.117 474 D HA -0.096 4.544 4.640 0.000 0.000 0.198 474 D C 1.941 178.141 176.300 -0.166 0.000 0.982 474 D CA 0.859 54.795 54.000 -0.107 0.000 0.828 474 D CB -0.581 40.164 40.800 -0.091 0.000 0.967 474 D HN 0.026 nan 8.370 nan 0.000 0.464 475 I N 1.155 121.569 120.570 -0.261 0.000 2.252 475 I HA -0.164 4.006 4.170 0.000 0.000 0.245 475 I C 2.126 178.066 176.117 -0.296 0.000 1.102 475 I CA 1.091 62.130 61.300 -0.434 0.000 1.385 475 I CB -0.986 36.512 38.000 -0.837 0.000 1.064 475 I HN 0.123 nan 8.210 nan 0.000 0.414 476 E N 0.760 120.839 120.200 -0.202 0.000 2.058 476 E HA -0.282 4.068 4.350 0.000 0.000 0.194 476 E C 2.148 178.720 176.600 -0.047 0.000 0.997 476 E CA 1.484 57.812 56.400 -0.120 0.000 0.801 476 E CB -0.047 29.587 29.700 -0.109 0.000 0.746 476 E HN 0.249 nan 8.360 nan 0.000 0.450 477 K N 1.166 121.539 120.400 -0.046 0.000 2.026 477 K HA -0.202 4.118 4.320 0.000 0.000 0.208 477 K C 2.057 178.661 176.600 0.007 0.000 1.048 477 K CA 1.580 57.870 56.287 0.005 0.000 0.929 477 K CB -0.009 32.478 32.500 -0.022 0.000 0.713 477 K HN 0.041 nan 8.250 nan 0.000 0.439 478 Q N -0.901 118.867 119.800 -0.053 0.000 2.079 478 Q HA -0.087 4.253 4.340 0.000 0.000 0.200 478 Q C 2.067 178.048 176.000 -0.031 0.000 0.974 478 Q CA 1.573 57.340 55.803 -0.061 0.000 0.840 478 Q CB -0.049 28.622 28.738 -0.110 0.000 0.898 478 Q HN 0.299 nan 8.270 nan 0.000 0.430 479 M N -0.980 118.602 119.600 -0.030 0.000 2.156 479 M HA -0.147 4.333 4.480 0.000 0.000 0.264 479 M C 2.021 178.403 176.300 0.137 0.000 1.067 479 M CA 1.327 56.646 55.300 0.031 0.000 1.131 479 M CB -0.782 31.820 32.600 0.005 0.000 1.368 479 M HN 0.245 nan 8.290 nan 0.000 0.416 480 Y N 1.209 121.507 120.300 -0.003 0.000 2.181 480 Y HA -0.075 4.475 4.550 0.000 0.000 0.288 480 Y C 2.341 178.277 175.900 0.060 0.000 1.146 480 Y CA 1.571 59.702 58.100 0.051 0.000 1.164 480 Y CB -0.940 37.523 38.460 0.006 0.000 0.982 480 Y HN 0.234 nan 8.280 nan 0.000 0.515 481 G N -0.108 108.671 108.800 -0.034 0.000 2.418 481 G HA2 -0.265 3.695 3.960 0.000 0.000 0.217 481 G HA3 -0.265 3.695 3.960 0.000 0.000 0.217 481 G C 1.782 176.598 174.900 -0.140 0.000 1.158 481 G CA 0.948 45.962 45.100 -0.142 0.000 0.771 481 G HN 0.364 nan 8.290 nan 0.000 0.545 482 K N -0.594 119.774 120.400 -0.054 0.000 2.057 482 K HA -0.038 4.282 4.320 0.000 0.000 0.207 482 K C 2.155 178.747 176.600 -0.014 0.000 1.049 482 K CA 1.142 57.409 56.287 -0.034 0.000 0.931 482 K CB -0.325 32.185 32.500 0.017 0.000 0.714 482 K HN 0.326 nan 8.250 nan 0.000 0.440 