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 3fuq_1_A DATA FIRST_RESID 868 DATA SEQUENCE DNSILDMRYE NNKFIDISGY GSNISINGDV YIYSTNRNQF GIYSSKPSEV DATA SEQUENCE NIAQNNDIIY NGRYQNFSIS FWVRIPKYFN KVNLNNEYTI IDCIRNNNSG DATA SEQUENCE WKISLNYNKI IWTLQDTAGN NQKLVFNYTQ MISISDYINK WIFVTITNNR DATA SEQUENCE LGNSRIYING NLIDEKSISN LGDIHVSDNI LFKIVGCNDT RYVGIRYFKV DATA SEQUENCE FDTELGKTEI ETLYSDEPDP SILKDFWGNY LLYNKRYYLL NLLRTDKSIT DATA SEQUENCE QNSNFLNINQ QRGVYQKPNI FSNTRLYTGV EVIIRKNXXX XXXNTDNFVR DATA SEQUENCE KNDLAYINVV DRDVEYRLYA DISIAKPEKI IKLIRTXXXX XXLGQIIVMD DATA SEQUENCE SIGNNCTMNF QNNNGGNIGL LGFHSNNLVA SSWYYNNIRK NTSSNGCFWS DATA SEQUENCE FISKEHGWQE N 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 868 D HA 0.000 nan 4.640 nan 0.000 0.175 868 D C 0.000 176.379 176.300 0.132 0.000 2.045 868 D CA 0.000 54.071 54.000 0.118 0.000 0.868 868 D CB 0.000 40.882 40.800 0.136 0.000 0.688 869 N N 0.761 119.571 118.700 0.183 0.000 2.300 869 N HA 0.049 4.538 4.740 -0.418 0.000 0.231 869 N C -0.644 174.966 175.510 0.166 0.000 1.406 869 N CA -0.189 52.966 53.050 0.175 0.000 1.064 869 N CB 0.645 39.236 38.487 0.173 0.000 1.280 869 N HN 0.188 nan 8.380 nan 0.000 0.547 870 S N 0.781 116.483 115.700 0.005 0.000 2.592 870 S HA 0.321 4.540 4.470 -0.418 0.000 0.271 870 S C 1.306 175.780 174.600 -0.209 0.000 1.326 870 S CA -0.907 57.035 58.200 -0.430 0.000 1.024 870 S CB 0.758 63.421 63.200 -0.896 0.000 0.921 870 S HN 0.417 nan 8.310 nan 0.000 0.527 871 I N -0.651 119.746 120.570 -0.287 0.000 3.793 871 I HA 0.502 4.421 4.170 -0.418 0.000 0.315 871 I C 0.012 175.956 176.117 -0.289 0.000 1.275 871 I CA 0.017 61.071 61.300 -0.409 0.000 1.214 871 I CB -0.152 37.495 38.000 -0.587 0.000 1.018 871 I HN 0.479 nan 8.210 nan 0.000 0.439 872 L N 1.501 122.620 121.223 -0.174 0.000 2.705 872 L HA 0.451 4.540 4.340 -0.418 0.000 0.260 872 L C -2.387 174.462 176.870 -0.035 0.000 0.921 872 L CA -0.371 54.455 54.840 -0.025 0.000 0.948 872 L CB 2.064 44.156 42.059 0.055 0.000 1.427 872 L HN 0.028 nan 8.230 nan 0.000 0.432 873 D N 5.645 126.087 120.400 0.070 0.000 2.375 873 D HA 0.261 4.650 4.640 -0.418 0.000 0.241 873 D C -1.042 175.376 176.300 0.196 0.000 1.361 873 D CA -0.204 53.859 54.000 0.105 0.000 0.995 873 D CB 1.503 42.342 40.800 0.064 0.000 1.312 873 D HN 0.533 nan 8.370 nan 0.000 0.576 874 M N 3.991 123.765 119.600 0.290 0.000 2.146 874 M HA 0.400 4.630 4.480 -0.418 0.000 0.357 874 M C -0.782 175.703 176.300 0.308 0.000 1.261 874 M CA -0.115 55.363 55.300 0.295 0.000 1.106 874 M CB 0.415 33.198 32.600 0.305 0.000 1.612 874 M HN 0.104 nan 8.290 nan 0.000 0.470 875 R N 3.745 124.398 120.500 0.256 0.000 2.867 875 R HA 0.373 4.462 4.340 -0.418 0.000 0.268 875 R C -1.842 174.554 176.300 0.161 0.000 1.014 875 R CA -0.672 55.559 56.100 0.217 0.000 0.946 875 R CB 1.490 31.888 30.300 0.163 0.000 1.208 875 R HN 0.747 nan 8.270 nan 0.000 0.477 876 Y N 1.014 121.257 120.300 -0.095 0.000 2.356 876 Y HA 0.355 4.653 4.550 -0.419 0.000 0.334 876 Y C -0.783 174.994 175.900 -0.204 0.000 0.958 876 Y CA -0.211 57.669 58.100 -0.368 0.000 1.196 876 Y CB 1.041 39.138 38.460 -0.605 0.000 1.137 876 Y HN 0.471 nan 8.280 nan 0.000 0.485 877 E N 3.921 123.820 120.200 -0.502 0.000 2.314 877 E HA 0.203 4.303 4.350 -0.418 0.000 0.272 877 E C -0.849 175.492 176.600 -0.431 0.000 0.884 877 E CA -1.257 54.943 56.400 -0.333 0.000 0.753 877 E CB 1.656 31.269 29.700 -0.146 0.000 1.213 877 E HN 0.630 nan 8.360 nan 0.000 0.432 878 N N 2.349 120.867 118.700 -0.303 0.000 2.714 878 N HA -0.265 4.224 4.740 -0.418 0.000 0.253 878 N C -1.137 174.170 175.510 -0.339 0.000 1.024 878 N CA 1.259 54.163 53.050 -0.242 0.000 0.726 878 N CB -1.674 36.716 38.487 -0.162 0.000 0.908 878 N HN 0.868 nan 8.380 nan 0.000 0.542 879 N N -1.971 116.441 118.700 -0.480 0.000 2.725 879 N HA -0.294 4.195 4.740 -0.418 0.000 0.249 879 N C -0.998 174.182 175.510 -0.550 0.000 1.103 879 N CA 1.571 54.369 53.050 -0.421 0.000 0.707 879 N CB -0.709 37.708 38.487 -0.117 0.000 1.043 879 N HN 0.991 nan 8.380 nan 0.000 0.553 880 K N -1.571 118.200 120.400 -1.048 0.000 2.587 880 K HA 0.465 4.534 4.320 -0.418 0.000 0.276 880 K C -1.396 174.809 176.600 -0.658 0.000 0.956 880 K CA -0.900 55.037 56.287 -0.582 0.000 0.857 880 K CB 0.786 33.154 32.500 -0.220 0.000 1.431 880 K HN -0.124 nan 8.250 nan 0.000 0.420 881 F N 1.650 121.535 119.950 -0.110 0.000 2.389 881 F HA 0.566 4.841 4.527 -0.421 0.000 0.337 881 F C 0.485 176.245 175.800 -0.067 0.000 1.112 881 F CA -0.293 57.675 58.000 -0.054 0.000 1.192 881 F CB 1.093 40.048 39.000 -0.075 0.000 1.185 881 F HN 0.466 nan 8.300 nan 0.000 0.552 882 I N 1.409 122.067 120.570 0.146 0.000 2.841 882 I HA 0.220 4.139 4.170 -0.418 0.000 0.298 882 I C -1.655 174.535 176.117 0.122 0.000 1.304 882 I CA -0.742 60.614 61.300 0.094 0.000 1.019 882 I CB 2.000 40.014 38.000 0.023 0.000 1.282 882 I HN 0.490 nan 8.210 nan 0.000 0.432 883 D N 6.873 127.341 120.400 0.114 0.000 2.453 883 D HA 0.205 4.594 4.640 -0.418 0.000 0.223 883 D C 1.170 177.535 176.300 0.109 0.000 1.183 883 D CA -0.360 53.718 54.000 0.129 0.000 0.933 883 D CB 0.404 41.285 40.800 0.135 0.000 1.038 883 D HN 0.493 nan 8.370 nan 0.000 0.513 884 I N 0.769 121.402 120.570 0.106 0.000 3.334 884 I HA -0.054 3.866 4.170 -0.418 0.000 0.282 884 I C 1.395 177.566 176.117 0.089 0.000 1.313 884 I CA 0.376 61.728 61.300 0.087 0.000 1.396 884 I CB -0.325 37.726 38.000 0.085 0.000 1.054 884 I HN 0.210 nan 8.210 nan 0.000 0.495 885 S N 0.996 116.759 115.700 0.105 0.000 2.481 885 S HA 0.130 4.349 4.470 -0.418 0.000 0.231 885 S C 1.859 176.539 174.600 0.133 0.000 0.996 885 S CA 0.473 58.742 58.200 0.114 0.000 0.942 885 S CB -0.625 62.646 63.200 0.118 0.000 0.768 885 S HN 0.862 nan 8.310 nan 0.000 0.520 886 G N 0.119 108.988 108.800 0.116 0.000 2.153 886 G HA2 -0.369 3.340 3.960 -0.418 0.000 0.252 886 G HA3 -0.369 3.340 3.960 -0.418 0.000 0.252 886 G C 0.245 175.195 174.900 0.084 0.000 0.994 886 G CA 0.552 45.702 45.100 0.082 0.000 0.698 886 G HN 0.601 nan 8.290 nan 0.000 0.521 887 Y N 0.173 120.494 120.300 0.036 0.000 2.395 887 Y HA 0.322 4.622 4.550 -0.418 0.000 0.293 887 Y C 2.234 178.153 175.900 0.032 0.000 1.123 887 Y CA 1.988 60.109 58.100 0.035 0.000 1.227 887 Y CB 0.409 38.892 38.460 0.039 0.000 1.012 887 Y HN 1.052 nan 8.280 nan 0.000 0.552 888 G N -0.384 108.522 108.800 0.177 0.000 2.145 888 G HA2 -0.183 3.526 3.960 -0.418 0.000 0.145 888 G HA3 -0.183 3.526 3.960 -0.418 0.000 0.145 888 G C -0.163 174.810 174.900 0.122 0.000 1.017 888 G CA 0.088 45.256 45.100 0.113 0.000 0.682 888 G HN 0.194 nan 8.290 nan 0.000 0.504 889 S N 0.700 116.484 115.700 0.140 0.000 2.585 889 S HA 0.614 4.833 4.470 -0.418 0.000 0.277 889 S C 0.187 174.842 174.600 0.092 0.000 1.241 889 S CA -0.617 57.651 58.200 0.113 0.000 1.041 889 S CB 1.001 64.278 63.200 0.128 0.000 0.987 889 S HN 0.392 nan 8.310 nan 0.000 0.512 890 N N 1.711 120.454 118.700 0.073 0.000 2.405 890 N HA 0.538 5.027 4.740 -0.418 0.000 0.299 890 N C -0.945 174.601 175.510 0.059 0.000 1.075 890 N CA -0.312 52.774 53.050 0.060 0.000 0.884 890 N CB 1.357 39.870 38.487 0.044 0.000 1.194 890 N HN 0.455 nan 8.380 nan 0.000 0.491 891 I N 0.552 121.159 120.570 0.060 0.000 2.545 891 I HA 0.320 4.239 4.170 -0.418 0.000 0.292 891 I C -0.015 176.133 176.117 0.052 0.000 1.040 891 I CA -0.689 60.638 61.300 0.046 0.000 1.068 891 I CB 2.014 40.050 38.000 0.059 0.000 1.251 891 I HN 0.460 nan 8.210 nan 0.000 0.424 892 S N 5.998 121.711 115.700 0.020 0.000 2.599 892 S HA 0.765 4.984 4.470 -0.418 0.000 0.287 892 S C -0.881 173.733 174.600 0.023 0.000 1.105 892 S CA -0.775 57.451 58.200 0.042 0.000 0.899 892 S CB 2.590 65.809 63.200 0.032 0.000 1.100 892 S HN 0.631 nan 8.310 nan 0.000 0.482 893 I N 1.272 121.887 120.570 0.075 0.000 2.693 893 I HA 0.589 4.508 4.170 -0.418 0.000 0.303 893 I C -1.390 174.771 176.117 0.074 0.000 1.025 893 I CA -0.775 60.575 61.300 0.083 0.000 1.086 893 I CB 1.890 40.007 38.000 0.195 0.000 1.268 893 I HN 0.798 nan 8.210 nan 0.000 0.440 894 N N 3.654 122.398 118.700 0.075 0.000 2.336 894 N HA 0.489 4.978 4.740 -0.418 0.000 0.290 894 N C -0.215 175.348 175.510 0.088 0.000 1.058 894 N CA 0.788 53.880 53.050 0.070 0.000 0.865 894 N CB 2.377 40.896 38.487 0.053 0.000 1.581 894 N HN 1.057 nan 8.380 nan 0.000 0.480 895 G N 2.899 111.746 108.800 0.079 0.000 2.539 895 G HA2 -0.260 3.449 3.960 -0.418 0.000 0.256 895 G HA3 -0.260 3.449 3.960 -0.418 0.000 0.256 895 G C -1.118 173.847 174.900 0.108 0.000 1.233 895 G CA -0.105 45.045 45.100 0.083 0.000 0.936 895 G HN 0.630 nan 8.290 nan 0.000 0.571 896 D N 0.184 120.663 120.400 0.131 0.000 2.329 896 D HA 0.545 4.934 4.640 -0.418 0.000 0.232 896 D C -0.162 176.330 176.300 0.319 0.000 1.088 896 D CA -0.066 54.039 54.000 0.174 0.000 0.835 896 D CB 1.814 42.665 40.800 0.085 0.000 1.078 896 D HN 0.410 nan 8.370 nan 0.000 0.495 897 V N 3.666 123.748 119.914 0.281 0.000 2.407 897 V HA 0.170 4.039 4.120 -0.418 0.000 0.291 897 V C -0.789 175.473 176.094 0.279 0.000 1.018 897 V CA -0.997 61.489 62.300 0.310 0.000 0.842 897 V CB 0.937 32.922 31.823 0.269 0.000 0.996 897 V HN 0.476 nan 8.190 nan 0.000 0.426 898 Y N 6.362 126.767 120.300 0.175 0.000 2.442 898 Y HA 0.406 4.704 4.550 -0.421 0.000 0.330 898 Y C -0.127 175.815 175.900 0.070 0.000 1.129 898 Y CA -0.232 57.912 58.100 0.073 0.000 1.365 898 Y CB 0.541 38.971 38.460 -0.050 0.000 1.233 898 Y HN 0.401 nan 8.280 nan 0.000 0.529 899 I N 7.971 128.160 120.570 -0.635 0.000 2.389 899 I HA 0.135 4.054 4.170 -0.418 0.000 0.288 899 I C -0.710 175.030 176.117 -0.628 0.000 0.999 899 I CA -1.220 59.791 61.300 -0.483 0.000 1.129 899 I CB 0.703 38.382 38.000 -0.536 0.000 1.288 899 I HN 0.627 nan 8.210 nan 0.000 0.444 900 Y N 3.778 123.869 120.300 -0.349 0.000 2.497 900 Y HA -0.061 4.244 4.550 -0.409 0.000 0.334 900 Y C 1.971 177.822 175.900 -0.082 0.000 1.199 900 Y CA 0.376 58.394 58.100 -0.137 0.000 1.425 900 Y CB 1.013 39.524 38.460 0.085 0.000 1.291 900 Y HN 0.713 nan 8.280 nan 0.000 0.562 901 S N -0.840 114.922 115.700 0.104 0.000 2.395 901 S HA -0.158 4.061 4.470 -0.418 0.000 0.225 901 S C 1.786 176.520 174.600 0.224 0.000 1.027 901 S CA 1.123 59.392 58.200 0.115 0.000 0.965 901 S CB -0.747 62.506 63.200 0.088 0.000 0.812 901 S HN 0.849 nan 8.310 nan 0.000 0.482 902 T N -0.956 113.792 114.554 0.323 0.000 2.951 902 T HA 0.108 4.207 4.350 -0.418 0.000 0.268 902 T C 0.671 175.633 174.700 0.436 0.000 1.073 902 T CA 0.810 63.186 62.100 0.461 0.000 1.134 902 T CB -0.429 68.747 68.868 0.513 0.000 0.884 902 T HN 0.404 nan 8.240 nan 0.000 0.479 903 N N 0.468 119.320 118.700 0.254 0.000 2.621 903 N HA 0.224 4.713 4.740 -0.418 0.000 0.271 903 N C 0.396 175.943 175.510 0.063 0.000 1.181 903 N CA -0.529 52.588 53.050 0.113 0.000 0.805 903 N CB 1.204 39.578 38.487 -0.187 0.000 1.351 903 N HN -0.037 nan 8.380 nan 0.000 0.539 904 R N 1.231 121.793 120.500 0.102 0.000 2.249 904 R HA 0.005 4.094 4.340 -0.418 0.000 0.230 904 R C 0.655 176.978 176.300 0.039 0.000 1.121 904 R CA 0.491 56.645 56.100 0.090 0.000 0.997 904 R CB -0.121 30.289 30.300 0.184 0.000 0.867 904 R HN 0.512 nan 8.270 nan 0.000 0.465 905 N N 1.267 119.943 118.700 -0.040 0.000 2.467 905 N HA -0.039 4.450 4.740 -0.418 0.000 0.184 905 N C -0.162 175.251 175.510 -0.161 0.000 1.106 905 N CA 0.371 53.346 53.050 -0.126 0.000 0.892 905 N CB 0.353 38.618 38.487 -0.369 0.000 0.969 905 N HN 0.395 nan 8.380 nan 0.000 0.454 906 Q N 0.589 120.280 119.800 -0.182 0.000 2.303 906 Q HA 0.312 4.401 4.340 -0.418 0.000 0.257 906 Q C -0.883 175.309 176.000 0.321 0.000 0.941 906 Q CA -0.423 55.272 55.803 -0.181 0.000 0.931 906 Q CB 0.857 29.190 28.738 -0.675 0.000 1.215 906 Q HN 0.123 nan 8.270 nan 0.000 0.437 907 F N -1.019 119.089 119.950 0.265 0.000 2.603 907 F HA 0.910 5.187 4.527 -0.417 0.000 0.317 907 F C -0.183 175.857 175.800 0.399 0.000 1.066 907 F CA -1.302 56.883 58.000 0.309 0.000 0.941 907 F CB 1.262 40.399 39.000 0.228 0.000 1.291 907 F HN 0.393 nan 8.300 nan 0.000 0.472 908 G N 1.560 110.621 108.800 0.436 0.000 2.482 908 G HA2 0.679 4.389 3.960 -0.418 0.000 0.317 908 G HA3 0.679 4.389 3.960 -0.418 0.000 0.317 908 G C -1.483 173.450 174.900 0.054 0.000 1.241 908 G CA -1.139 44.061 45.100 0.167 0.000 0.967 908 G HN 1.034 nan 8.290 nan 0.000 0.482 909 I N -1.167 119.386 120.570 -0.028 0.000 2.646 909 I HA 0.699 4.618 4.170 -0.418 0.000 0.299 909 I C -1.279 174.752 176.117 -0.143 0.000 1.036 909 I CA -1.377 59.927 61.300 0.007 0.000 1.074 909 I CB 2.071 40.187 38.000 0.193 0.000 1.258 909 I HN 0.374 nan 8.210 nan 0.000 0.430 910 Y N 1.847 122.247 120.300 0.167 0.000 2.534 910 Y HA 0.420 4.721 4.550 -0.415 0.000 0.329 910 Y C 1.506 177.464 175.900 0.096 0.000 1.154 910 Y CA -0.457 57.727 58.100 0.140 0.000 1.192 910 Y CB 1.892 40.410 38.460 0.096 0.000 1.275 910 Y HN 0.706 nan 8.280 nan 0.000 0.491 911 S N -1.703 114.136 115.700 0.232 0.000 2.492 911 S HA -0.001 4.218 4.470 -0.418 0.000 0.218 911 S C 0.960 175.613 174.600 0.088 0.000 1.016 911 S CA 0.598 58.861 58.200 0.104 0.000 0.916 911 S CB -0.208 62.989 63.200 -0.005 0.000 0.791 911 S HN 0.479 nan 8.310 nan 0.000 0.513 912 S N 1.638 117.401 115.700 0.105 0.000 2.540 912 S HA 0.299 4.518 4.470 -0.418 0.000 0.218 912 S C 0.136 174.759 174.600 0.039 0.000 0.977 912 S CA -0.549 57.684 58.200 0.055 0.000 0.918 912 S CB -0.030 63.194 63.200 0.040 0.000 0.806 912 S HN 0.783 nan 8.310 nan 0.000 0.496 913 K N 0.408 120.843 120.400 0.058 0.000 2.536 913 K HA 0.511 4.580 4.320 -0.418 0.000 0.269 913 K C -3.646 172.995 176.600 0.068 0.000 0.965 913 K CA -2.393 53.912 56.287 0.030 0.000 0.860 913 K CB 0.293 32.773 32.500 -0.033 0.000 1.423 913 K HN -0.303 nan 8.250 nan 0.000 0.438 914 P HA -0.044 nan 4.420 nan 0.000 0.258 914 P C -1.052 176.315 177.300 0.112 0.000 1.172 914 P CA 0.509 63.651 63.100 0.070 0.000 0.762 914 P CB 0.385 32.113 31.700 0.048 0.000 0.764 915 S N 2.712 118.497 115.700 0.143 0.000 2.584 915 S HA 0.462 4.681 4.470 -0.418 0.000 0.282 915 S C -1.582 173.120 174.600 0.170 0.000 1.138 915 S CA -0.661 57.660 58.200 0.202 0.000 0.987 915 S CB 0.398 63.799 63.200 0.336 0.000 1.137 915 S HN 0.571 nan 8.310 nan 0.000 0.457 916 E N 2.147 122.435 120.200 0.146 0.000 2.392 916 E HA 0.574 4.673 4.350 -0.418 0.000 0.281 916 E C -2.022 174.609 176.600 0.052 0.000 1.088 916 E CA -1.046 55.426 56.400 0.120 0.000 0.850 916 E CB 1.068 30.822 29.700 0.090 0.000 1.267 916 E HN 0.386 nan 8.360 nan 0.000 0.438 917 V N 1.562 121.488 119.914 0.020 0.000 2.577 917 V HA 0.502 4.371 4.120 -0.418 0.000 0.303 917 V C -1.001 175.084 176.094 -0.016 0.000 1.042 917 V CA -0.779 61.403 62.300 -0.196 0.000 0.872 917 V CB 1.634 33.023 31.823 -0.725 0.000 0.998 917 V HN 0.750 nan 8.190 nan 0.000 0.423 918 N N 3.693 122.364 118.700 -0.049 0.000 2.346 918 N HA 0.612 5.101 4.740 -0.418 0.000 0.289 918 N C -1.229 174.288 175.510 0.011 0.000 1.027 918 N CA -0.475 52.587 53.050 0.021 0.000 0.864 918 N CB 1.499 39.989 38.487 0.005 0.000 1.370 918 N HN 0.634 nan 8.380 nan 0.000 0.481 919 I N 2.363 122.972 120.570 0.064 0.000 2.312 919 I HA 0.411 4.330 4.170 -0.418 0.000 0.290 919 I C 0.066 176.213 176.117 0.050 0.000 1.008 919 I CA -0.847 60.498 61.300 0.076 0.000 1.226 919 I CB 1.522 39.622 38.000 0.166 0.000 1.371 919 I HN 0.595 nan 8.210 nan 0.000 0.468 920 A N 7.184 130.028 122.820 0.040 0.000 2.391 920 A HA 0.328 4.397 4.320 -0.418 0.000 0.316 920 A C 0.129 177.736 177.584 0.039 0.000 1.381 920 A CA -0.493 51.558 52.037 0.023 0.000 0.998 920 A CB -0.072 18.939 19.000 0.019 0.000 1.147 920 A HN 0.735 nan 8.150 nan 0.000 0.545 921 Q N 1.893 121.712 119.800 0.032 0.000 2.361 921 Q HA -0.010 4.079 4.340 -0.418 0.000 0.276 921 Q C 0.346 176.365 176.000 0.031 0.000 1.022 921 Q CA -0.096 55.730 55.803 0.038 0.000 0.898 921 Q CB 0.723 29.468 28.738 0.012 0.000 1.246 921 Q HN 0.816 nan 8.270 nan 0.000 0.410 922 N N 2.161 120.896 118.700 0.058 0.000 2.407 922 N HA -0.094 4.395 4.740 -0.418 0.000 0.250 922 N C 0.380 175.911 175.510 0.035 0.000 1.236 922 N CA 0.028 53.125 53.050 0.079 0.000 0.879 922 N CB 0.619 39.216 38.487 0.183 0.000 1.088 922 N HN 0.510 nan 8.380 nan 0.000 0.450 923 N N 2.669 121.389 118.700 0.033 0.000 2.192 923 N HA -0.168 4.321 4.740 -0.418 0.000 0.188 923 N C 0.407 175.915 175.510 -0.003 0.000 1.013 923 N CA 1.133 54.190 53.050 0.013 0.000 0.863 923 N CB -0.118 38.383 38.487 0.024 0.000 0.990 923 N HN 0.623 nan 8.380 nan 0.000 0.430 924 D N 0.787 121.215 120.400 0.047 0.000 2.350 924 D HA -0.040 4.349 4.640 -0.418 0.000 0.216 924 D C 1.693 177.940 176.300 -0.089 0.000 0.968 924 D CA 0.404 54.443 54.000 0.066 0.000 0.894 924 D CB 0.119 41.049 40.800 0.217 0.000 0.909 924 D HN 0.562 nan 8.370 nan 0.000 0.520 925 I N -2.671 117.752 120.570 -0.244 0.000 3.976 925 I HA 0.239 4.158 4.170 -0.418 0.000 0.337 925 I C 0.377 175.965 176.117 -0.881 0.000 1.359 925 I CA -0.180 60.689 61.300 -0.717 0.000 1.098 925 I CB 0.142 37.881 38.000 -0.434 0.000 1.027 925 I HN -0.281 nan 8.210 nan 0.000 0.394 926 I N 3.025 123.332 120.570 -0.438 0.000 2.213 926 I HA 0.151 4.070 4.170 -0.418 0.000 0.295 926 I C -0.266 175.755 176.117 -0.160 0.000 1.172 926 I CA -0.506 60.656 61.300 -0.230 0.000 1.443 926 I CB -0.553 37.414 38.000 -0.054 0.000 1.491 926 I HN 0.099 nan 8.210 nan 0.000 0.652 927 Y N 3.722 124.045 120.300 0.038 0.000 2.652 927 Y HA -0.065 4.234 4.550 -0.419 0.000 0.344 927 Y C 1.383 177.316 175.900 0.054 0.000 1.254 927 Y CA 0.384 58.494 58.100 0.016 0.000 1.480 927 Y CB 0.101 38.524 38.460 -0.062 0.000 1.345 927 Y HN 0.456 nan 8.280 nan 0.000 0.617 928 N N -0.052 118.735 118.700 0.145 0.000 2.631 928 N HA 0.064 4.553 4.740 -0.418 0.000 0.255 928 N C 1.036 176.528 175.510 -0.029 0.000 1.037 928 N CA 0.740 53.757 53.050 -0.056 0.000 0.919 928 N CB -0.001 38.281 38.487 -0.342 0.000 1.708 928 N HN 0.820 nan 8.380 nan 0.000 0.530 929 G N 1.158 109.954 108.800 -0.008 0.000 2.413 929 G HA2 -0.051 3.658 3.960 -0.418 0.000 0.300 929 G HA3 -0.051 3.658 3.960 -0.418 0.000 0.300 929 G C 0.677 175.520 174.900 -0.096 0.000 1.370 929 G CA 0.344 45.417 45.100 -0.045 0.000 1.110 929 G HN 0.564 nan 8.290 nan 0.000 0.596 930 R N -1.962 118.371 120.500 -0.278 0.000 2.472 930 R HA 0.321 4.410 4.340 -0.418 0.000 0.279 930 R C 0.059 176.048 176.300 -0.519 0.000 0.953 930 R CA 0.007 55.852 56.100 -0.425 0.000 1.088 930 R CB 0.239 30.184 30.300 -0.591 0.000 1.197 930 R HN 0.468 nan 8.270 nan 0.000 0.536 931 Y N -0.155 120.175 120.300 0.050 0.000 2.499 931 Y HA 0.252 4.551 4.550 -0.419 0.000 0.253 931 Y C 0.252 176.167 175.900 0.025 0.000 1.105 931 Y CA -0.960 57.163 58.100 0.039 0.000 1.240 931 Y CB 0.488 38.965 38.460 0.029 0.000 1.289 931 Y HN 0.042 nan 8.280 nan 0.000 0.534 932 Q N 2.539 122.408 119.800 0.115 0.000 2.324 932 Q HA 0.168 4.257 4.340 -0.418 0.000 0.257 932 Q C -0.752 175.274 176.000 0.043 0.000 1.080 932 Q CA 0.146 55.943 55.803 -0.010 0.000 0.907 932 Q CB -0.078 28.518 28.738 -0.237 0.000 1.274 932 Q HN 0.115 nan 8.270 nan 0.000 0.434 933 N N 3.561 122.294 118.700 0.055 0.000 2.525 933 N HA 0.414 4.903 4.740 -0.418 0.000 0.271 933 N C -0.797 174.798 175.510 0.141 0.000 1.194 933 N CA 0.088 53.192 53.050 0.090 0.000 0.964 933 N CB 0.398 38.900 38.487 0.026 0.000 1.126 933 N HN 0.549 nan 8.380 nan 0.000 0.452 934 F N -2.234 117.660 119.950 -0.094 0.000 2.693 934 F HA 0.734 5.011 4.527 -0.417 0.000 0.309 934 F C -0.916 174.841 175.800 -0.072 0.000 1.129 934 F CA -0.959 56.999 58.000 -0.071 0.000 0.948 934 F CB 0.890 39.853 39.000 -0.063 0.000 1.315 934 F HN 0.213 nan 8.300 nan 0.000 0.447 935 S N 1.422 117.103 115.700 -0.032 0.000 2.588 935 S HA 0.878 5.097 4.470 -0.418 0.000 0.275 935 S C -1.078 173.509 174.600 -0.022 0.000 1.130 935 S CA -0.657 57.412 58.200 -0.217 0.000 0.855 935 S CB 2.133 65.221 63.200 -0.186 0.000 1.116 935 S HN 0.995 nan 8.310 nan 0.000 0.472 936 I N -0.564 119.892 120.570 -0.189 0.000 2.769 936 I HA 0.918 4.837 4.170 -0.418 0.000 0.298 936 I C -0.754 175.314 176.117 -0.082 0.000 1.128 936 I CA -0.653 60.581 61.300 -0.110 0.000 1.031 936 I CB 2.382 40.266 38.000 -0.193 0.000 1.235 936 I HN 0.659 nan 8.210 nan 0.000 0.423 937 S N 4.224 119.944 115.700 0.033 0.000 2.564 937 S HA 0.947 5.166 4.470 -0.418 0.000 0.274 937 S C -0.866 173.936 174.600 0.336 0.000 1.124 937 S CA -0.607 57.586 58.200 -0.012 0.000 0.869 937 S CB 1.989 65.245 63.200 0.094 0.000 1.105 937 S HN 1.342 nan 8.310 nan 0.000 0.472 938 F N -2.727 117.326 119.950 0.172 0.000 2.829 938 F HA 0.746 5.030 4.527 -0.406 0.000 0.319 938 F C -2.643 173.441 175.800 0.474 0.000 1.153 938 F CA -1.651 56.649 58.000 0.500 0.000 0.912 938 F CB 0.044 39.438 39.000 0.656 0.000 1.292 938 F HN 0.660 nan 8.300 nan 0.000 0.447 939 W N 1.752 123.415 121.300 0.604 0.000 2.627 939 W HA 0.801 5.140 4.660 -0.534 0.000 0.339 939 W C -0.968 175.976 176.519 0.708 0.000 1.058 939 W CA -1.262 56.406 57.345 0.538 0.000 1.223 939 W CB 1.825 31.586 29.460 0.502 0.000 1.389 939 W HN 0.547 nan 8.180 nan 0.000 0.541 940 V N 3.139 123.549 119.914 0.827 0.000 2.841 940 V HA 0.682 4.551 4.120 -0.418 0.000 0.310 940 V C -1.267 175.006 176.094 0.298 0.000 1.090 940 V CA -1.349 61.318 62.300 0.610 0.000 0.930 940 V CB 1.954 34.109 31.823 0.553 0.000 1.014 940 V HN 0.603 nan 8.190 nan 0.000 0.425 941 R N 5.699 126.136 120.500 -0.106 0.000 2.439 941 R HA 0.703 4.793 4.340 -0.418 0.000 0.310 941 R C -1.646 174.542 176.300 -0.187 0.000 0.955 941 R CA -0.513 55.346 56.100 -0.401 0.000 0.853 941 R CB 1.424 30.995 30.300 -1.215 0.000 1.171 941 R HN 0.756 nan 8.270 nan 0.000 0.449 942 I N 6.663 127.175 120.570 -0.095 0.000 2.382 942 I HA 0.390 4.309 4.170 -0.418 0.000 0.285 942 I C -2.123 173.900 176.117 -0.158 0.000 1.007 942 I CA -2.672 58.576 61.300 -0.086 0.000 1.142 942 I CB 1.947 39.977 38.000 0.050 0.000 1.289 942 I HN 0.440 nan 8.210 nan 0.000 0.453 943 P HA -0.016 nan 4.420 nan 0.000 0.269 943 P C -0.511 176.626 177.300 -0.271 0.000 1.217 943 P CA -0.409 62.540 63.100 -0.253 0.000 0.783 943 P CB 0.547 32.017 31.700 -0.383 0.000 0.898 944 K N 1.814 122.142 120.400 -0.120 0.000 2.448 944 K HA 0.047 4.116 4.320 -0.418 0.000 0.278 944 K C -0.735 175.823 176.600 -0.069 0.000 1.009 944 K CA 0.101 56.317 56.287 -0.118 0.000 0.995 944 K CB -0.058 32.230 32.500 -0.354 0.000 0.917 944 K HN 0.293 nan 8.250 nan 0.000 0.481 945 Y N 4.127 124.504 120.300 0.129 0.000 2.335 945 Y HA 0.122 4.421 4.550 -0.418 0.000 0.331 945 Y C 0.362 176.410 175.900 0.247 0.000 1.094 945 Y CA -0.254 57.914 58.100 0.113 0.000 1.253 945 Y CB 0.484 39.091 38.460 0.245 0.000 1.203 945 Y HN 0.553 nan 8.280 nan 0.000 0.508 946 F N -0.788 119.318 119.950 0.261 0.000 2.825 946 F HA 0.507 4.782 4.527 -0.420 0.000 0.322 946 F C -0.592 175.305 175.800 0.161 0.000 1.127 946 F CA -0.796 57.374 58.000 0.283 0.000 1.164 946 F CB 0.045 39.194 39.000 0.249 0.000 1.101 946 F HN 0.181 nan 8.300 nan 0.000 0.529 947 N N 1.602 120.275 118.700 -0.045 0.000 2.240 947 N HA 0.196 4.685 4.740 -0.418 0.000 0.302 947 N C 0.497 175.957 175.510 -0.083 0.000 1.106 947 N CA -0.544 52.472 53.050 -0.056 0.000 0.778 947 N CB 2.470 40.869 38.487 -0.146 0.000 1.431 947 N HN 0.081 nan 8.380 nan 0.000 0.479 948 K N 0.665 121.015 120.400 -0.083 0.000 2.152 948 K HA -0.076 3.993 4.320 -0.418 0.000 0.206 948 K C 1.186 177.703 176.600 -0.138 0.000 1.048 948 K CA 1.146 57.359 56.287 -0.124 0.000 0.933 948 K CB 0.028 32.472 32.500 -0.094 0.000 0.721 948 K HN 0.315 nan 8.250 nan 0.000 0.447 949 V N 2.183 122.033 119.914 -0.106 0.000 2.688 949 V HA -0.248 3.621 4.120 -0.418 0.000 0.256 949 V C 1.640 177.664 176.094 -0.116 0.000 1.084 949 V CA 1.716 63.958 62.300 -0.097 0.000 1.103 949 V CB -0.610 31.168 31.823 -0.076 0.000 0.688 949 V HN 0.416 nan 8.190 nan 0.000 0.480 950 N N 0.046 118.661 118.700 -0.143 0.000 2.354 950 N HA 0.032 4.521 4.740 -0.418 0.000 0.179 950 N C 1.820 177.154 175.510 -0.293 0.000 1.021 950 N CA 0.734 53.677 53.050 -0.177 0.000 0.887 950 N CB -0.163 38.256 38.487 -0.114 0.000 0.974 950 N HN 0.398 nan 8.380 nan 0.000 0.437 951 L N 0.324 121.315 121.223 -0.386 0.000 2.034 951 L HA -0.206 3.883 4.340 -0.418 0.000 0.217 951 L C 0.628 177.320 176.870 -0.297 0.000 1.077 951 L CA 1.285 55.803 54.840 -0.538 0.000 0.769 951 L CB -0.381 41.405 42.059 -0.455 0.000 0.890 951 L HN 0.202 nan 8.230 nan 0.000 0.435 952 N N -0.203 118.393 118.700 -0.174 0.000 2.726 952 N HA 0.131 4.620 4.740 -0.418 0.000 0.253 952 N C -1.043 174.434 175.510 -0.055 0.000 1.530 952 N CA -0.240 52.752 53.050 -0.096 0.000 0.772 952 N CB 0.244 38.679 38.487 -0.086 0.000 1.220 952 N HN 0.052 nan 8.380 nan 0.000 0.508 953 N N 0.776 119.460 118.700 -0.027 0.000 2.640 953 N HA 0.106 4.595 4.740 -0.418 0.000 0.262 953 N C -1.560 174.024 175.510 0.123 0.000 1.174 953 N CA -0.433 52.638 53.050 0.035 0.000 0.791 953 N CB 0.885 39.387 38.487 0.026 0.000 1.279 953 N HN 0.377 nan 8.380 nan 0.000 0.535 954 E N 2.917 123.160 120.200 0.072 0.000 2.289 954 E HA 0.185 4.284 4.350 -0.418 0.000 0.278 954 E C -1.059 175.615 176.600 0.125 0.000 1.032 954 E CA -0.412 56.011 56.400 0.039 0.000 0.854 954 E CB 0.482 