483 F N 2.065 121.952 119.950 -0.104 0.000 2.069 483 F HA -0.199 4.328 4.527 0.000 0.000 0.298 483 F C 1.737 177.369 175.800 -0.280 0.000 1.113 483 F CA 1.407 59.312 58.000 -0.158 0.000 1.214 483 F CB -0.412 38.503 39.000 -0.142 0.000 0.978 483 F HN -0.105 nan 8.300 nan 0.000 0.474 484 L N 0.376 121.176 121.223 -0.706 0.000 2.042 484 L HA -0.255 4.085 4.340 0.000 0.000 0.210 484 L C 2.691 179.219 176.870 -0.570 0.000 1.076 484 L CA 1.944 56.299 54.840 -0.809 0.000 0.749 484 L CB -0.848 40.836 42.059 -0.625 0.000 0.893 484 L HN 0.190 nan 8.230 nan 0.000 0.432 485 K N -0.331 119.842 120.400 -0.377 0.000 2.032 485 K HA -0.257 4.063 4.320 0.000 0.000 0.209 485 K C 2.227 178.682 176.600 -0.240 0.000 1.048 485 K CA 1.746 57.872 56.287 -0.269 0.000 0.927 485 K CB -0.295 32.078 32.500 -0.211 0.000 0.712 485 K HN 0.253 nan 8.250 nan 0.000 0.441 486 Y N 0.982 121.064 120.300 -0.362 0.000 2.200 486 Y HA -0.239 4.311 4.550 0.000 0.000 0.290 486 Y C 2.561 178.222 175.900 -0.398 0.000 1.137 486 Y CA 1.457 59.374 58.100 -0.306 0.000 1.163 486 Y CB 0.150 38.475 38.460 -0.225 0.000 0.988 486 Y HN 0.093 nan 8.280 nan 0.000 0.518 487 K N -0.336 119.724 120.400 -0.565 0.000 2.026 487 K HA -0.233 4.087 4.320 0.000 0.000 0.208 487 K C 2.230 178.641 176.600 -0.315 0.000 1.048 487 K CA 1.913 57.764 56.287 -0.726 0.000 0.929 487 K CB -0.462 31.227 32.500 -1.351 0.000 0.713 487 K HN 0.317 nan 8.250 nan 0.000 0.439 488 T N 0.115 114.490 114.554 -0.298 0.000 2.788 488 T HA -0.146 4.204 4.350 0.000 0.000 0.268 488 T C 1.376 176.024 174.700 -0.086 0.000 1.044 488 T CA 1.786 63.786 62.100 -0.167 0.000 1.139 488 T CB -0.318 68.449 68.868 -0.168 0.000 0.867 488 T HN 0.225 nan 8.240 nan 0.000 0.454 489 D N 0.837 121.193 120.400 -0.075 0.000 2.117 489 D HA 0.019 4.659 4.640 0.000 0.000 0.197 489 D C 2.106 178.429 176.300 0.038 0.000 0.987 489 D CA 1.024 55.008 54.000 -0.026 0.000 0.829 489 D CB -0.331 40.440 40.800 -0.048 0.000 0.961 489 D HN 0.490 nan 8.370 nan 0.000 0.460 490 I N 1.042 121.669 120.570 0.095 0.000 2.202 490 I HA -0.231 3.939 4.170 0.000 0.000 0.242 490 I C 1.740 177.938 176.117 0.135 0.000 1.091 490 I CA 1.055 62.444 61.300 0.147 0.000 1.368 490 I CB -0.071 38.069 38.000 0.233 0.000 1.058 490 I HN -0.147 nan 8.210 nan 0.000 0.410 491 D N 0.644 121.114 120.400 0.117 0.000 2.178 491 D HA -0.137 4.504 4.640 0.000 0.000 0.202 491 D C 1.247 177.577 176.300 0.049 0.000 0.974 491 D CA 1.192 55.254 54.000 0.103 0.000 0.841 491 D CB -0.476 40.370 40.800 0.077 0.000 