30.175 29.700 -0.013 0.000 1.046 954 E HN 0.559 nan 8.360 nan 0.000 0.409 955 Y N 0.384 120.708 120.300 0.039 0.000 2.512 955 Y HA 0.457 4.756 4.550 -0.419 0.000 0.348 955 Y C -0.499 175.433 175.900 0.053 0.000 0.990 955 Y CA -1.273 56.852 58.100 0.042 0.000 1.033 955 Y CB 0.910 39.403 38.460 0.055 0.000 1.259 955 Y HN 0.144 nan 8.280 nan 0.000 0.461 956 T N 4.008 118.638 114.554 0.128 0.000 2.910 956 T HA 0.351 4.451 4.350 -0.418 0.000 0.293 956 T C 1.141 175.913 174.700 0.120 0.000 1.015 956 T CA 0.028 62.158 62.100 0.050 0.000 1.094 956 T CB 0.728 69.604 68.868 0.014 0.000 0.968 956 T HN 0.826 nan 8.240 nan 0.000 0.521 957 I N -1.307 119.296 120.570 0.055 0.000 4.398 957 I HA 0.484 4.403 4.170 -0.418 0.000 0.310 957 I C -0.132 175.943 176.117 -0.070 0.000 1.232 957 I CA -0.077 61.272 61.300 0.082 0.000 1.312 957 I CB 0.548 38.632 38.000 0.140 0.000 1.347 957 I HN 0.338 nan 8.210 nan 0.000 0.454 958 I N 2.997 123.469 120.570 -0.163 0.000 2.439 958 I HA 0.403 4.322 4.170 -0.418 0.000 0.285 958 I C -1.550 174.373 176.117 -0.324 0.000 1.021 958 I CA -0.378 60.668 61.300 -0.423 0.000 1.091 958 I CB 1.826 39.550 38.000 -0.460 0.000 1.242 958 I HN 0.082 nan 8.210 nan 0.000 0.439 959 D N 5.809 125.949 120.400 -0.433 0.000 2.408 959 D HA 0.291 4.680 4.640 -0.418 0.000 0.243 959 D C -1.011 174.925 176.300 -0.606 0.000 1.075 959 D CA -0.225 53.525 54.000 -0.418 0.000 0.832 959 D CB 2.299 42.939 40.800 -0.266 0.000 1.162 959 D HN 0.604 nan 8.370 nan 0.000 0.515 960 C N 6.695 125.501 119.300 -0.823 0.000 3.025 960 C HA 0.394 4.603 4.460 -0.418 0.000 0.240 960 C C -0.807 173.789 174.990 -0.656 0.000 2.061 960 C CA -0.582 57.876 59.018 -0.933 0.000 1.571 960 C CB -1.182 25.461 27.740 -1.829 0.000 3.075 960 C HN 0.471 nan 8.230 nan 0.000 0.479 961 I N 2.515 122.830 120.570 -0.424 0.000 2.353 961 I HA 0.407 4.327 4.170 -0.418 0.000 0.293 961 I C 0.431 176.409 176.117 -0.231 0.000 0.992 961 I CA 0.072 61.202 61.300 -0.282 0.000 1.268 961 I CB 1.131 39.004 38.000 -0.212 0.000 1.387 961 I HN 0.417 nan 8.210 nan 0.000 0.478 962 R N 6.325 126.702 120.500 -0.205 0.000 2.368 962 R HA 0.241 4.330 4.340 -0.418 0.000 0.302 962 R C 0.227 176.443 176.300 -0.140 0.000 1.002 962 R CA -0.308 55.673 56.100 -0.199 0.000 0.929 962 R CB 0.532 30.667 30.300 -0.274 0.000 1.073 962 R HN 0.626 nan 8.270 nan 0.000 0.464 963 N N 3.302 121.930 118.700 -0.121 0.000 2.701 963 N HA -0.299 4.190 4.740 -0.418 0.000 0.250 963 N C -0.919 174.547 175.510 -0.072 0.000 1.046 963 N CA 1.659 54.658 53.050 -0.084 0.000 0.733 963 N CB -1.381 37.065 38.487 -0.068 0.000 0.973 963 N HN 0.999 nan 8.380 nan 0.000 0.541 964 N N -2.161 116.489 118.700 -0.083 0.000 2.725 964 N HA -0.281 4.208 4.740 -0.418 0.000 0.249 964 N C 0.487 175.959 175.510 -0.065 0.000 1.103 964 N CA 1.073 54.080 53.050 -0.072 0.000 0.707 964 N CB -0.458 37.996 38.487 -0.054 0.000 1.043 964 N HN 0.646 nan 8.380 nan 0.000 0.553 965 N N -0.870 117.786 118.700 -0.072 0.000 3.158 965 N HA 0.168 4.657 4.740 -0.418 0.000 0.190 965 N C -0.324 175.152 175.510 -0.057 0.000 1.508 965 N CA 0.384 53.401 53.050 -0.055 0.000 1.199 965 N CB 0.286 38.750 38.487 -0.038 0.000 1.004 965 N HN 0.033 nan 8.380 nan 0.000 0.660 966 S N -0.873 114.800 115.700 -0.046 0.000 2.585 966 S HA 0.582 4.801 4.470 -0.418 0.000 0.273 966 S C 0.354 174.919 174.600 -0.058 0.000 1.339 966 S CA 0.670 58.857 58.200 -0.023 0.000 1.028 966 S CB -0.212 63.004 63.200 0.025 0.000 0.906 966 S HN 0.891 nan 8.310 nan 0.000 0.528 967 G N 2.529 111.324 108.800 -0.009 0.000 2.306 967 G HA2 0.024 3.733 3.960 -0.418 0.000 0.262 967 G HA3 0.024 3.733 3.960 -0.418 0.000 0.262 967 G C -1.118 173.797 174.900 0.026 0.000 1.263 967 G CA -0.237 44.847 45.100 -0.027 0.000 1.088 967 G HN 1.146 nan 8.290 nan 0.000 0.489 968 W N 0.369 121.609 121.300 -0.100 0.000 3.062 968 W HA 0.831 5.242 4.660 -0.415 0.000 0.336 968 W C -0.660 175.733 176.519 -0.210 0.000 1.224 968 W CA -0.651 56.525 57.345 -0.281 0.000 1.159 968 W CB 1.487 30.763 29.460 -0.306 0.000 1.454 968 W HN 1.236 nan 8.180 nan 0.000 0.569 969 K N 0.869 121.303 120.400 0.057 0.000 2.575 969 K HA 0.659 4.728 4.320 -0.418 0.000 0.279 969 K C -1.882 174.870 176.600 0.254 0.000 0.969 969 K CA -0.898 55.436 56.287 0.078 0.000 0.868 969 K CB 2.258 34.696 32.500 -0.104 0.000 1.457 969 K HN 0.333 nan 8.250 nan 0.000 0.426 970 I N 2.568 123.303 120.570 0.275 0.000 2.406 970 I HA 0.336 4.255 4.170 -0.418 0.000 0.290 970 I C -0.368 175.824 176.117 0.126 0.000 0.999 970 I CA -0.203 61.279 61.300 0.303 0.000 1.124 970 I CB 1.470 39.685 38.000 0.357 0.000 1.289 970 I HN 0.951 nan 8.210 nan 0.000 0.441 971 S N 7.061 122.815 115.700 0.091 0.000 2.632 971 S HA 0.885 5.104 4.470 -0.418 0.000 0.289 971 S C -0.843 173.702 174.600 -0.092 0.000 1.115 971 S CA -0.819 57.360 58.200 -0.035 0.000 0.889 971 S CB 2.648 65.819 63.200 -0.049 0.000 1.116 971 S HN 0.424 nan 8.310 nan 0.000 0.486 972 L N 0.857 121.860 121.223 -0.367 0.000 2.283 972 L HA 0.720 4.809 4.340 -0.418 0.000 0.259 972 L C -0.184 176.421 176.870 -0.441 0.000 1.027 972 L CA -0.829 53.784 54.840 -0.379 0.000 0.828 972 L CB 2.123 43.907 42.059 -0.457 0.000 1.380 972 L HN 0.977 nan 8.230 nan 0.000 0.425 973 N N -1.456 117.143 118.700 -0.169 0.000 3.127 973 N HA 0.188 4.677 4.740 -0.418 0.000 0.239 973 N C -1.586 173.855 175.510 -0.115 0.000 1.407 973 N CA -0.765 52.230 53.050 -0.091 0.000 0.891 973 N CB 1.446 39.892 38.487 -0.067 0.000 1.447 973 N HN 0.483 nan 8.380 nan 0.000 0.507 974 Y N 2.361 122.410 120.300 -0.418 0.000 2.881 974 Y HA -0.090 4.212 4.550 -0.415 0.000 0.335 974 Y C 0.559 176.240 175.900 -0.366 0.000 1.263 974 Y CA 1.105 58.851 58.100 -0.590 0.000 1.572 974 Y CB -0.038 38.136 38.460 -0.476 0.000 1.237 974 Y HN 0.689 nan 8.280 nan 0.000 0.568 975 N N 2.378 120.545 118.700 -0.888 0.000 2.708 975 N HA -0.262 4.227 4.740 -0.418 0.000 0.251 975 N C -1.219 173.867 175.510 -0.707 0.000 1.123 975 N CA 1.501 53.859 53.050 -1.154 0.000 0.739 975 N CB -0.819 37.137 38.487 -0.885 0.000 1.113 975 N HN 0.700 nan 8.380 nan 0.000 0.561 976 K N -0.292 119.949 120.400 -0.265 0.000 2.546 976 K HA 0.546 4.615 4.320 -0.418 0.000 0.264 976 K C -0.708 175.994 176.600 0.171 0.000 0.937 976 K CA -0.561 55.707 56.287 -0.031 0.000 0.833 976 K CB 2.162 34.618 32.500 -0.073 0.000 1.378 976 K HN -0.067 nan 8.250 nan 0.000 0.432 977 I N 3.684 124.389 120.570 0.225 0.000 2.418 977 I HA 0.422 4.341 4.170 -0.418 0.000 0.287 977 I C -0.784 175.459 176.117 0.210 0.000 1.008 977 I CA -0.753 60.703 61.300 0.260 0.000 1.104 977 I CB 1.369 39.586 38.000 0.361 0.000 1.264 977 I HN 0.381 nan 8.210 nan 0.000 0.438 978 I N 5.965 126.641 120.570 0.176 0.000 2.465 978 I HA 0.331 4.250 4.170 -0.418 0.000 0.291 978 I C -0.840 175.437 176.117 0.267 0.000 1.014 978 I CA -0.559 60.847 61.300 0.176 0.000 1.093 978 I CB 1.994 40.044 38.000 0.083 0.000 1.267 978 I HN 0.597 nan 8.210 nan 0.000 0.431 979 W N 6.768 128.122 121.300 0.090 0.000 2.529 979 W HA 0.589 5.002 4.660 -0.412 0.000 0.321 979 W C -1.616 174.966 176.519 0.106 0.000 1.047 979 W CA -0.482 56.933 57.345 0.117 0.000 1.216 979 W CB 1.963 31.471 29.460 0.080 0.000 1.357 979 W HN 0.389 nan 8.180 nan 0.000 0.489 980 T N 7.011 121.203 114.554 -0.604 0.000 2.879 980 T HA 0.453 4.552 4.350 -0.418 0.000 0.290 980 T C -0.823 173.384 174.700 -0.821 0.000 0.993 980 T CA -0.546 61.217 62.100 -0.561 0.000 0.975 980 T CB 1.595 70.322 68.868 -0.235 0.000 0.981 980 T HN 0.400 nan 8.240 nan 0.000 0.439 981 L N 3.359 124.249 121.223 -0.556 0.000 2.356 981 L HA 0.627 4.716 4.340 -0.418 0.000 0.277 981 L C -0.777 176.053 176.870 -0.066 0.000 0.996 981 L CA -0.535 54.152 54.840 -0.255 0.000 0.822 981 L CB 1.906 43.976 42.059 0.017 0.000 1.256 981 L HN 0.670 nan 8.230 nan 0.000 0.413 982 Q N 2.489 122.282 119.800 -0.011 0.000 2.389 982 Q HA 0.320 4.409 4.340 -0.418 0.000 0.277 982 Q C -1.603 174.420 176.000 0.038 0.000 1.082 982 Q CA -0.808 54.997 55.803 0.003 0.000 0.810 982 Q CB 2.799 31.518 28.738 -0.032 0.000 1.374 982 Q HN 0.723 nan 8.270 nan 0.000 0.422 983 D N 0.443 120.864 120.400 0.036 0.000 2.437 983 D HA 0.103 4.492 4.640 -0.418 0.000 0.259 983 D C 0.656 176.974 176.300 0.029 0.000 1.118 983 D CA -0.319 53.706 54.000 0.043 0.000 1.017 983 D CB 0.777 41.598 40.800 0.036 0.000 1.120 983 D HN 0.508 nan 8.370 nan 0.000 0.541 984 T N -1.333 113.243 114.554 0.037 0.000 2.929 984 T HA -0.098 4.001 4.350 -0.418 0.000 0.271 984 T C 1.560 176.269 174.700 0.016 0.000 1.085 984 T CA 1.568 63.687 62.100 0.032 0.000 1.125 984 T CB -0.607 68.289 68.868 0.045 0.000 0.874 984 T HN 0.523 nan 8.240 nan 0.000 0.494 985 A N -0.697 122.130 122.820 0.012 0.000 2.251 985 A HA 0.549 4.618 4.320 -0.418 0.000 0.209 985 A C 1.932 179.518 177.584 0.003 0.000 1.187 985 A CA 0.908 52.949 52.037 0.007 0.000 0.823 985 A CB -0.691 18.312 19.000 0.006 0.000 0.846 985 A HN 1.024 nan 8.150 nan 0.000 0.486 986 G N -0.527 108.275 108.800 0.002 0.000 2.213 986 G HA2 -0.259 3.450 3.960 -0.418 0.000 0.236 986 G HA3 -0.259 3.450 3.960 -0.418 0.000 0.236 986 G C 0.034 174.933 174.900 -0.001 0.000 0.991 986 G CA 0.039 45.137 45.100 -0.003 0.000 0.629 986 G HN 0.634 nan 8.290 nan 0.000 0.517 987 N N 1.994 120.697 118.700 0.005 0.000 2.492 987 N HA 0.440 4.929 4.740 -0.418 0.000 0.262 987 N C 0.199 175.714 175.510 0.009 0.000 1.202 987 N CA 0.652 53.707 53.050 0.008 0.000 0.926 987 N CB 0.404 38.899 38.487 0.013 0.000 1.078 987 N HN 0.743 nan 8.380 nan 0.000 0.454 988 N N 0.772 119.476 118.700 0.007 0.000 2.774 988 N HA 0.389 4.878 4.740 -0.418 0.000 0.264 988 N C -1.647 173.870 175.510 0.013 0.000 1.415 988 N CA -0.719 52.332 53.050 0.002 0.000 0.815 988 N CB 1.853 40.327 38.487 -0.022 0.000 1.514 988 N HN 0.357 nan 8.380 nan 0.000 0.523 989 Q N 0.272 120.081 119.800 0.014 0.000 2.309 989 Q HA 0.462 4.551 4.340 -0.418 0.000 0.273 989 Q C -1.922 174.100 176.000 0.037 0.000 1.040 989 Q CA -0.339 55.490 55.803 0.043 0.000 0.834 989 Q CB 2.138 30.927 28.738 0.085 0.000 1.345 989 Q HN 0.559 nan 8.270 nan 0.000 0.414 990 K N 2.327 122.761 120.400 0.058 0.000 2.259 990 K HA 0.665 4.734 4.320 -0.418 0.000 0.249 990 K C -1.276 175.419 176.600 0.158 0.000 0.942 990 K CA -0.994 55.341 56.287 0.080 0.000 0.816 990 K CB 1.594 34.116 32.500 0.037 0.000 1.155 990 K HN 0.377 nan 8.250 nan 0.000 0.428 991 L N 2.183 123.567 121.223 0.268 0.000 2.365 991 L HA 0.505 4.594 4.340 -0.418 0.000 0.273 991 L C -1.150 175.825 176.870 0.176 0.000 1.000 991 L CA -0.742 54.224 54.840 0.210 0.000 0.819 991 L CB 2.114 44.312 42.059 0.231 0.000 1.284 991 L HN 0.333 nan 8.230 nan 0.000 0.418 992 V N 3.427 123.405 119.914 0.107 0.000 2.709 992 V HA 0.457 4.326 4.120 -0.418 0.000 0.308 992 V C -1.010 175.158 176.094 0.124 0.000 1.062 992 V CA -0.754 61.610 62.300 0.106 0.000 0.901 992 V CB 1.949 33.803 31.823 0.051 0.000 1.003 992 V HN 0.512 nan 8.190 nan 0.000 0.425 993 F N 4.993 124.937 119.950 -0.010 0.000 2.411 993 F HA 0.593 4.876 4.527 -0.406 0.000 0.352 993 F C -0.054 175.750 175.800 0.006 0.000 1.123 993 F CA -0.743 57.229 58.000 -0.046 0.000 1.044 993 F CB 1.057 39.999 39.000 -0.096 0.000 1.135 993 F HN 0.485 nan 8.300 nan 0.000 0.461 994 N N 6.366 124.694 118.700 -0.621 0.000 2.400 994 N HA 0.311 4.800 4.740 -0.418 0.000 0.288 994 N C -1.360 173.659 175.510 -0.820 0.000 1.024 994 N CA -0.165 52.531 53.050 -0.591 0.000 0.894 994 N CB 2.082 40.400 38.487 -0.282 0.000 1.173 994 N HN 0.706 nan 8.380 nan 0.000 0.487 995 Y N -1.566 118.282 120.300 -0.754 0.000 2.669 995 Y HA 0.718 5.023 4.550 -0.409 0.000 0.335 995 Y C -0.345 175.422 175.900 -0.222 0.000 1.116 995 Y CA -1.023 56.796 58.100 -0.468 0.000 1.081 995 Y CB 1.182 39.385 38.460 -0.429 0.000 1.297 995 Y HN 0.293 nan 8.280 nan 0.000 0.484 996 T N -0.408 114.135 114.554 -0.019 0.000 2.901 996 T HA 0.336 4.435 4.350 -0.418 0.000 0.293 996 T C -0.373 174.341 174.700 0.024 0.000 1.084 996 T CA -0.605 61.427 62.100 -0.114 0.000 1.008 996 T CB 1.851 70.710 68.868 -0.016 0.000 1.170 996 T HN 0.831 nan 8.240 nan 0.000 0.509 997 Q N 0.978 120.773 119.800 -0.010 0.000 2.217 997 Q HA 0.236 4.325 4.340 -0.418 0.000 0.217 997 Q C -0.242 175.871 176.000 0.188 0.000 0.844 997 Q CA -0.059 55.824 55.803 0.134 0.000 0.957 997 Q CB 0.520 29.352 28.738 0.157 0.000 1.127 997 Q HN 0.443 nan 8.270 nan 0.000 0.503 998 M N 1.535 121.218 119.600 0.137 0.000 2.754 998 M HA 0.445 4.674 4.480 -0.418 0.000 0.327 998 M C -0.654 175.723 176.300 0.128 0.000 1.288 998 M CA -0.052 55.325 55.300 0.128 0.000 1.324 998 M CB -0.070 32.582 32.600 0.088 0.000 1.169 998 M HN 0.087 nan 8.290 nan 0.000 0.494 999 I N 0.230 120.897 120.570 0.162 0.000 2.828 999 I HA 0.242 4.161 4.170 -0.418 0.000 0.295 999 I C 0.950 177.171 176.117 0.173 0.000 1.459 999 I CA -0.030 61.363 61.300 0.155 0.000 1.015 999 I CB 2.183 40.287 38.000 0.173 0.000 1.345 999 I HN 0.561 nan 8.210 nan 0.000 0.449 1000 S N 6.839 122.620 115.700 0.135 0.000 2.351 1000 S HA 0.064 4.283 4.470 -0.418 0.000 0.220 1000 S C 0.614 175.302 174.600 0.146 0.000 1.035 1000 S CA 0.826 59.102 58.200 0.126 0.000 1.031 1000 S CB -0.131 63.117 63.200 0.081 0.000 0.928 1000 S HN 0.450 nan 8.310 nan 0.000 0.433 1001 I N 1.139 121.787 120.570 0.131 0.000 2.499 1001 I HA 0.465 4.384 4.170 -0.418 0.000 0.288 1001 I C -0.493 175.707 176.117 0.138 0.000 1.048 1001 I CA -0.291 61.090 61.300 0.134 0.000 1.062 1001 I CB 1.670 39.725 38.000 0.092 0.000 1.238 1001 I HN 0.280 nan 8.210 nan 0.000 0.426 1002 S N 3.797 119.602 115.700 0.176 0.000 2.489 1002 S HA 0.356 4.575 4.470 -0.418 0.000 0.291 1002 S C 0.370 174.929 174.600 -0.068 0.000 1.151 1002 S CA -0.444 57.838 58.200 0.138 0.000 1.082 1002 S CB 1.011 64.404 63.200 0.322 0.000 1.019 1002 S HN 0.490 nan 8.310 nan 0.000 0.492 1003 D N 2.973 123.177 120.400 -0.326 0.000 2.340 1003 D HA 0.141 4.530 4.640 -0.418 0.000 0.220 1003 D C 0.175 176.067 176.300 -0.679 0.000 1.039 1003 D CA 0.799 54.446 54.000 -0.588 0.000 0.866 1003 D CB 0.156 40.487 40.800 -0.781 0.000 0.913 1003 D HN 0.646 nan 8.370 nan 0.000 0.523 1004 Y N -0.206 120.140 120.300 0.076 0.000 2.701 1004 Y HA 0.315 4.612 4.550 -0.423 0.000 0.275 1004 Y C 1.064 176.986 175.900 0.038 0.000 1.133 1004 Y CA -0.694 57.406 58.100 0.001 0.000 1.241 1004 Y CB -0.007 38.358 38.460 -0.158 0.000 1.389 1004 Y HN -0.223 nan 8.280 nan 0.000 0.486 1005 I N 3.020 123.797 120.570 0.344 0.000 2.752 1005 I HA -0.182 3.737 4.170 -0.418 0.000 0.286 1005 I C 1.128 177.492 176.117 0.412 0.000 1.180 1005 I CA 0.972 62.525 61.300 0.422 0.000 1.404 1005 I CB -0.177 38.194 38.000 0.618 0.000 1.389 1005 I HN 0.537 nan 8.210 nan 0.000 0.549 1006 N N 3.847 122.679 118.700 0.220 0.000 2.753 1006 N HA -0.200 4.289 4.740 -0.418 0.000 0.251 1006 N C -0.405 175.164 175.510 0.100 0.000 1.097 1006 N CA 0.867 53.958 53.050 0.067 0.000 0.786 1006 N CB -0.194 38.289 38.487 -0.008 0.000 1.137 1006 N HN 0.619 nan 8.380 nan 0.000 0.566 1007 K N -0.295 120.192 120.400 0.145 0.000 2.221 1007 K HA 0.247 4.316 4.320 -0.418 0.000 0.243 1007 K C -0.687 175.962 176.600 0.081 0.000 0.968 1007 K CA -0.611 55.769 56.287 0.156 0.000 0.846 1007 K CB 0.777 33.353 32.500 0.127 0.000 1.141 1007 K HN 0.067 nan 8.250 nan 0.000 0.434 1008 W N 2.556 123.998 121.300 0.237 0.000 2.308 1008 W HA 0.187 4.591 4.660 -0.428 0.000 0.324 1008 W C 0.059 176.870 176.519 0.487 0.000 1.387 1008 W CA -0.174 57.367 57.345 0.327 0.000 1.250 1008 W CB 0.163 29.753 29.460 0.216 0.000 1.257 1008 W HN 0.221 nan 8.180 nan 0.000 0.554 1009 I N 4.871 125.836 120.570 0.657 0.000 2.378 1009 I HA 0.201 4.120 4.170 -0.418 0.000 0.291 1009 I C -0.575 175.685 176.117 0.238 0.000 0.992 1009 I CA -1.154 60.384 61.300 0.396 0.000 1.154 1009 I CB 0.895 38.992 38.000 0.161 0.000 1.315 1009 I HN 0.153 nan 8.210 nan 0.000 0.448 1010 F N 8.091 127.818 119.950 -0.373 0.000 2.421 1010 F HA 0.488 4.785 4.527 -0.385 0.000 0.358 1010 F C -0.405 174.965 175.800 -0.717 0.000 1.115 1010 F CA -0.473 56.934 58.000 -0.990 0.000 1.160 1010 F CB 0.685 38.755 39.000 -1.550 0.000 1.123 1010 F HN 0.048 nan 8.300 nan 0.000 0.508 1011 V N 4.961 124.133 119.914 -1.237 0.000 2.667 1011 V HA 0.636 4.505 4.120 -0.418 0.000 0.308 1011 V C -0.383 174.909 176.094 -1.337 0.000 1.048 1011 V CA -0.580 61.011 62.300 -1.182 0.000 0.928 1011 V CB 2.086 33.241 31.823 -1.115 0.000 1.004 1011 V HN 0.810 nan 8.190 nan 0.000 0.444 1012 T N 5.149 119.154 114.554 -0.915 0.000 3.109 1012 T HA 0.545 4.644 4.350 -0.418 0.000 0.311 1012 T C -1.011 173.409 174.700 -0.467 0.000 1.011 1012 T CA -0.310 61.366 62.100 -0.707 0.000 1.026 1012 T CB 1.170 69.587 68.868 -0.751 0.000 1.047 1012 T HN 0.288 nan 8.240 nan 0.000 0.448 1013 I N 3.871 124.124 120.570 -0.529 0.000 2.433 1013 I HA 0.533 4.452 4.170 -0.418 0.000 0.292 1013 I C 0.640 176.370 176.117 -0.645 0.000 1.001 1013 I CA -0.712 60.156 61.300 -0.720 0.000 1.119 1013 I CB 1.507 38.711 38.000 -1.327 0.000 1.289 1013 I HN 0.799 nan 8.210 nan 0.000 0.438 1014 T N 2.973 117.224 114.554 -0.504 0.000 2.863 1014 T HA 0.585 4.684 4.350 -0.418 0.000 0.285 1014 T C -0.504 173.941 174.700 -0.425 0.000 1.009 1014 T CA -0.906 60.946 62.100 -0.413 0.000 0.989 1014 T CB 2.043 70.783 68.868 -0.213 0.000 1.004 1014 T HN 0.478 nan 8.240 nan 0.000 0.455 1015 N N 2.955 121.385 118.700 -0.451 0.000 2.448 1015 N HA 0.246 4.735 4.740 -0.418 0.000 0.279 1015 N C -1.356 174.059 175.510 -0.160 0.000 1.025 1015 N CA -0.523 52.326 53.050 -0.335 0.000 0.898 1015 N CB 2.045 40.209 38.487 -0.538 0.000 1.303 1015 N HN 0.831 nan 8.380 nan 0.000 0.495 1016 N N 2.093 120.746 118.700 -0.079 0.000 2.527 1016 N HA 0.132 4.621 4.740 -0.418 0.000 0.236 1016 N C 0.870 176.397 175.510 0.029 0.000 0.999 1016 N CA -0.583 52.455 53.050 -0.020 0.000 0.935 1016 N CB 0.749 39.221 38.487 -0.024 0.000 1.132 1016 N HN 0.179 nan 8.380 nan 0.000 0.511 1017 R N 2.605 123.149 120.500 0.074 0.000 2.200 1017 R HA -0.063 4.026 4.340 -0.418 0.000 0.234 1017 R C 1.006 177.376 176.300 0.118 0.000 1.127 1017 R CA 0.888 57.056 56.100 0.113 0.000 0.989 1017 R CB -0.388 30.007 30.300 0.159 0.000 0.869 1017 R HN 0.697 nan 8.270 nan 0.000 0.459 1018 L N -0.906 120.377 121.223 0.100 0.000 2.628 1018 L HA 0.239 4.328 4.340 -0.418 0.000 0.229 1018 L C 1.262 178.161 176.870 0.048 0.000 1.137 1018 L CA 0.054 54.946 54.840 0.086 0.000 0.909 1018 L CB 0.411 42.511 42.059 0.068 0.000 1.137 1018 L HN 0.181 nan 8.230 nan 0.000 0.470 1019 G N -0.721 108.101 108.800 0.035 0.000 3.433 1019 G HA2 0.253 3.962 3.960 -0.418 0.000 0.173 1019 G HA3 0.253 3.962 3.960 -0.418 0.000 0.173 1019 G C -0.889 174.016 174.900 0.009 0.000 1.196 1019 G CA -0.449 44.660 45.100 0.015 0.000 1.062 1019 G HN 0.126 nan 8.290 nan 0.000 0.699 1020 N N -0.510 118.182 118.700 -0.012 0.000 2.432 1020 N HA 0.551 5.041 4.740 -0.418 0.000 0.292 1020 N C -1.076 174.406 175.510 -0.046 0.000 1.193 1020 N CA -0.403 52.633 53.050 -0.023 0.000 0.878 1020 N CB 2.161 40.623 38.487 -0.041 0.000 1.252 1020 N HN 0.379 nan 8.380 nan 0.000 0.520 1021 S N 0.107 115.782 115.700 -0.042 0.000 2.525 1021 S HA 0.507 4.726 4.470 -0.418 0.000 0.290 1021 S C -0.915 173.594 174.600 -0.153 0.000 1.152 1021 S CA -0.667 57.480 58.200 -0.088 0.000 1.072 1021 S CB 0.469 63.696 63.200 0.045 0.000 1.027 1021 S HN 0.407 nan 8.310 nan 0.000 0.500 1022 R N 2.415 122.760 120.500 -0.257 0.000 2.673 1022 R HA 0.549 4.638 4.340 -0.418 0.000 0.281 1022 R C -1.272 174.782 176.300 -0.409 0.000 0.991 1022 R CA -0.697 55.211 56.100 -0.320 0.000 0.896 1022 R CB 1.954 32.062 30.300 -0.320 0.000 1.201 1022 R HN 0.685 nan 8.270 nan 0.000 0.457 1023 I N 2.061 122.363 120.570 -0.447 0.000 2.406 1023 I HA 0.401 4.320 4.170 -0.418 0.000 0.290 1023 I C -1.433 174.386 176.117 -0.496 0.000 0.999 1023 I CA -0.693 60.365 61.300 -0.404 0.000 1.124 1023 I CB 0.927 38.764 38.000 -0.270 0.000 1.289 1023 I HN 0.544 nan 8.210 nan 0.000 0.441 1024 Y N 7.041 127.084 120.300 -0.428 0.000 2.409 1024 Y HA 0.581 4.879 4.550 -0.420 0.000 0.339 1024 Y C -0.217 175.339 175.900 -0.573 0.000 1.033 1024 Y CA -0.956 56.878 58.100 -0.444 0.000 1.094 1024 Y CB 1.805 39.998 38.460 -0.446 0.000 1.210 1024 Y HN 0.258 nan 8.280 nan 0.000 0.456 1025 I N 3.527 123.847 120.570 -0.417 0.000 2.447 1025 I HA 0.179 4.099 4.170 -0.418 0.000 0.287 1025 I C -0.447 175.395 176.117 -0.458 0.000 1.023 1025 I CA -1.040 59.901 61.300 -0.598 0.000 1.083 1025 I CB 1.318 38.743 38.000 -0.958 0.000 1.245 1025 I HN 0.769 nan 8.210 nan 0.000 0.434 1026 N N 5.080 123.487 118.700 -0.489 0.000 2.714 1026 N HA -0.207 4.282 4.740 -0.418 0.000 0.252 1026 N C 1.161 176.135 175.510 -0.893 0.000 1.014 1026 N CA 1.301 53.920 53.050 -0.718 0.000 0.735 1026 N CB -0.954 37.319 38.487 -0.357 0.000 0.924 1026 N HN 1.135 nan 8.380 nan 0.000 0.540 1027 G N -1.227 107.234 108.800 -0.564 0.000 2.189 1027 G HA2 -0.358 3.351 3.960 -0.418 0.000 0.267 1027 G HA3 -0.358 3.351 3.960 -0.418 0.000 0.267 1027 G C -0.058 174.763 174.900 -0.131 0.000 0.975 1027 G CA 0.598 45.493 45.100 -0.341 0.000 0.644 1027 G HN 0.651 nan 8.290 nan 0.000 0.537 1028 N N -0.248 118.379 118.700 -0.120 0.000 2.372 1028 N HA 0.556 5.045 4.740 -0.418 0.000 0.291 1028 N C -0.356 175.100 175.510 -0.090 0.000 1.024 1028 N CA -0.932 52.091 53.050 -0.045 0.000 0.873 1028 N CB 1.956 40.392 38.487 -0.085 0.000 1.206 1028 N HN 0.165 nan 8.380 nan 0.000 0.486 1029 L N 3.661 124.789 121.223 -0.159 0.000 2.534 1029 L HA 0.052 4.141 4.340 -0.418 0.000 0.271 1029 L C 0.414 177.094 176.870 -0.318 0.000 1.178 1029 L CA 0.593 55.116 54.840 -0.527 0.000 0.907 1029 L CB 0.094 41.864 42.059 -0.482 0.000 1.164 1029 L HN 0.689 nan 8.230 nan 0.000 0.482 1030 I N 2.470 122.841 120.570 -0.332 0.000 3.172 1030 I HA 0.264 4.183 4.170 -0.418 0.000 0.278 1030 I C 0.274 176.309 176.117 -0.137 0.000 1.174 1030 I CA 0.545 61.746 61.300 -0.164 0.000 1.445 1030 I CB -0.525 37.417 38.000 -0.096 0.000 1.175 1030 I HN 0.673 nan 8.210 nan 0.000 0.447 1031 D N 0.044 120.324 120.400 -0.201 0.000 2.683 1031 D HA 0.321 4.710 4.640 -0.418 0.000 0.246 1031 D C -1.541 174.648 176.300 -0.185 0.000 1.238 1031 D CA -0.330 53.583 54.000 -0.145 0.000 0.759 1031 D CB 1.614 42.372 40.800 -0.069 0.000 1.349 1031 D HN 0.238 nan 8.370 nan 0.000 0.426 1032 E N 0.616 120.737 120.200 -0.132 0.000 2.372 1032 E HA 0.694 4.794 4.350 -0.418 0.000 0.279 1032 E C -1.266 175.298 176.600 -0.061 0.000 0.946 1032 E CA -1.026 55.301 56.400 -0.122 0.000 0.769 1032 E CB 2.498 32.108 29.700 -0.151 0.000 1.230 1032 E HN 0.233 nan 8.360 nan 0.000 0.442 1033 K N 0.785 121.165 120.400 -0.033 0.000 2.508 1033 K HA 0.393 4.462 4.320 -0.418 0.000 0.260 1033 K C -0.995 175.608 176.600 0.005 0.000 0.949 1033 K CA -1.092 55.192 56.287 -0.005 0.000 0.834 1033 K CB 2.361 34.873 32.500 0.020 0.000 1.365 1033 K HN 0.512 nan 8.250 nan 0.000 0.437 1034 S N 1.468 117.173 115.700 0.009 0.000 2.564 1034 S HA 0.209 4.428 4.470 -0.418 0.000 0.278 1034 S C 0.649 175.269 174.600 0.034 0.000 1.333 1034 S CA -0.598 57.612 58.200 0.017 0.000 1.048 1034 S CB 0.055 63.264 63.200 0.015 0.000 0.900 1034 S HN 0.576 nan 8.310 nan 0.000 0.505 1035 I N 2.221 122.817 120.570 0.043 0.000 3.654 1035 I HA 0.286 4.205 4.170 -0.418 0.000 0.337 1035 I C 1.147 177.296 176.117 0.054 0.000 1.568 1035 I CA -0.412 60.924 61.300 0.060 0.000 1.115 1035 I CB 0.065 38.117 38.000 0.087 0.000 1.300 1035 I HN 0.565 nan 8.210 nan 0.000 0.471 1036 S N 0.936 116.661 115.700 0.043 0.000 2.447 1036 S HA -0.179 4.040 4.470 -0.418 0.000 0.233 1036 S C 1.423 176.044 174.600 0.035 0.000 1.006 1036 S CA 1.240 59.465 58.200 0.042 0.000 0.957 1036 S CB -0.976 62.246 63.200 0.036 0.000 0.773 1036 S HN 0.835 nan 8.310 nan 0.000 0.507 1037 N N -0.019 118.701 118.700 0.033 0.000 2.461 1037 N HA 0.104 4.593 4.740 -0.418 0.000 0.188 1037 N C -0.421 175.106 175.510 0.027 0.000 1.134 1037 N CA -0.143 52.923 53.050 0.027 0.000 0.878 1037 N CB -0.180 38.321 38.487 0.024 0.000 0.972 1037 N HN 0.205 nan 8.380 nan 0.000 0.456 1038 L N 0.964 122.208 121.223 0.035 0.000 2.282 1038 L HA 0.486 4.575 4.340 -0.418 0.000 0.288 1038 L C 1.022 177.899 176.870 0.013 0.000 1.033 1038 L CA -0.355 54.507 54.840 0.036 0.000 0.807 1038 L CB 1.385 43.483 42.059 0.066 0.000 1.209 1038 L HN 0.185 nan 8.230 nan 0.000 0.423 1039 G N 1.700 110.499 108.800 -0.001 0.000 2.766 1039 G HA2 0.003 3.712 3.960 -0.418 0.000 0.206 1039 G HA3 0.003 3.712 3.960 -0.418 0.000 0.206 1039 G C -0.517 174.350 174.900 -0.055 0.000 2.072 1039 G CA -0.092 44.985 45.100 -0.040 0.000 0.798 1039 G HN 0.529 nan 8.290 nan 0.000 0.703 1040 D N 0.551 120.930 120.400 -0.035 0.000 2.352 1040 D HA 0.305 4.694 4.640 -0.418 0.000 0.245 1040 D C -0.092 176.227 176.300 0.031 0.000 1.224 1040 D CA -0.168 53.817 54.000 -0.026 0.000 0.879 1040 D CB 0.072 40.858 40.800 -0.024 0.000 1.057 1040 D HN 0.045 nan 8.370 nan 0.000 0.491 1041 I N 4.149 124.753 120.570 0.057 0.000 2.307 1041 I HA 0.174 4.093 4.170 -0.418 0.000 0.289 1041 I C -0.166 176.049 176.117 0.163 0.000 1.021 1041 I CA -0.620 60.753 61.300 0.120 0.000 1.224 1041 I CB 1.075 39.179 38.000 0.172 0.000 1.376 1041 I HN 0.450 nan 