0.953 491 D HN 0.409 nan 8.370 nan 0.000 0.478 492 N N 0.688 119.400 118.700 0.021 0.000 2.346 492 N HA -0.010 4.731 4.740 0.000 0.000 0.225 492 N C -0.434 175.076 175.510 0.000 0.000 1.144 492 N CA -0.297 52.754 53.050 0.002 0.000 0.837 492 N CB 0.320 38.796 38.487 -0.018 0.000 1.069 492 N HN 0.084 nan 8.380 nan 0.000 0.487 493 D N 0.357 120.765 120.400 0.014 0.000 2.487 493 D HA -0.054 4.586 4.640 0.000 0.000 0.243 493 D C 1.329 177.620 176.300 -0.015 0.000 1.154 493 D CA 0.068 54.068 54.000 -0.001 0.000 0.876 493 D CB 0.817 41.623 40.800 0.010 0.000 1.161 493 D HN 0.188 nan 8.370 nan 0.000 0.478 494 S N 3.363 119.046 115.700 -0.030 0.000 2.402 494 S HA -0.207 4.263 4.470 0.000 0.000 0.229 494 S C 1.790 176.369 174.600 -0.034 0.000 1.021 494 S CA 0.287 58.468 58.200 -0.031 0.000 0.974 494 S CB -0.265 62.914 63.200 -0.035 0.000 0.800 494 S HN 0.554 nan 8.310 nan 0.000 0.484 495 L N 1.365 122.558 121.223 -0.049 0.000 2.072 495 L HA 0.186 4.526 4.340 0.000 0.000 0.205 495 L C 2.642 179.493 176.870 -0.032 0.000 1.079 495 L CA 1.977 56.787 54.840 -0.051 0.000 0.752 495 L CB -0.644 41.365 42.059 -0.083 0.000 0.906 495 L HN 0.485 nan 8.230 nan 0.000 0.436 496 M N -0.960 118.626 119.600 -0.023 0.000 2.108 496 M HA -0.293 4.187 4.480 0.000 0.000 0.261 496 M C 2.259 178.556 176.300 -0.005 0.000 1.066 496 M CA 1.932 57.228 55.300 -0.007 0.000 1.107 496 M CB -0.186 32.419 32.600 0.008 0.000 1.356 496 M HN 0.141 nan 8.290 nan 0.000 0.406 497 K N 0.104 120.500 120.400 -0.008 0.000 2.057 497 K HA -0.108 4.212 4.320 0.000 0.000 0.207 497 K C 1.960 178.555 176.600 -0.009 0.000 1.049 497 K CA 1.453 57.736 56.287 -0.007 0.000 0.931 497 K CB -0.266 32.228 32.500 -0.009 0.000 0.714 497 K HN 0.527 nan 8.250 nan 0.000 0.440 498 A N 1.785 124.597 122.820 -0.013 0.000 2.019 498 A HA -0.187 4.133 4.320 0.000 0.000 0.219 498 A C 1.797 179.374 177.584 -0.010 0.000 1.164 498 A CA 1.492 53.521 52.037 -0.013 0.000 0.644 498 A CB -0.469 18.520 19.000 -0.017 0.000 0.805 498 A HN 0.431 nan 8.150 nan 0.000 0.449 499 R N -1.387 119.107 120.500 -0.010 0.000 2.334 499 R HA 0.362 4.702 4.340 0.000 0.000 0.220 499 R C 1.010 177.308 176.300 -0.004 0.000 0.917 499 R CA 0.625 56.720 56.100 -0.008 0.000 1.073 499 R CB -0.575 29.719 30.300 -0.009 0.000 1.056 499 R HN 0.696 nan 8.270 nan 0.000 0.506 500 G N 0.682 109.480 108.800 -0.003 0.000 2.147 500 G HA2 -0.220 3.740 3.960 0.000 0.000 0.244 500 G HA3 -0.220 3.740 3.960 0.000 0.000 0.244 500 G C -0.750 174.152 174.900 0.003 0.000 