8.210 nan 0.000 0.470 1042 H N 6.819 125.909 119.070 0.033 0.000 2.718 1042 H HA 0.420 4.725 4.556 -0.419 0.000 0.295 1042 H C -0.412 174.913 175.328 -0.006 0.000 1.051 1042 H CA -0.940 55.118 56.048 0.017 0.000 1.260 1042 H CB 1.265 31.028 29.762 0.000 0.000 1.403 1042 H HN 0.508 nan 8.280 nan 0.000 0.488 1043 V N 2.588 122.577 119.914 0.125 0.000 3.185 1043 V HA 0.207 4.077 4.120 -0.418 0.000 0.305 1043 V C 0.737 176.709 176.094 -0.204 0.000 1.090 1043 V CA -0.577 61.692 62.300 -0.052 0.000 1.107 1043 V CB 1.484 33.318 31.823 0.018 0.000 1.061 1043 V HN 0.673 nan 8.190 nan 0.000 0.480 1044 S N 0.446 115.989 115.700 -0.261 0.000 2.593 1044 S HA 0.121 4.340 4.470 -0.418 0.000 0.269 1044 S C 0.770 175.258 174.600 -0.188 0.000 1.334 1044 S CA 0.057 58.102 58.200 -0.259 0.000 1.015 1044 S CB 0.603 63.635 63.200 -0.279 0.000 0.912 1044 S HN 0.916 nan 8.310 nan 0.000 0.541 1045 D N 1.892 122.198 120.400 -0.157 0.000 2.312 1045 D HA 0.066 4.456 4.640 -0.418 0.000 0.211 1045 D C -0.132 176.120 176.300 -0.080 0.000 0.964 1045 D CA 1.059 55.001 54.000 -0.097 0.000 0.877 1045 D CB -0.232 40.523 40.800 -0.075 0.000 0.924 1045 D HN 0.509 nan 8.370 nan 0.000 0.515 1046 N N -0.709 117.924 118.700 -0.112 0.000 2.312 1046 N HA 0.488 4.977 4.740 -0.418 0.000 0.296 1046 N C -0.797 174.615 175.510 -0.162 0.000 1.193 1046 N CA -0.571 52.420 53.050 -0.097 0.000 0.773 1046 N CB 2.485 40.920 38.487 -0.086 0.000 1.435 1046 N HN -0.197 nan 8.380 nan 0.000 0.484 1047 I N 1.711 122.208 120.570 -0.123 0.000 2.390 1047 I HA 0.272 4.191 4.170 -0.418 0.000 0.283 1047 I C -1.220 174.760 176.117 -0.228 0.000 1.016 1047 I CA -0.754 60.399 61.300 -0.246 0.000 1.151 1047 I CB 1.128 39.075 38.000 -0.088 0.000 1.293 1047 I HN 0.238 nan 8.210 nan 0.000 0.458 1048 L N 7.520 128.554 121.223 -0.316 0.000 2.272 1048 L HA 0.501 4.591 4.340 -0.418 0.000 0.289 1048 L C -1.141 175.554 176.870 -0.292 0.000 1.032 1048 L CA 0.146 54.874 54.840 -0.186 0.000 0.810 1048 L CB 0.568 42.547 42.059 -0.133 0.000 1.205 1048 L HN 0.246 nan 8.230 nan 0.000 0.422 1049 F N 5.829 125.706 119.950 -0.122 0.000 2.335 1049 F HA 0.532 4.807 4.527 -0.421 0.000 0.365 1049 F C 0.306 176.111 175.800 0.008 0.000 1.122 1049 F CA -0.295 57.670 58.000 -0.059 0.000 1.151 1049 F CB 0.540 39.531 39.000 -0.015 0.000 1.282 1049 F HN 0.435 nan 8.300 nan 0.000 0.513 1050 K N 3.615 124.083 120.400 0.113 0.000 2.569 1050 K HA 0.424 4.493 4.320 -0.418 0.000 0.259 1050 K C -1.420 175.252 176.600 0.120 0.000 0.932 1050 K CA -0.597 55.762 56.287 0.121 0.000 0.833 1050 K CB 1.479 34.027 32.500 0.079 0.000 1.340 1050 K HN 0.479 nan 8.250 nan 0.000 0.429 1051 I N 4.328 124.987 120.570 0.150 0.000 2.421 1051 I HA 0.165 4.084 4.170 -0.418 0.000 0.291 1051 I C -0.552 175.641 176.117 0.128 0.000 1.089 1051 I CA -0.600 60.805 61.300 0.176 0.000 1.354 1051 I CB 0.905 38.980 38.000 0.124 0.000 1.413 1051 I HN 0.193 nan 8.210 nan 0.000 0.513 1052 V N 5.371 125.374 119.914 0.150 0.000 2.531 1052 V HA 0.629 4.498 4.120 -0.418 0.000 0.301 1052 V C 0.729 176.900 176.094 0.128 0.000 1.034 1052 V CA -0.130 62.229 62.300 0.099 0.000 0.865 1052 V CB 1.254 33.111 31.823 0.057 0.000 0.995 1052 V HN 1.033 nan 8.190 nan 0.000 0.424 1053 G N 2.980 111.833 108.800 0.088 0.000 2.176 1053 G HA2 -0.231 3.479 3.960 -0.418 0.000 0.232 1053 G HA3 -0.231 3.479 3.960 -0.418 0.000 0.232 1053 G C 0.372 175.330 174.900 0.096 0.000 0.986 1053 G CA -0.017 45.139 45.100 0.092 0.000 0.643 1053 G HN 0.935 nan 8.290 nan 0.000 0.522 1054 C N 1.215 120.537 119.300 0.038 0.000 2.576 1054 C HA 0.552 4.761 4.460 -0.418 0.000 0.401 1054 C C 1.666 176.612 174.990 -0.073 0.000 1.314 1054 C CA 0.251 59.202 59.018 -0.113 0.000 1.855 1054 C CB -0.917 26.551 27.740 -0.453 0.000 2.537 1054 C HN 0.484 nan 8.230 nan 0.000 0.578 1055 N N 2.462 121.128 118.700 -0.056 0.000 2.383 1055 N HA 0.069 4.558 4.740 -0.418 0.000 0.192 1055 N C -0.494 174.984 175.510 -0.053 0.000 1.141 1055 N CA 0.021 53.047 53.050 -0.041 0.000 0.851 1055 N CB 0.151 38.620 38.487 -0.030 0.000 0.976 1055 N HN 0.737 nan 8.380 nan 0.000 0.465 1056 D N -0.792 119.559 120.400 -0.082 0.000 2.553 1056 D HA 0.231 4.620 4.640 -0.418 0.000 0.249 1056 D C -0.800 175.464 176.300 -0.061 0.000 1.062 1056 D CA -0.479 53.475 54.000 -0.076 0.000 1.085 1056 D CB 1.393 42.131 40.800 -0.103 0.000 1.350 1056 D HN -0.259 nan 8.370 nan 0.000 0.575 1057 T N 2.396 116.931 114.554 -0.032 0.000 2.794 1057 T HA 0.463 4.562 4.350 -0.418 0.000 0.304 1057 T C -0.047 174.670 174.700 0.029 0.000 0.973 1057 T CA -0.454 61.663 62.100 0.028 0.000 0.972 1057 T CB 0.110 69.017 68.868 0.065 0.000 0.952 1057 T HN 0.092 nan 8.240 nan 0.000 0.509 1058 R N 2.204 122.718 120.500 0.024 0.000 2.869 1058 R HA 0.611 4.700 4.340 -0.418 0.000 0.263 1058 R C -1.301 175.059 176.300 0.100 0.000 1.066 1058 R CA -0.879 55.199 56.100 -0.037 0.000 0.960 1058 R CB 1.977 32.164 30.300 -0.188 0.000 1.221 1058 R HN 0.714 nan 8.270 nan 0.000 0.474 1059 Y N -2.473 117.815 120.300 -0.020 0.000 2.638 1059 Y HA 0.736 5.033 4.550 -0.420 0.000 0.335 1059 Y C -0.830 175.037 175.900 -0.055 0.000 1.155 1059 Y CA -1.304 56.742 58.100 -0.091 0.000 1.046 1059 Y CB 1.262 39.567 38.460 -0.259 0.000 1.303 1059 Y HN 0.351 nan 8.280 nan 0.000 0.460 1060 V N -0.862 119.142 119.914 0.150 0.000 2.925 1060 V HA 1.041 4.910 4.120 -0.418 0.000 0.311 1060 V C -0.277 175.889 176.094 0.120 0.000 1.104 1060 V CA -0.429 61.940 62.300 0.115 0.000 0.954 1060 V CB 1.468 33.393 31.823 0.169 0.000 1.022 1060 V HN 1.442 nan 8.190 nan 0.000 0.427 1061 G N 2.226 111.061 108.800 0.058 0.000 2.400 1061 G HA2 0.776 4.485 3.960 -0.418 0.000 0.333 1061 G HA3 0.776 4.485 3.960 -0.418 0.000 0.333 1061 G C -1.286 173.703 174.900 0.149 0.000 1.143 1061 G CA -0.593 44.548 45.100 0.067 0.000 0.914 1061 G HN 1.447 nan 8.290 nan 0.000 0.480 1062 I N 0.139 120.752 120.570 0.072 0.000 2.894 1062 I HA 0.872 4.791 4.170 -0.418 0.000 0.302 1062 I C -0.731 175.333 176.117 -0.088 0.000 1.188 1062 I CA -1.222 60.148 61.300 0.117 0.000 1.014 1062 I CB 2.272 40.189 38.000 -0.138 0.000 1.242 1062 I HN 0.857 nan 8.210 nan 0.000 0.430 1063 R N 4.052 124.660 120.500 0.180 0.000 2.663 1063 R HA 0.438 4.527 4.340 -0.418 0.000 0.267 1063 R C -1.614 174.849 176.300 0.272 0.000 1.038 1063 R CA -0.714 55.336 56.100 -0.082 0.000 0.886 1063 R CB 0.489 30.317 30.300 -0.787 0.000 1.249 1063 R HN 0.577 nan 8.270 nan 0.000 0.463 1064 Y N -0.340 120.181 120.300 0.368 0.000 3.001 1064 Y HA -0.246 4.056 4.550 -0.414 0.000 0.199 1064 Y C -0.594 175.644 175.900 0.563 0.000 1.320 1064 Y CA 0.431 58.777 58.100 0.410 0.000 0.974 1064 Y CB -1.964 36.704 38.460 0.347 0.000 1.291 1064 Y HN 0.585 nan 8.280 nan 0.000 0.465 1065 F N 2.068 122.349 119.950 0.551 0.000 2.443 1065 F HA 0.562 4.838 4.527 -0.418 0.000 0.353 1065 F C 0.326 176.384 175.800 0.430 0.000 1.101 1065 F CA -0.508 57.832 58.000 0.567 0.000 1.226 1065 F CB 0.562 39.897 39.000 0.557 0.000 1.140 1065 F HN 0.087 nan 8.300 nan 0.000 0.557 1066 K N 4.188 124.317 120.400 -0.451 0.000 2.536 1066 K HA 0.727 4.796 4.320 -0.418 0.000 0.269 1066 K C -1.820 174.428 176.600 -0.587 0.000 0.965 1066 K CA -1.123 54.925 56.287 -0.398 0.000 0.860 1066 K CB 2.658 35.051 32.500 -0.179 0.000 1.423 1066 K HN 0.354 nan 8.250 nan 0.000 0.438 1067 V N 2.023 121.651 119.914 -0.475 0.000 2.686 1067 V HA 0.534 4.403 4.120 -0.418 0.000 0.306 1067 V C -1.369 174.494 176.094 -0.385 0.000 1.065 1067 V CA -0.838 61.328 62.300 -0.224 0.000 0.894 1067 V CB 1.229 33.077 31.823 0.042 0.000 1.004 1067 V HN 0.575 nan 8.190 nan 0.000 0.424 1068 F N 2.184 122.159 119.950 0.041 0.000 2.546 1068 F HA 0.481 4.756 4.527 -0.419 0.000 0.320 1068 F C 0.598 176.452 175.800 0.090 0.000 1.076 1068 F CA -0.841 57.181 58.000 0.038 0.000 0.928 1068 F CB 1.903 40.895 39.000 -0.013 0.000 1.189 1068 F HN 0.659 nan 8.300 nan 0.000 0.465 1069 D N 0.105 120.647 120.400 0.237 0.000 2.706 1069 D HA 0.129 4.518 4.640 -0.418 0.000 0.236 1069 D C -0.115 176.245 176.300 0.100 0.000 1.231 1069 D CA -0.021 54.067 54.000 0.147 0.000 0.828 1069 D CB -0.355 40.531 40.800 0.145 0.000 1.015 1069 D HN 0.571 nan 8.370 nan 0.000 0.484 1070 T N -4.077 110.549 114.554 0.119 0.000 2.762 1070 T HA 0.332 4.431 4.350 -0.418 0.000 0.301 1070 T C -0.917 173.773 174.700 -0.016 0.000 1.299 1070 T CA -1.083 61.043 62.100 0.042 0.000 1.005 1070 T CB 2.014 70.901 68.868 0.031 0.000 1.377 1070 T HN 0.015 nan 8.240 nan 0.000 0.504 1071 E N 1.413 121.575 120.200 -0.063 0.000 2.044 1071 E HA 0.362 4.462 4.350 -0.418 0.000 0.282 1071 E C -0.443 176.060 176.600 -0.161 0.000 1.031 1071 E CA -0.591 55.736 56.400 -0.122 0.000 0.824 1071 E CB 0.274 29.916 29.700 -0.096 0.000 1.076 1071 E HN 0.518 nan 8.360 nan 0.000 0.395 1072 L N 3.647 124.720 121.223 -0.250 0.000 2.485 1072 L HA 0.182 4.271 4.340 -0.418 0.000 0.275 1072 L C 1.061 177.758 176.870 -0.290 0.000 1.207 1072 L CA -0.026 54.614 54.840 -0.334 0.000 0.855 1072 L CB 0.490 42.246 42.059 -0.505 0.000 1.114 1072 L HN 0.606 nan 8.230 nan 0.000 0.485 1073 G N 1.038 109.686 108.800 -0.255 0.000 2.502 1073 G HA2 0.168 3.877 3.960 -0.418 0.000 0.305 1073 G HA3 0.168 3.877 3.960 -0.418 0.000 0.305 1073 G C 0.592 175.324 174.900 -0.281 0.000 1.190 1073 G CA -0.509 44.468 45.100 -0.204 0.000 0.933 1073 G HN 0.601 nan 8.290 nan 0.000 0.503 1074 K N -0.349 119.928 120.400 -0.205 0.000 2.074 1074 K HA -0.118 3.951 4.320 -0.418 0.000 0.209 1074 K C 2.597 179.084 176.600 -0.188 0.000 1.048 1074 K CA 2.004 58.165 56.287 -0.210 0.000 0.926 1074 K CB -0.636 31.831 32.500 -0.054 0.000 0.713 1074 K HN 0.494 nan 8.250 nan 0.000 0.444 1075 T N 1.061 115.534 114.554 -0.135 0.000 2.777 1075 T HA -0.107 3.992 4.350 -0.418 0.000 0.266 1075 T C 1.596 176.219 174.700 -0.128 0.000 1.040 1075 T CA 1.472 63.508 62.100 -0.106 0.000 1.141 1075 T CB -0.101 68.719 68.868 -0.079 0.000 0.868 1075 T HN 0.276 nan 8.240 nan 0.000 0.444 1076 E N 1.001 121.098 120.200 -0.171 0.000 2.077 1076 E HA -0.023 4.076 4.350 -0.418 0.000 0.193 1076 E C 2.069 178.548 176.600 -0.202 0.000 0.989 1076 E CA 0.809 57.093 56.400 -0.194 0.000 0.800 1076 E CB -0.443 29.097 29.700 -0.267 0.000 0.746 1076 E HN 0.510 nan 8.360 nan 0.000 0.452 1077 I N 0.883 121.295 120.570 -0.263 0.000 2.315 1077 I HA -0.211 3.708 4.170 -0.418 0.000 0.248 1077 I C 2.052 178.136 176.117 -0.055 0.000 1.117 1077 I CA 0.914 62.084 61.300 -0.218 0.000 1.404 1077 I CB -0.249 37.446 38.000 -0.509 0.000 1.071 1077 I HN 0.054 nan 8.210 nan 0.000 0.419 1078 E N 0.650 120.802 120.200 -0.081 0.000 2.110 1078 E HA -0.157 3.942 4.350 -0.418 0.000 0.193 1078 E C 2.249 178.863 176.600 0.023 0.000 0.988 1078 E CA 1.584 57.988 56.400 0.007 0.000 0.804 1078 E CB -0.419 29.275 29.700 -0.010 0.000 0.745 1078 E HN 0.450 nan 8.360 nan 0.000 0.458 1079 T N 1.909 116.442 114.554 -0.035 0.000 2.708 1079 T HA -0.086 4.013 4.350 -0.418 0.000 0.266 1079 T C 2.157 176.812 174.700 -0.075 0.000 1.037 1079 T CA 0.789 62.859 62.100 -0.051 0.000 1.146 1079 T CB -0.289 68.543 68.868 -0.058 0.000 0.865 1079 T HN 0.095 nan 8.240 nan 0.000 0.435 1080 L N -0.216 120.962 121.223 -0.076 0.000 2.079 1080 L HA -0.149 3.940 4.340 -0.418 0.000 0.210 1080 L C 2.420 179.079 176.870 -0.352 0.000 1.081 1080 L CA 1.528 56.294 54.840 -0.122 0.000 0.752 1080 L CB -0.558 41.520 42.059 0.031 0.000 0.896 1080 L HN 0.285 nan 8.230 nan 0.000 0.433 1081 Y N 0.834 120.808 120.300 -0.543 0.000 2.163 1081 Y HA -0.260 4.308 4.550 0.030 0.000 0.288 1081 Y C 2.858 178.643 175.900 -0.192 0.000 1.136 1081 Y CA 1.581 59.286 58.100 -0.658 0.000 1.147 1081 Y CB -0.273 37.982 38.460 -0.342 0.000 0.987 1081 Y HN 0.241 nan 8.280 nan 0.000 0.509 1082 S N -1.771 113.793 115.700 -0.227 0.000 2.501 1082 S HA 0.010 4.229 4.470 -0.418 0.000 0.220 1082 S C 1.186 175.663 174.600 -0.205 0.000 0.997 1082 S CA 0.778 58.822 58.200 -0.260 0.000 0.919 1082 S CB -0.008 63.112 63.200 -0.133 0.000 0.778 1082 S HN 0.386 nan 8.310 nan 0.000 0.523 1083 D N 1.107 121.400 120.400 -0.178 0.000 2.338 1083 D HA 0.157 4.546 4.640 -0.418 0.000 0.208 1083 D C 1.922 178.087 176.300 -0.225 0.000 0.997 1083 D CA 0.294 54.195 54.000 -0.166 0.000 0.880 1083 D CB -0.091 40.638 40.800 -0.118 0.000 0.980 1083 D HN 0.223 nan 8.370 nan 0.000 0.509 1084 E N 0.801 120.829 120.200 -0.287 0.000 2.000 1084 E HA -0.042 4.057 4.350 -0.418 0.000 0.199 1084 E C -1.417 174.826 176.600 -0.595 0.000 1.011 1084 E CA 0.846 56.943 56.400 -0.505 0.000 0.836 1084 E CB -1.577 27.793 29.700 -0.551 0.000 0.778 1084 E HN 0.253 nan 8.360 nan 0.000 0.462 1085 P HA -0.011 nan 4.420 nan 0.000 0.268 1085 P C -0.389 176.784 177.300 -0.211 0.000 1.205 1085 P CA -0.002 62.855 63.100 -0.405 0.000 0.771 1085 P CB 0.263 31.634 31.700 -0.548 0.000 0.858 1086 D N 4.831 125.196 120.400 -0.058 0.000 2.536 1086 D HA -0.070 4.319 4.640 -0.418 0.000 0.260 1086 D C -1.004 175.236 176.300 -0.101 0.000 1.270 1086 D CA -1.101 52.847 54.000 -0.086 0.000 0.934 1086 D CB 0.427 41.145 40.800 -0.136 0.000 1.129 1086 D HN 0.238 nan 8.370 nan 0.000 0.533 1087 P HA -0.152 nan 4.420 nan 0.000 0.225 1087 P C 1.066 178.306 177.300 -0.099 0.000 1.148 1087 P CA 0.744 63.773 63.100 -0.117 0.000 0.779 1087 P CB 0.116 31.748 31.700 -0.113 0.000 0.780 1088 S N -1.259 114.382 115.700 -0.098 0.000 2.527 1088 S HA 0.063 4.282 4.470 -0.418 0.000 0.222 1088 S C 0.955 175.495 174.600 -0.101 0.000 0.985 1088 S CA -0.188 57.960 58.200 -0.087 0.000 0.921 1088 S CB -0.832 62.323 63.200 -0.075 0.000 0.772 1088 S HN 0.050 nan 8.310 nan 0.000 0.529 1089 I N 2.350 122.838 120.570 -0.137 0.000 2.336 1089 I HA 0.311 4.230 4.170 -0.418 0.000 0.292 1089 I C -0.461 175.603 176.117 -0.088 0.000 0.991 1089 I CA -1.062 60.139 61.300 -0.166 0.000 1.227 1089 I CB 1.292 39.040 38.000 -0.421 0.000 1.366 1089 I HN 0.084 nan 8.210 nan 0.000 0.466 1090 L N 7.272 128.443 121.223 -0.086 0.000 2.473 1090 L HA 0.138 4.227 4.340 -0.418 0.000 0.268 1090 L C 0.360 177.216 176.870 -0.024 0.000 1.215 1090 L CA 0.570 55.368 54.840 -0.070 0.000 0.823 1090 L CB -0.040 41.956 42.059 -0.106 0.000 1.099 1090 L HN 0.430 nan 8.230 nan 0.000 0.483 1091 K N 1.004 121.393 120.400 -0.019 0.000 2.208 1091 K HA 0.408 4.478 4.320 -0.418 0.000 0.247 1091 K C -0.827 175.787 176.600 0.024 0.000 0.953 1091 K CA -0.868 55.426 56.287 0.012 0.000 0.837 1091 K CB 1.479 33.968 32.500 -0.019 0.000 1.131 1091 K HN 0.618 nan 8.250 nan 0.000 0.431 1092 D N -0.406 120.036 120.400 0.069 0.000 2.466 1092 D HA 0.042 4.431 4.640 -0.418 0.000 0.262 1092 D C 1.038 177.382 176.300 0.074 0.000 1.177 1092 D CA -0.625 53.417 54.000 0.071 0.000 1.035 1092 D CB 0.206 41.110 40.800 0.173 0.000 1.105 1092 D HN 0.438 nan 8.370 nan 0.000 0.551 1093 F N -0.490 119.343 119.950 -0.196 0.000 2.184 1093 F HA -0.128 4.158 4.527 -0.403 0.000 0.301 1093 F C 1.261 176.846 175.800 -0.359 0.000 1.076 1093 F CA 1.274 59.035 58.000 -0.397 0.000 1.295 1093 F CB -0.030 38.546 39.000 -0.707 0.000 1.026 1093 F HN 0.364 nan 8.300 nan 0.000 0.494 1094 W N -0.470 120.918 121.300 0.147 0.000 3.003 1094 W HA 0.304 4.710 4.660 -0.422 0.000 0.257 1094 W C 1.853 178.434 176.519 0.102 0.000 1.308 1094 W CA 0.540 57.922 57.345 0.062 0.000 1.529 1094 W CB -0.106 29.468 29.460 0.190 0.000 1.115 1094 W HN 0.161 nan 8.180 nan 0.000 0.659 1095 G N 0.038 109.005 108.800 0.278 0.000 2.179 1095 G HA2 -0.263 3.447 3.960 -0.418 0.000 0.220 1095 G HA3 -0.263 3.447 3.960 -0.418 0.000 0.220 1095 G C 0.023 175.024 174.900 0.169 0.000 0.990 1095 G CA -0.264 44.979 45.100 0.238 0.000 0.646 1095 G HN 0.315 nan 8.290 nan 0.000 0.517 1096 N N -0.669 118.192 118.700 0.268 0.000 2.379 1096 N HA 0.536 5.025 4.740 -0.418 0.000 0.260 1096 N C -0.257 175.276 175.510 0.038 0.000 1.254 1096 N CA -0.682 52.430 53.050 0.103 0.000 0.958 1096 N CB 0.390 39.077 38.487 0.333 0.000 1.208 1096 N HN 0.078 nan 8.380 nan 0.000 0.532 1097 Y N 1.030 121.339 120.300 0.016 0.000 2.526 1097 Y HA 0.080 4.374 4.550 -0.427 0.000 0.330 1097 Y C 0.293 176.235 175.900 0.070 0.000 1.156 1097 Y CA -0.301 57.761 58.100 -0.063 0.000 1.419 1097 Y CB 0.002 38.308 38.460 -0.255 0.000 1.250 1097 Y HN 0.307 nan 8.280 nan 0.000 0.540 1098 L N 5.075 126.396 121.223 0.163 0.000 2.380 1098 L HA 0.377 4.466 4.340 -0.418 0.000 0.273 1098 L C -0.885 176.035 176.870 0.083 0.000 1.138 1098 L CA 0.116 54.976 54.840 0.032 0.000 0.832 1098 L CB 0.045 41.980 42.059 -0.207 0.000 1.124 1098 L HN 0.512 nan 8.230 nan 0.000 0.454 1099 L N 4.554 125.880 121.223 0.172 0.000 2.354 1099 L HA 0.455 4.544 4.340 -0.418 0.000 0.264 1099 L C -0.910 175.976 176.870 0.027 0.000 1.008 1099 L CA -0.948 53.976 54.840 0.140 0.000 0.819 1099 L CB 1.541 43.750 42.059 0.251 0.000 1.339 1099 L HN 0.433 nan 8.230 nan 0.000 0.420 1100 Y N 0.242 120.586 120.300 0.073 0.000 2.295 1100 Y HA 0.110 4.412 4.550 -0.413 0.000 0.331 1100 Y C 1.008 176.921 175.900 0.022 0.000 1.311 1100 Y CA -0.004 58.111 58.100 0.026 0.000 1.430 1100 Y CB 0.330 38.783 38.460 -0.012 0.000 1.339 1100 Y HN 0.634 nan 8.280 nan 0.000 0.552 1101 N N -0.086 118.735 118.700 0.201 0.000 2.708 1101 N HA -0.282 4.207 4.740 -0.418 0.000 0.249 1101 N C -0.809 174.715 175.510 0.023 0.000 1.097 1101 N CA 0.663 53.768 53.050 0.091 0.000 0.710 1101 N CB -0.625 37.903 38.487 0.069 0.000 1.032 1101 N HN 0.407 nan 8.380 nan 0.000 0.551 1102 K N 0.963 121.352 120.400 -0.019 0.000 2.443 1102 K HA 0.342 4.411 4.320 -0.418 0.000 0.252 1102 K C -0.648 175.743 176.600 -0.348 0.000 0.933 1102 K CA -0.740 55.429 56.287 -0.196 0.000 0.792 1102 K CB 1.336 33.678 32.500 -0.264 0.000 1.185 1102 K HN 0.030 nan 8.250 nan 0.000 0.425 1103 R N 2.829 123.141 120.500 -0.314 0.000 2.491 1103 R HA 0.175 4.264 4.340 -0.418 0.000 0.283 1103 R C -0.869 175.191 176.300 -0.400 0.000 1.072 1103 R CA 0.197 56.144 56.100 -0.255 0.000 1.048 1103 R CB 0.314 30.502 30.300 -0.186 0.000 0.983 1103 R HN 0.457 nan 8.270 nan 0.000 0.450 1104 Y N 0.762 121.063 120.300 0.000 0.000 2.588 1104 Y HA 0.296 4.599 4.550 -0.412 0.000 0.343 1104 Y C -0.569 175.310 175.900 -0.034 0.000 1.065 1104 Y CA -0.926 57.224 58.100 0.083 0.000 1.038 1104 Y CB 1.267 39.903 38.460 0.293 0.000 1.297 1104 Y HN 0.396 nan 8.280 nan 0.000 0.467 1105 Y N 1.043 121.525 120.300 0.303 0.000 2.403 1105 Y HA 0.552 4.849 4.550 -0.420 0.000 0.323 1105 Y C -0.627 175.320 175.900 0.080 0.000 1.226 1105 Y CA -0.727 57.469 58.100 0.160 0.000 1.235 1105 Y CB 1.100 39.641 38.460 0.135 0.000 1.248 1105 Y HN 0.341 nan 8.280 nan 0.000 0.489 1106 L N 2.769 124.104 121.223 0.187 0.000 2.309 1106 L HA 0.535 4.624 4.340 -0.418 0.000 0.282 1106 L C -1.338 175.578 176.870 0.076 0.000 1.036 1106 L CA -0.600 54.267 54.840 0.044 0.000 0.806 1106 L CB 1.487 43.559 42.059 0.022 0.000 1.220 1106 L HN 0.512 nan 8.230 nan 0.000 0.429 1107 L N 4.727 125.984 121.223 0.057 0.000 2.409 1107 L HA 0.501 4.590 4.340 -0.418 0.000 0.272 1107 L C -0.791 176.101 176.870 0.036 0.000 0.980 1107 L CA -0.169 54.673 54.840 0.004 0.000 0.826 1107 L CB 1.548 43.514 42.059 -0.155 0.000 1.268 1107 L HN 0.605 nan 8.230 nan 0.000 0.407 1108 N N 5.233 123.854 118.700 -0.132 0.000 2.422 1108 N HA 0.137 4.626 4.740 -0.418 0.000 0.266 1108 N C 0.485 175.823 175.510 -0.287 0.000 1.007 1108 N CA -0.531 52.202 53.050 -0.530 0.000 0.941 1108 N CB 1.226 39.295 38.487 -0.696 0.000 1.115 1108 N HN 0.713 nan 8.380 nan 0.000 0.492 1109 L N 3.756 124.834 121.223 -0.242 0.000 2.456 1109 L HA -0.057 4.032 4.340 -0.418 0.000 0.224 1109 L C 1.929 178.761 176.870 -0.063 0.000 1.148 1109 L CA 0.803 55.593 54.840 -0.083 0.000 0.825 1109 L CB -0.725 41.350 42.059 0.026 0.000 0.937 1109 L HN 0.672 nan 8.230 nan 0.000 0.450 1110 L N -0.797 120.379 121.223 -0.077 0.000 2.253 1110 L HA 0.045 4.134 4.340 -0.418 0.000 0.205 1110 L C 0.901 177.763 176.870 -0.012 0.000 1.078 1110 L CA 0.397 55.242 54.840 0.009 0.000 0.805 1110 L CB 0.213 42.355 42.059 0.139 0.000 0.963 1110 L HN 0.132 nan 8.230 nan 0.000 0.459 1111 R N 0.210 120.647 120.500 -0.104 0.000 3.050 1111 R HA 0.151 4.240 4.340 -0.418 0.000 0.275 1111 R C 1.011 177.223 176.300 -0.148 0.000 1.373 1111 R CA 0.183 56.178 56.100 -0.175 0.000 1.612 1111 R CB 0.165 30.226 30.300 -0.397 0.000 1.218 1111 R HN 0.232 nan 8.270 nan 0.000 0.621 1112 T N -2.969 111.531 114.554 -0.089 0.000 3.035 1112 T HA -0.127 3.973 4.350 -0.418 0.000 0.268 1112 T C 0.942 175.604 174.700 -0.062 0.000 1.109 1112 T CA 1.134 63.191 62.100 -0.071 0.000 1.119 1112 T CB 0.009 68.857 68.868 -0.033 0.000 0.900 1112 T HN 0.302 nan 8.240 nan 0.000 0.503 1113 D N -0.102 120.263 120.400 -0.057 0.000 2.340 1113 D HA 0.119 4.508 4.640 -0.418 0.000 0.217 1113 D C 0.400 176.667 176.300 -0.054 0.000 1.081 1113 D CA -0.200 53.775 54.000 -0.041 0.000 0.842 1113 D CB 0.061 40.848 40.800 -0.022 0.000 0.934 1113 D HN 0.133 nan 8.370 nan 0.000 0.511 1114 K N 0.274 120.624 120.400 -0.083 0.000 2.138 1114 K HA 0.445 4.514 4.320 -0.418 0.000 0.263 1114 K C -0.445 176.119 176.600 -0.059 0.000 0.965 1114 K CA -0.644 55.591 56.287 -0.088 0.000 0.868 1114 K CB 1.982 34.390 32.500 -0.154 0.000 1.083 1114 K HN 0.024 nan 8.250 nan 0.000 0.443 1115 S N 2.014 117.696 115.700 -0.031 0.000 2.617 1115 S HA 0.499 4.718 4.470 -0.418 0.000 0.283 1115 S C -0.199 174.420 174.600 0.032 0.000 1.189 1115 S CA -0.813 57.391 58.200 0.007 0.000 1.036 1115 S CB 0.455 63.664 63.200 0.016 0.000 1.014 1115 S HN 0.336 nan 8.310 nan 0.000 0.522 1116 I N 4.724 125.340 120.570 0.077 0.000 2.297 1116 I HA 0.287 4.206 4.170 -0.418 0.000 0.291 1116 I C 0.564 176.734 176.117 0.088 0.000 1.033 1116 I CA -0.180 61.180 61.300 0.100 0.000 1.253 1116 I CB 0.128 38.211 38.000 0.139 0.000 1.396 1116 I HN 0.738 nan 8.210 nan 0.000 0.476 1117 T N 2.678 117.275 114.554 0.072 0.000 2.887 1117 T HA 0.430 4.529 4.350 -0.418 0.000 0.288 1117 T C -0.335 174.403 174.700 0.062 0.000 1.021 1117 T CA -0.873 61.266 62.100 0.064 0.000 1.000 1117 T CB 2.323 71.222 68.868 0.051 0.000 1.034 1117 T HN 0.505 nan 8.240 nan 0.000 0.467 1118 Q N 1.997 121.824 119.800 0.045 0.000 2.307 1118 Q HA 0.248 4.337 4.340 -0.418 0.000 0.259 1118 Q C 0.247 176.268 176.000 0.035 0.000 0.998 1118 Q CA -0.141 55.678 55.803 0.026 0.000 0.923 1118 Q CB 0.464 29.187 28.738 -0.024 0.000 1.196 1118 Q HN 0.752 nan 8.270 nan 0.000 0.416 1119 N N 0.483 119.229 118.700 0.076 0.000 1.827 1119 N HA 0.105 4.594 4.740 -0.418 0.000 0.242 1119 N C 0.717 176.264 175.510 0.061 0.000 1.168 1119 N CA -0.192 52.918 53.050 0.100 0.000 0.976 1119 N CB 0.204 38.810 38.487 0.199 0.000 1.324 1119 N HN 0.368 nan 8.380 nan 0.000 0.418 1120 S N 1.496 117.262 115.700 0.109 0.000 2.359 1120 S HA -0.059 4.160 4.470 -0.418 0.000 0.186 1120 S C 1.034 175.546 174.600 -0.147 0.000 1.163 1120 S CA 0.808 58.999 58.200 -0.015 0.000 1.479 1120 S CB -0.493 62.706 63.200 -0.001 0.000 0.880 1120 S HN 0.594 nan 8.310 nan 0.000 0.395 1121 N N 0.797 119.278 118.700 -0.365 0.000 2.275 1121 N HA 0.249 4.738 4.740 -0.418 0.000 0.236 1121 N C -0.979 174.290 175.510 -0.403 0.000 1.154 1121 N CA -0.103 52.715 53.050 -0.387 0.000 0.866 1121 N CB -0.080 38.157 38.487 -0.417 0.000 1.093 1121 N HN 0.249 nan 8.380 nan 0.000 0.515 1122 F N 0.378 120.330 119.950 0.003 0.000 2.557 1122 F HA 0.595 4.871 4.527 -0.419 0.000 0.336 1122 F C 0.255 176.066 175.800 0.019 0.000 1.058 1122 F CA -1.063 56.950 58.000 0.022 0.000 0.988 1122 F CB 1.353 40.369 39.000 0.028 0.000 1.275 1122 F HN -0.264 nan 8.300 nan 0.000 0.488 1123 L N 1.702 123.087 121.223 0.269 0.000 2.343 1123 L HA 0.406 4.495 4.340 -0.418 0.000 0.278 1123 L C -0.550 176.406 176.870 0.144 0.000 0.996 1123 L CA -0.388 54.549 54.840 0.162 0.000 0.831 1123 L CB 1.403 43.542 42.059 0.133 0.000 1.232 1123 L HN 0.625 nan 8.230 nan 0.000 0.413 1124 N N 2.919 121.682 118.700 0.104 0.000 2.476 1124 N HA 0.507 4.996 4.740 -0.418 0.000 0.275 1124 N C -0.271 175.267 175.510 0.046 0.000 1.190 1124 N CA -0.543 52.544 53.050 0.063 0.000 0.977 1124 N CB 2.381 40.890 38.487 0.038 0.000 1.200 1124 N HN 0.529 nan 8.380 nan 0.000 0.515 1125 I N 1.024 121.590 120.570 -0.006 0.000 3.064 1125 I HA 0.088 4.007 4.170 -0.418 0.000 0.323 1125 I C 0.085 176.123 176.117 -0.132 0.000 1.501 1125 I CA -0.028 61.228 61.300 -0.074 0.000 0.890 1125 I CB -0.249 37.662 38.000 -0.148 0.000 1.602 1125 I HN 0.620 nan 8.210 nan 0.000 0.586 1126 N N -0.348 118.307 118.700 -0.075 0.000 2.227 1126 N HA 0.065 4.555 4.740 -0.418 0.000 0.196 1126 N C 0.696 176.176 175.510 -0.051 0.000 1.142 1126 N CA -0.492 52.514 53.050 -0.074 0.000 0.887 1126 N CB 0.355 38.809 38.487 -0.054 0.000 1.022 1126 N HN 0.335 nan 8.380 nan 0.000 0.500 1127 Q N 1.407 121.187 119.800 -0.033 0.000 2.327 1127 Q HA 0.090 4.179 4.340 -0.418 0.000 0.254 1127 Q C -0.532 175.454 176.000 -0.023 0.000 0.952 1127 Q CA -0.449 55.344 55.803 -0.017 0.000 0.884 1127 Q CB 0.803 29.541 28.738 -0.000 0.000 1.224 1127 Q HN 0.167 nan 8.270 nan 0.000 0.422 1128 Q N 2.686 122.477 119.800 -0.015 0.000 2.314 1128 Q HA 0.169 4.258 4.340 -0.418 0.000 0.258 1128 Q C -0.663 175.333 176.000 -0.006 0.000 0.954 1128 Q CA 0.248 56.042 55.803 -0.014 0.000 0.890 1128 Q CB 0.864 29.599 28.738 -0.005 