1.005 500 G CA 0.264 45.364 45.100 -0.001 0.000 0.713 500 G HN 0.459 nan 8.290 nan 0.000 0.515 501 D N 0.162 120.564 120.400 0.004 0.000 2.384 501 D HA 0.731 5.372 4.640 0.000 0.000 0.250 501 D C 0.577 176.884 176.300 0.012 0.000 1.029 501 D CA 0.023 54.028 54.000 0.009 0.000 0.990 501 D CB 1.356 42.162 40.800 0.010 0.000 1.175 501 D HN 0.599 nan 8.370 nan 0.000 0.532 502 K N -1.033 119.378 120.400 0.017 0.000 2.533 502 K HA 0.598 4.919 4.320 0.000 0.000 0.272 502 K C -3.143 173.470 176.600 0.021 0.000 0.985 502 K CA -1.756 54.543 56.287 0.019 0.000 0.876 502 K CB 1.414 33.924 32.500 0.017 0.000 1.452 502 K HN -0.071 nan 8.250 nan 0.000 0.439 503 P HA 0.094 nan 4.420 nan 0.000 0.267 503 P C -1.331 175.963 177.300 -0.009 0.000 1.205 503 P CA 0.068 63.170 63.100 0.003 0.000 0.765 503 P CB 0.421 32.136 31.700 0.025 0.000 0.828 504 E N 1.700 121.885 120.200 -0.024 0.000 2.216 504 E HA 0.492 4.842 4.350 0.000 0.000 0.260 504 E C -0.443 176.111 176.600 -0.078 0.000 0.880 504 E CA -1.029 55.369 56.400 -0.002 0.000 0.765 504 E CB 1.780 31.528 29.700 0.079 0.000 1.174 504 E HN 0.431 nan 8.360 nan 0.000 0.417 505 A N 2.682 125.435 122.820 -0.111 0.000 2.561 505 A HA 0.060 4.380 4.320 0.000 0.000 0.234 505 A C 0.393 177.777 177.584 -0.334 0.000 1.055 505 A CA -0.186 51.722 52.037 -0.214 0.000 0.756 505 A CB 0.245 19.155 19.000 -0.151 0.000 0.986 505 A HN 0.448 nan 8.150 nan 0.000 0.505 506 V N 3.288 122.857 119.914 -0.575 0.000 2.470 506 V HA 0.208 4.328 4.120 0.000 0.000 0.276 506 V C 1.501 177.123 176.094 -0.788 0.000 1.040 506 V CA 1.108 62.739 62.300 -1.115 0.000 1.008 506 V CB 0.570 31.751 31.823 -1.071 0.000 0.990 506 V HN 1.145 nan 8.190 nan 0.000 0.477 507 T N -0.023 114.144 114.554 -0.645 0.000 3.040 507 T HA 0.137 4.488 4.350 0.000 0.000 0.266 507 T C -0.005 174.895 174.700 0.332 0.000 1.005 507 T CA -0.494 61.605 62.100 -0.001 0.000 0.906 507 T CB -0.041 68.923 68.868 0.160 0.000 1.082 507 T HN 0.627 nan 8.240 nan 0.000 0.531 508 W N 1.049 122.561 121.300 0.352 0.000 2.415 508 W HA 0.858 5.518 4.660 0.000 0.000 0.355 508 W C 0.306 177.099 176.519 0.456 0.000 1.161 508 W CA -1.281 56.257 57.345 0.322 0.000 1.315 508 W CB 0.571 30.151 29.460 0.200 0.000 1.261 508 W HN 0.144 nan 8.180 nan 0.000 0.636 509 G N 0.000 109.041 108.800 0.401 0.000 5.446 509 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 509 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 509 G CA 0.000 45.138 45.100 0.063 0.000 0.502 509 G HN 0.000 nan 8.290 nan 0.000 0.925