0.000 1.210 1128 Q HN 0.532 nan 8.270 nan 0.000 0.410 1129 R N 0.790 121.283 120.500 -0.012 0.000 2.340 1129 R HA 0.331 4.421 4.340 -0.418 0.000 0.300 1129 R C 0.814 177.121 176.300 0.011 0.000 1.069 1129 R CA -0.161 55.933 56.100 -0.010 0.000 0.984 1129 R CB 0.497 30.779 30.300 -0.030 0.000 1.003 1129 R HN 0.692 nan 8.270 nan 0.000 0.459 1130 G N 1.403 110.217 108.800 0.023 0.000 2.527 1130 G HA2 0.195 3.904 3.960 -0.418 0.000 0.279 1130 G HA3 0.195 3.904 3.960 -0.418 0.000 0.279 1130 G C -0.540 174.406 174.900 0.078 0.000 1.374 1130 G CA -0.406 44.723 45.100 0.048 0.000 1.053 1130 G HN 0.335 nan 8.290 nan 0.000 0.539 1131 V N -0.267 119.714 119.914 0.111 0.000 2.604 1131 V HA 0.442 4.311 4.120 -0.418 0.000 0.305 1131 V C -1.317 174.924 176.094 0.245 0.000 1.043 1131 V CA -0.656 61.736 62.300 0.153 0.000 0.888 1131 V CB 1.692 33.583 31.823 0.113 0.000 0.995 1131 V HN 0.631 nan 8.190 nan 0.000 0.429 1132 Y N 5.156 125.537 120.300 0.136 0.000 2.350 1132 Y HA 0.717 5.015 4.550 -0.420 0.000 0.338 1132 Y C -0.235 175.841 175.900 0.293 0.000 0.961 1132 Y CA -0.866 57.339 58.100 0.176 0.000 1.100 1132 Y CB 1.657 40.214 38.460 0.162 0.000 1.179 1132 Y HN 0.783 nan 8.280 nan 0.000 0.454 1133 Q N 3.706 123.346 119.800 -0.267 0.000 2.565 1133 Q HA 0.566 4.655 4.340 -0.418 0.000 0.294 1133 Q C -2.036 173.459 176.000 -0.842 0.000 1.005 1133 Q CA -1.410 54.139 55.803 -0.423 0.000 0.771 1133 Q CB 2.933 31.562 28.738 -0.181 0.000 1.486 1133 Q HN 0.604 nan 8.270 nan 0.000 0.422 1134 K N 1.375 121.055 120.400 -1.199 0.000 2.637 1134 K HA 0.361 4.430 4.320 -0.418 0.000 0.248 1134 K C -2.634 173.610 176.600 -0.593 0.000 0.971 1134 K CA -2.068 53.653 56.287 -0.944 0.000 0.858 1134 K CB 1.652 33.350 32.500 -1.336 0.000 1.170 1134 K HN 0.475 nan 8.250 nan 0.000 0.443 1135 P HA -0.140 nan 4.420 nan 0.000 0.257 1135 P C -0.797 176.387 177.300 -0.193 0.000 1.153 1135 P CA 0.803 63.776 63.100 -0.211 0.000 0.762 1135 P CB 0.268 31.880 31.700 -0.147 0.000 0.743 1136 N N 1.122 119.734 118.700 -0.146 0.000 2.936 1136 N HA -0.190 4.299 4.740 -0.418 0.000 0.236 1136 N C 0.785 176.222 175.510 -0.121 0.000 0.930 1136 N CA 1.522 54.502 53.050 -0.117 0.000 0.966 1136 N CB -1.569 36.841 38.487 -0.128 0.000 1.090 1136 N HN 0.495 nan 8.380 nan 0.000 0.592 1137 I N -1.321 119.168 120.570 -0.135 0.000 3.673 1137 I HA 0.210 4.129 4.170 -0.418 0.000 0.281 1137 I C 0.230 176.489 176.117 0.237 0.000 1.182 1137 I CA 0.354 61.651 61.300 -0.005 0.000 1.391 1137 I CB 0.267 38.228 38.000 -0.064 0.000 1.383 1137 I HN 0.041 nan 8.210 nan 0.000 0.456 1138 F N -0.886 119.080 119.950 0.027 0.000 2.741 1138 F HA 0.714 4.991 4.527 -0.416 0.000 0.311 1138 F C -0.864 174.898 175.800 -0.064 0.000 1.149 1138 F CA -1.382 56.618 58.000 -0.000 0.000 0.930 1138 F CB 1.444 40.414 39.000 -0.050 0.000 1.312 1138 F HN -0.314 nan 8.300 nan 0.000 0.450 1139 S N 1.515 117.404 115.700 0.316 0.000 2.461 1139 S HA 0.584 4.803 4.470 -0.418 0.000 0.245 1139 S C -2.069 172.670 174.600 0.232 0.000 1.039 1139 S CA -0.464 57.853 58.200 0.196 0.000 1.077 1139 S CB -0.045 63.203 63.200 0.080 0.000 1.171 1139 S HN 0.895 nan 8.310 nan 0.000 0.433 1140 N N 0.979 119.841 118.700 0.271 0.000 2.405 1140 N HA 0.593 5.082 4.740 -0.418 0.000 0.285 1140 N C -0.789 174.878 175.510 0.262 0.000 1.262 1140 N CA -1.142 52.082 53.050 0.289 0.000 0.773 1140 N CB 1.296 40.044 38.487 0.436 0.000 1.490 1140 N HN 0.502 nan 8.380 nan 0.000 0.486 1141 T N -1.919 112.760 114.554 0.208 0.000 2.918 1141 T HA 0.170 4.269 4.350 -0.418 0.000 0.302 1141 T C 0.300 175.088 174.700 0.148 0.000 1.045 1141 T CA -0.735 61.447 62.100 0.136 0.000 1.114 1141 T CB 0.311 69.219 68.868 0.066 0.000 0.965 1141 T HN 0.598 nan 8.240 nan 0.000 0.540 1142 R N 3.004 123.565 120.500 0.102 0.000 2.491 1142 R HA 0.295 4.384 4.340 -0.418 0.000 0.283 1142 R C 0.336 176.563 176.300 -0.122 0.000 1.072 1142 R CA -0.581 55.549 56.100 0.050 0.000 1.048 1142 R CB 0.283 30.600 30.300 0.029 0.000 0.983 1142 R HN 0.754 nan 8.270 nan 0.000 0.450 1143 L N 1.936 122.987 121.223 -0.287 0.000 2.221 1143 L HA 0.093 4.182 4.340 -0.418 0.000 0.202 1143 L C 0.235 176.799 176.870 -0.510 0.000 1.074 1143 L CA 0.214 54.735 54.840 -0.533 0.000 0.795 1143 L CB -0.091 41.418 42.059 -0.917 0.000 0.960 1143 L HN 0.620 nan 8.230 nan 0.000 0.458 1144 Y N 0.975 121.013 120.300 -0.437 0.000 2.568 1144 Y HA 0.376 4.674 4.550 -0.420 0.000 0.338 1144 Y C 0.377 175.758 175.900 -0.864 0.000 1.245 1144 Y CA -0.457 57.037 58.100 -1.011 0.000 1.667 1144 Y CB -0.317 37.812 38.460 -0.551 0.000 1.568 1144 Y HN -0.140 nan 8.280 nan 0.000 0.471 1145 T N 0.027 114.203 114.554 -0.629 0.000 2.885 1145 T HA 0.636 4.735 4.350 -0.418 0.000 0.322 1145 T C -0.153 174.625 174.700 0.130 0.000 1.387 1145 T CA 0.185 62.209 62.100 -0.127 0.000 1.041 1145 T CB 1.203 70.029 68.868 -0.069 0.000 1.287 1145 T HN 0.995 nan 8.240 nan 0.000 0.491 1146 G N 0.972 109.893 108.800 0.202 0.000 2.582 1146 G HA2 0.088 3.797 3.960 -0.418 0.000 0.222 1146 G HA3 0.088 3.797 3.960 -0.418 0.000 0.222 1146 G C -0.263 174.789 174.900 0.253 0.000 1.311 1146 G CA -0.091 45.132 45.100 0.205 0.000 0.915 1146 G HN 1.866 nan 8.290 nan 0.000 0.528 1147 V N -2.030 117.983 119.914 0.164 0.000 2.924 1147 V HA 0.687 4.557 4.120 -0.418 0.000 0.305 1147 V C 0.496 176.613 176.094 0.038 0.000 1.073 1147 V CA -0.059 62.299 62.300 0.097 0.000 1.098 1147 V CB 1.362 33.225 31.823 0.067 0.000 1.000 1147 V HN 0.802 nan 8.190 nan 0.000 0.484 1148 E N 1.809 121.977 120.200 -0.054 0.000 2.191 1148 E HA 0.648 4.748 4.350 -0.418 0.000 0.278 1148 E C -1.125 175.464 176.600 -0.018 0.000 0.972 1148 E CA -0.620 55.677 56.400 -0.171 0.000 0.804 1148 E CB 2.185 31.737 29.700 -0.246 0.000 1.110 1148 E HN 0.629 nan 8.360 nan 0.000 0.394 1149 V N 4.009 123.951 119.914 0.046 0.000 2.864 1149 V HA 0.537 4.406 4.120 -0.418 0.000 0.314 1149 V C -0.288 175.901 176.094 0.159 0.000 1.073 1149 V CA -0.660 61.717 62.300 0.129 0.000 0.956 1149 V CB 1.904 33.843 31.823 0.193 0.000 1.023 1149 V HN 0.541 nan 8.190 nan 0.000 0.435 1150 I N 3.437 124.094 120.570 0.145 0.000 2.647 1150 I HA 0.520 4.439 4.170 -0.418 0.000 0.295 1150 I C -1.040 175.163 176.117 0.143 0.000 1.078 1150 I CA -0.531 60.846 61.300 0.128 0.000 1.048 1150 I CB 2.334 40.379 38.000 0.075 0.000 1.239 1150 I HN 0.372 nan 8.210 nan 0.000 0.421 1151 I N 5.362 126.013 120.570 0.136 0.000 2.354 1151 I HA 0.463 4.382 4.170 -0.418 0.000 0.292 1151 I C -0.315 175.977 176.117 0.291 0.000 0.989 1151 I CA -0.735 60.650 61.300 0.141 0.000 1.188 1151 I CB 1.004 38.972 38.000 -0.054 0.000 1.342 1151 I HN 0.367 nan 8.210 nan 0.000 0.457 1152 R N 5.286 125.953 120.500 0.278 0.000 2.637 1152 R HA 0.497 4.586 4.340 -0.418 0.000 0.291 1152 R C -0.606 175.718 176.300 0.041 0.000 0.963 1152 R CA -1.086 55.132 56.100 0.196 0.000 0.901 1152 R CB 1.809 32.223 30.300 0.190 0.000 1.160 1152 R HN 0.524 nan 8.270 nan 0.000 0.457 1153 K N 1.455 121.665 120.400 -0.316 0.000 2.319 1153 K HA 0.034 4.103 4.320 -0.418 0.000 0.265 1153 K C 0.815 177.220 176.600 -0.325 0.000 1.000 1153 K CA -0.043 55.923 56.287 -0.535 0.000 0.943 1153 K CB 0.730 32.808 32.500 -0.704 0.000 0.950 1153 K HN 0.537 nan 8.250 nan 0.000 0.485 1162 T N 0.257 114.757 114.554 -0.089 0.000 3.022 1162 T HA 0.209 4.308 4.350 -0.418 0.000 0.250 1162 T C -0.643 173.973 174.700 -0.140 0.000 1.060 1162 T CA 0.947 62.992 62.100 -0.092 0.000 1.013 1162 T CB 0.024 68.851 68.868 -0.067 0.000 0.982 1162 T HN 0.648 nan 8.240 nan 0.000 0.508 1163 D N -0.934 119.354 120.400 -0.187 0.000 2.677 1163 D HA 0.310 4.699 4.640 -0.418 0.000 0.298 1163 D C -0.502 175.636 176.300 -0.271 0.000 1.250 1163 D CA -0.769 53.027 54.000 -0.339 0.000 0.888 1163 D CB 0.106 40.526 40.800 -0.633 0.000 1.397 1163 D HN -0.258 nan 8.370 nan 0.000 0.461 1164 N N -0.699 117.793 118.700 -0.347 0.000 2.273 1164 N HA 0.221 4.710 4.740 -0.418 0.000 0.231 1164 N C -0.739 174.854 175.510 0.139 0.000 1.134 1164 N CA -0.225 52.823 53.050 -0.004 0.000 0.856 1164 N CB 0.089 38.601 38.487 0.041 0.000 1.068 1164 N HN 0.350 nan 8.380 nan 0.000 0.510 1165 F N 0.753 120.753 119.950 0.084 0.000 2.456 1165 F HA 0.179 4.463 4.527 -0.405 0.000 0.358 1165 F C 0.955 176.728 175.800 -0.046 0.000 1.095 1165 F CA -0.835 57.136 58.000 -0.048 0.000 1.216 1165 F CB 0.961 39.847 39.000 -0.190 0.000 1.125 1165 F HN -0.291 nan 8.300 nan 0.000 0.549 1166 V N 5.273 125.152 119.914 -0.059 0.000 2.408 1166 V HA 0.299 4.168 4.120 -0.418 0.000 0.267 1166 V C 0.191 176.229 176.094 -0.094 0.000 1.047 1166 V CA -0.575 61.560 62.300 -0.275 0.000 0.937 1166 V CB 0.663 32.132 31.823 -0.590 0.000 0.999 1166 V HN 0.724 nan 8.190 nan 0.000 0.472 1167 R N 3.474 123.969 120.500 -0.009 0.000 2.720 1167 R HA 0.502 4.591 4.340 -0.418 0.000 0.272 1167 R C -0.370 175.911 176.300 -0.031 0.000 0.991 1167 R CA -1.081 55.004 56.100 -0.026 0.000 1.010 1167 R CB 1.600 31.900 30.300 0.000 0.000 1.141 1167 R HN 0.560 nan 8.270 nan 0.000 0.494 1168 K N 2.552 122.927 120.400 -0.042 0.000 2.484 1168 K HA -0.092 3.977 4.320 -0.418 0.000 0.280 1168 K C 0.002 176.588 176.600 -0.022 0.000 1.013 1168 K CA 0.330 56.596 56.287 -0.036 0.000 1.029 1168 K CB 0.141 32.617 32.500 -0.040 0.000 0.902 1168 K HN 0.667 nan 8.250 nan 0.000 0.481 1169 N N 0.783 119.473 118.700 -0.017 0.000 2.984 1169 N HA -0.153 4.336 4.740 -0.418 0.000 0.227 1169 N C -0.761 174.741 175.510 -0.014 0.000 0.903 1169 N CA 0.998 54.040 53.050 -0.014 0.000 0.995 1169 N CB -0.929 37.549 38.487 -0.015 0.000 1.065 1169 N HN 0.660 nan 8.380 nan 0.000 0.585 1170 D N 1.065 121.464 120.400 -0.002 0.000 2.423 1170 D HA 0.228 4.617 4.640 -0.418 0.000 0.238 1170 D C 0.758 177.049 176.300 -0.016 0.000 1.142 1170 D CA 0.249 54.259 54.000 0.017 0.000 0.884 1170 D CB 0.632 41.496 40.800 0.108 0.000 1.199 1170 D HN 0.143 nan 8.370 nan 0.000 0.438 1171 L N 1.608 122.798 121.223 -0.055 0.000 2.272 1171 L HA 0.635 4.724 4.340 -0.418 0.000 0.289 1171 L C 0.278 177.033 176.870 -0.191 0.000 1.032 1171 L CA -0.389 54.377 54.840 -0.123 0.000 0.810 1171 L CB 1.101 43.075 42.059 -0.141 0.000 1.205 1171 L HN 0.399 nan 8.230 nan 0.000 0.422 1172 A N 2.888 125.574 122.820 -0.223 0.000 2.524 1172 A HA 0.853 4.922 4.320 -0.418 0.000 0.289 1172 A C -1.969 175.408 177.584 -0.346 0.000 1.248 1172 A CA -0.448 51.433 52.037 -0.261 0.000 0.712 1172 A CB 1.434 20.476 19.000 0.070 0.000 1.312 1172 A HN 0.443 nan 8.150 nan 0.000 0.441 1173 Y N -0.417 119.895 120.300 0.021 0.000 2.446 1173 Y HA 0.646 4.946 4.550 -0.417 0.000 0.345 1173 Y C -0.166 175.754 175.900 0.033 0.000 0.984 1173 Y CA -1.320 56.785 58.100 0.008 0.000 1.058 1173 Y CB 1.733 40.209 38.460 0.027 0.000 1.220 1173 Y HN 0.370 nan 8.280 nan 0.000 0.455 1174 I N 3.932 124.625 120.570 0.205 0.000 2.389 1174 I HA 0.342 4.261 4.170 -0.418 0.000 0.288 1174 I C -0.884 175.337 176.117 0.173 0.000 0.999 1174 I CA -0.819 60.577 61.300 0.160 0.000 1.129 1174 I CB 1.397 39.468 38.000 0.119 0.000 1.288 1174 I HN 0.629 nan 8.210 nan 0.000 0.444 1175 N N 4.976 123.769 118.700 0.154 0.000 2.272 1175 N HA 0.464 4.954 4.740 -0.418 0.000 0.305 1175 N C -0.693 174.901 175.510 0.140 0.000 1.103 1175 N CA -0.486 52.649 53.050 0.142 0.000 0.791 1175 N CB 3.067 41.616 38.487 0.105 0.000 1.356 1175 N HN 0.163 nan 8.380 nan 0.000 0.486 1176 V N 1.187 121.199 119.914 0.163 0.000 2.465 1176 V HA 0.216 4.085 4.120 -0.418 0.000 0.279 1176 V C 0.042 176.246 176.094 0.183 0.000 1.045 1176 V CA -0.699 61.688 62.300 0.145 0.000 0.938 1176 V CB 1.700 33.596 31.823 0.122 0.000 0.986 1176 V HN 0.397 nan 8.190 nan 0.000 0.467 1177 V N 5.332 125.317 119.914 0.118 0.000 2.318 1177 V HA 0.465 4.334 4.120 -0.418 0.000 0.271 1177 V C -0.665 175.496 176.094 0.112 0.000 1.030 1177 V CA -0.249 62.118 62.300 0.112 0.000 0.844 1177 V CB 1.470 33.320 31.823 0.045 0.000 1.015 1177 V HN 0.967 nan 8.190 nan 0.000 0.460 1178 D N 5.503 126.019 120.400 0.194 0.000 2.381 1178 D HA 0.441 4.830 4.640 -0.418 0.000 0.235 1178 D C 0.458 176.845 176.300 0.146 0.000 1.068 1178 D CA -0.539 53.550 54.000 0.147 0.000 0.832 1178 D CB 0.962 41.830 40.800 0.113 0.000 1.101 1178 D HN 0.550 nan 8.370 nan 0.000 0.515 1179 R N 3.420 123.969 120.500 0.083 0.000 3.322 1179 R HA -0.192 3.897 4.340 -0.418 0.000 0.253 1179 R C -0.120 176.214 176.300 0.057 0.000 0.987 1179 R CA 0.951 57.089 56.100 0.064 0.000 0.666 1179 R CB -1.533 28.806 30.300 0.065 0.000 1.072 1179 R HN 0.667 nan 8.270 nan 0.000 0.447 1180 D N -3.547 116.880 120.400 0.045 0.000 2.946 1180 D HA -0.172 4.217 4.640 -0.418 0.000 0.202 1180 D C -0.428 175.880 176.300 0.012 0.000 1.068 1180 D CA 1.618 55.632 54.000 0.023 0.000 1.011 1180 D CB -0.814 39.993 40.800 0.011 0.000 1.105 1180 D HN 0.248 nan 8.370 nan 0.000 0.425 1181 V N 1.255 121.195 119.914 0.044 0.000 2.398 1181 V HA 0.253 4.122 4.120 -0.418 0.000 0.286 1181 V C 0.535 176.586 176.094 -0.072 0.000 1.026 1181 V CA -0.514 61.758 62.300 -0.047 0.000 0.868 1181 V CB 1.990 33.796 31.823 -0.029 0.000 0.982 1181 V HN -0.057 nan 8.190 nan 0.000 0.443 1182 E N 3.697 123.778 120.200 -0.199 0.000 2.249 1182 E HA 0.483 4.582 4.350 -0.418 0.000 0.280 1182 E C -1.675 174.727 176.600 -0.331 0.000 1.016 1182 E CA -0.396 55.933 56.400 -0.118 0.000 0.830 1182 E CB 1.394 31.057 29.700 -0.063 0.000 1.081 1182 E HN 0.614 nan 8.360 nan 0.000 0.395 1183 Y N 1.125 121.429 120.300 0.008 0.000 2.338 1183 Y HA 0.290 4.589 4.550 -0.419 0.000 0.333 1183 Y C 0.096 176.013 175.900 0.029 0.000 0.968 1183 Y CA -1.139 56.964 58.100 0.005 0.000 1.123 1183 Y CB 1.320 39.783 38.460 0.005 0.000 1.165 1183 Y HN 0.371 nan 8.280 nan 0.000 0.452 1184 R N 2.190 122.769 120.500 0.132 0.000 2.442 1184 R HA 0.323 4.413 4.340 -0.418 0.000 0.291 1184 R C -1.329 175.098 176.300 0.211 0.000 1.069 1184 R CA -0.259 55.919 56.100 0.130 0.000 1.022 1184 R CB 0.092 30.419 30.300 0.045 0.000 0.976 1184 R HN 0.664 nan 8.270 nan 0.000 0.443 1185 L N 5.786 127.161 121.223 0.254 0.000 2.360 1185 L HA 0.205 4.294 4.340 -0.418 0.000 0.276 1185 L C -0.647 176.480 176.870 0.429 0.000 1.121 1185 L CA 0.503 55.526 54.840 0.305 0.000 0.845 1185 L CB 0.300 42.566 42.059 0.345 0.000 1.143 1185 L HN 0.570 nan 8.230 nan 0.000 0.452 1186 Y N 3.241 123.643 120.300 0.170 0.000 2.391 1186 Y HA 0.678 4.977 4.550 -0.418 0.000 0.341 1186 Y C -0.160 175.733 175.900 -0.012 0.000 0.965 1186 Y CA -1.323 56.863 58.100 0.143 0.000 1.067 1186 Y CB 1.548 40.062 38.460 0.091 0.000 1.199 1186 Y HN 0.619 nan 8.280 nan 0.000 0.450 1187 A N 5.001 127.439 122.820 -0.636 0.000 2.343 1187 A HA 0.185 4.254 4.320 -0.418 0.000 0.305 1187 A C -0.400 176.787 177.584 -0.661 0.000 1.308 1187 A CA -0.472 51.177 52.037 -0.648 0.000 0.949 1187 A CB -0.302 18.270 19.000 -0.713 0.000 1.148 1187 A HN 0.728 nan 8.150 nan 0.000 0.545 1188 D N 3.539 123.784 120.400 -0.258 0.000 2.357 1188 D HA 0.018 4.407 4.640 -0.418 0.000 0.265 1188 D C 1.284 177.544 176.300 -0.067 0.000 1.334 1188 D CA -0.071 53.906 54.000 -0.039 0.000 0.984 1188 D CB 0.090 40.966 40.800 0.126 0.000 1.077 1188 D HN 0.574 nan 8.370 nan 0.000 0.514 1189 I N 0.770 121.286 120.570 -0.090 0.000 3.444 1189 I HA -0.087 3.832 4.170 -0.418 0.000 0.287 1189 I C 1.629 177.758 176.117 0.021 0.000 1.302 1189 I CA 0.141 61.419 61.300 -0.037 0.000 1.368 1189 I CB -0.282 37.702 38.000 -0.028 0.000 1.048 1189 I HN 0.150 nan 8.210 nan 0.000 0.487 1190 S N 1.708 117.440 115.700 0.053 0.000 2.453 1190 S HA -0.015 4.204 4.470 -0.418 0.000 0.231 1190 S C 1.840 176.464 174.600 0.040 0.000 1.005 1190 S CA 0.455 58.690 58.200 0.058 0.000 0.949 1190 S CB -0.668 62.579 63.200 0.078 0.000 0.774 1190 S HN 0.575 nan 8.310 nan 0.000 0.510 1191 I N 1.999 122.588 120.570 0.032 0.000 2.087 1191 I HA -0.220 3.699 4.170 -0.418 0.000 0.240 1191 I C 2.228 178.351 176.117 0.010 0.000 1.054 1191 I CA 1.457 62.769 61.300 0.020 0.000 1.311 1191 I CB -0.861 37.142 38.000 0.006 0.000 1.024 1191 I HN 0.559 nan 8.210 nan 0.000 0.402 1192 A N -0.302 122.520 122.820 0.004 0.000 3.462 1192 A HA -0.179 3.890 4.320 -0.418 0.000 0.231 1192 A C 0.451 178.030 177.584 -0.009 0.000 1.281 1192 A CA 0.728 52.767 52.037 0.003 0.000 1.268 1192 A CB -2.072 16.933 19.000 0.009 0.000 1.111 1192 A HN 0.482 nan 8.150 nan 0.000 0.881 1193 K N -0.491 119.894 120.400 -0.025 0.000 2.245 1193 K HA 0.603 4.672 4.320 -0.418 0.000 0.234 1193 K C -1.715 174.849 176.600 -0.059 0.000 1.021 1193 K CA -1.591 54.667 56.287 -0.048 0.000 0.898 1193 K CB 1.122 33.576 32.500 -0.076 0.000 1.163 1193 K HN 0.032 nan 8.250 nan 0.000 0.459 1194 P HA -0.097 nan 4.420 nan 0.000 0.223 1194 P C -0.662 176.568 177.300 -0.117 0.000 1.151 1194 P CA 1.213 64.270 63.100 -0.072 0.000 0.787 1194 P CB 0.237 31.897 31.700 -0.066 0.000 0.788 1195 E N 1.040 121.124 120.200 -0.192 0.000 2.115 1195 E HA 0.229 4.328 4.350 -0.418 0.000 0.282 1195 E C -0.088 176.442 176.600 -0.116 0.000 0.987 1195 E CA -0.252 56.026 56.400 -0.203 0.000 0.797 1195 E CB 0.555 30.021 29.700 -0.389 0.000 1.086 1195 E HN -0.056 nan 8.360 nan 0.000 0.397 1196 K N 3.182 123.527 120.400 -0.091 0.000 2.334 1196 K HA 0.319 4.388 4.320 -0.418 0.000 0.265 1196 K C 0.082 176.636 176.600 -0.077 0.000 1.039 1196 K CA -0.584 55.652 56.287 -0.085 0.000 0.920 1196 K CB 1.197 33.623 32.500 -0.124 0.000 1.160 1196 K HN 0.620 nan 8.250 nan 0.000 0.451 1197 I N 3.942 124.505 120.570 -0.012 0.000 2.683 1197 I HA -0.061 3.858 4.170 -0.418 0.000 0.286 1197 I C 0.062 176.216 176.117 0.062 0.000 1.175 1197 I CA -0.201 61.130 61.300 0.050 0.000 1.429 1197 I CB 0.413 38.475 38.000 0.103 0.000 1.371 1197 I HN 0.372 nan 8.210 nan 0.000 0.569 1198 I N 8.487 129.096 120.570 0.064 0.000 2.529 1198 I HA 0.178 4.097 4.170 -0.418 0.000 0.284 1198 I C 0.277 176.505 176.117 0.184 0.000 1.082 1198 I CA 0.193 61.522 61.300 0.049 0.000 1.406 1198 I CB 0.495 38.515 38.000 0.032 0.000 1.405 1198 I HN 0.596 nan 8.210 nan 0.000 0.548 1199 K N 5.869 126.370 120.400 0.167 0.000 2.395 1199 K HA 0.650 4.720 4.320 -0.418 0.000 0.247 1199 K C -1.184 175.484 176.600 0.112 0.000 0.973 1199 K CA -0.882 55.469 56.287 0.107 0.000 0.828 1199 K CB 2.610 35.157 32.500 0.079 0.000 1.272 1199 K HN 0.353 nan 8.250 nan 0.000 0.439 1200 L N 2.953 124.187 121.223 0.020 0.000 2.272 1200 L HA 0.465 4.554 4.340 -0.418 0.000 0.289 1200 L C -0.656 176.265 176.870 0.086 0.000 1.032 1200 L CA -0.886 53.997 54.840 0.071 0.000 0.810 1200 L CB 0.913 42.964 42.059 -0.013 0.000 1.205 1200 L HN 0.455 nan 8.230 nan 0.000 0.422 1201 I N 3.767 124.409 120.570 0.120 0.000 2.389 1201 I HA 0.332 4.251 4.170 -0.418 0.000 0.288 1201 I C 0.245 176.408 176.117 0.076 0.000 0.999 1201 I CA -0.477 60.855 61.300 0.053 0.000 1.129 1201 I CB 1.427 39.373 38.000 -0.092 0.000 1.288 1201 I HN 0.509 nan 8.210 nan 0.000 0.444 1202 R N 4.640 125.183 120.500 0.072 0.000 2.537 1202 R HA 0.152 4.241 4.340 -0.418 0.000 0.281 1202 R C 0.215 176.415 176.300 -0.167 0.000 0.988 1202 R CA 0.770 56.768 56.100 -0.170 0.000 1.077 1202 R CB 0.316 30.515 30.300 -0.170 0.000 0.932 1202 R HN 0.856 nan 8.270 nan 0.000 0.409 1211 G N 0.632 109.516 108.800 0.140 0.000 4.469 1211 G HA2 0.189 3.898 3.960 -0.418 0.000 0.183 1211 G HA3 0.189 3.898 3.960 -0.418 0.000 0.183 1211 G C -0.096 174.943 174.900 0.231 0.000 0.797 1211 G CA -0.006 45.206 45.100 0.187 0.000 0.770 1211 G HN 0.387 nan 8.290 nan 0.000 0.484 1212 Q N -0.157 119.810 119.800 0.278 0.000 2.544 1212 Q HA 0.780 4.869 4.340 -0.418 0.000 0.291 1212 Q C -0.959 175.215 176.000 0.290 0.000 1.068 1212 Q CA -1.067 54.897 55.803 0.269 0.000 0.785 1212 Q CB 2.862 31.789 28.738 0.315 0.000 1.481 1212 Q HN 0.481 nan 8.270 nan 0.000 0.430 1213 I N -2.470 118.202 120.570 0.170 0.000 2.894 1213 I HA 0.636 4.555 4.170 -0.418 0.000 0.302 1213 I C -1.317 174.738 176.117 -0.103 0.000 1.188 1213 I CA -1.189 60.140 61.300 0.049 0.000 1.014 1213 I CB 1.942 39.934 38.000 -0.014 0.000 1.242 1213 I HN 0.505 nan 8.210 nan 0.000 0.430 1214 I N 4.179 124.616 120.570 -0.222 0.000 2.433 1214 I HA 0.426 4.345 4.170 -0.418 0.000 0.292 1214 I C -0.565 175.453 176.117 -0.166 0.000 1.001 1214 I CA -1.166 59.939 61.300 -0.325 0.000 1.119 1214 I CB 2.155 39.864 38.000 -0.485 0.000 1.289 1214 I HN 0.317 nan 8.210 nan 0.000 0.438 1215 V N 6.713 126.572 119.914 -0.093 0.000 2.406 1215 V HA 0.296 4.165 4.120 -0.418 0.000 0.272 1215 V C 0.439 176.517 176.094 -0.027 0.000 1.043 1215 V CA -0.544 61.731 62.300 -0.041 0.000 0.915 1215 V CB 1.123 32.947 31.823 0.001 0.000 0.988 1215 V HN 0.572 nan 8.190 nan 0.000 0.466 1216 M N 4.188 123.769 119.600 -0.032 0.000 2.235 1216 M HA 0.533 4.762 4.480 -0.418 0.000 0.351 1216 M C -0.319 175.972 176.300 -0.015 0.000 1.178 1216 M CA 0.114 55.397 55.300 -0.027 0.000 1.143 1216 M CB 0.712 33.278 32.600 -0.056 0.000 1.530 1216 M HN 0.782 nan 8.290 nan 0.000 0.461 1217 D N 0.123 120.518 120.400 -0.009 0.000 2.725 1217 D HA 0.598 4.987 4.640 -0.418 0.000 0.292 1217 D C -1.604 174.672 176.300 -0.039 0.000 1.288 1217 D CA -0.135 53.854 54.000 -0.018 0.000 0.784 1217 D CB 1.578 42.380 40.800 0.003 0.000 1.308 1217 D HN 0.661 nan 8.370 nan 0.000 0.429 1218 S N 0.215 115.875 115.700 -0.068 0.000 2.564 1218 S HA 0.725 4.944 4.470 -0.418 0.000 0.274 1218 S C -1.352 173.161 174.600 -0.146 0.000 1.124 1218 S CA -0.887 57.240 58.200 -0.122 0.000 0.869 1218 S CB 1.299 64.437 63.200 -0.103 0.000 1.105 1218 S HN 0.381 nan 8.310 nan 0.000 0.472 1219 I N 2.696 123.117 120.570 -0.250 0.000 2.537 1219 I HA 0.555 4.474 4.170 -0.418 0.000 0.276 1219 I C 1.257 177.266 176.117 -0.181 0.000 1.063 1219 I CA 0.645 61.822 61.300 -0.205 0.000 1.144 1219 I CB -0.148 37.670 38.000 -0.303 0.000 1.252 1219 I HN 1.280 nan 8.210 nan 0.000 0.480 1220 G N 7.053 115.789 108.800 -0.107 0.000 2.556 1220 G HA2 -0.318 3.392 3.960 -0.418 0.000 0.283 1220 G HA3 -0.318 3.392 3.960 -0.418 0.000 0.283 1220 G C 0.690 175.526 174.900 -0.107 0.000 1.177 1220 G CA 0.244 45.292 45.100 -0.086 0.000 0.978 1220 G HN 0.524 nan 8.290 nan 0.000 0.554 1221 N N 2.227 120.877 118.700 -0.083 0.000 2.398 1221 N HA 0.022 4.511 4.740 -0.418 0.000 0.188 1221 N C 0.407 175.859 175.510 -0.097 0.000 1.122 1221 N CA 0.557 53.562 53.050 -0.076 0.000 0.866 1221 N CB -0.192 38.267 38.487 -0.047 0.000 0.970 1221 N HN 0.593 nan 8.380 nan 0.000 0.462 1222 N N 0.229 118.817 118.700 -0.187 0.000 2.472 1222 N HA 0.203 4.692 4.740 -0.418 0.000 0.277 1222 N C -0.704 174.622 175.510 -0.308 0.000 1.081 1222 N CA -0.168 52.693 53.050 -0.315 0.000 0.973 1222 N CB 1.130 39.175 38.487 -0.736 0.000 1.105 1222 N HN -0.025 nan 8.380 nan 0.000 0.470 1223 C N 1.466 120.691 119.300 -0.124 0.000 2.358 1223 C HA 0.668 4.877 4.460 -0.418 0.000 0.342 1223 C C 0.610 175.648 174.990 0.079 0.000 1.234 1223 C CA -0.702 58.325 59.018 0.016 0.000 1.969 1223 C CB 0.268 28.160 27.740 0.254 0.000 2.346 1223 C HN 0.750 nan 8.230 nan 0.000 0.525 1224 T N 0.762 115.363 114.554 0.079 0.000 2.893 1224 T HA 0.770 4.869 4.350 -0.418 0.000 0.291 1224 T C -0.910 173.879 174.700 0.149 0.000 1.028 1224 T CA -0.657 61.544 62.100 0.169 0.000 0.995 1224 T CB 1.226 70.171 68.868 0.128 0.000 1.051 1224 T HN 0.569 nan 8.240 nan 0.000 0.470 1225 M N 3.107 122.811 119.600 0.173 0.000 2.093 1225 M HA 0.387 4.616 4.480 -0.418 0.000 0.297 1225 M C -0.714 175.669 176.300 0.139 0.000 0.938 1225 M CA -0.635 54.717 55.300 0.086 0.000 0.920 1225 M CB 1.646 34.262 32.600 0.026 0.000 1.517 1225 M HN 0.687 nan 8.290 nan 0.000 0.427 1226 N N 2.974 121.735 118.700 0.103 0.000 2.439 1226 N HA 0.382 4.871 4.740 -0.418 0.000 0.249 1226 N C -1.565 174.031 175.510 0.144 0.000 1.003 1226 N CA -0.152 53.022 53.050 0.206 0.000 0.942 1226 N CB 0.504 39.129 38.487 0.230 0.000 1.115 1226 N HN 0.371 nan 8.380 nan 0.000 0.505 1227 F N 1.982 122.013 119.950 0.136 0.000 2.484 1227 F HA 0.252 4.528 4.527 -0.419 0.000 0.360 1227 F C 1.013 176.882 175.800 0.115 0.000 1.101 1227 F CA 0.327 58.390 58.000 0.106 0.000 1.251 1227 F CB 0.797 39.841 39.000 0.073 0.000 1.132 1227 F HN 0.291 nan 8.300 nan 0.000 0.570 1228 Q N 2.513 122.450 119.800 0.228 0.000 2.416 1228 Q HA 0.286 4.375 4.340 -0.418 0.000 0.281 1228 Q C -0.863 175.225 176.000 0.147 0.000 1.067 1228 Q CA -1.211 54.690 55.803 0.163 0.000 0.809 1228 Q CB 2.660 31.457 28.738 0.098 0.000 1.418 1228 Q HN 0.719 nan 8.270 nan 0.000 0.411 1229 N N -0.196 118.575 118.700 0.118 0.000 2.364 1229 N HA 0.113 4.602 4.740 -0.418 0.000 0.264 1229 N C -0.010 175.558 175.510 0.097 0.000 1.263 1229 N CA -0.484 52.633 53.050 0.112 0.000 0.959 1229 N CB 0.714 39.256 38.487 0.091 0.000 1.204 1229 N HN 0.546 nan 8.380 nan 0.000 0.550 1230 N N -0.610 118.149 118.700 0.098 0.000 2.443 1230 N HA -0.101 4.389 4.740 -0.418 0.000 0.184 1230 N C 0.151 175.695 175.510 0.057 0.000 1.037 1230 N CA 0.706 53.806 53.050 0.082 0.000 0.896 1230 N CB -0.174 38.363 38.487 0.084 0.000 0.959 1230 N HN 0.486 nan 8.380 nan 0.000 0.442 1231 N N -0.561 118.171 118.700 0.053 0.000 2.336 1231 N HA 0.117 4.606 4.740 -0.418 0.000 0.189 1231 N C 0.969 176.498 175.510 0.031 0.000 1.113 1231 N CA 0.453 53.526 53.050 0.038 0.000 0.858 1231 N CB 0.834 39.342 38.487 0.036 0.000 0.970 1231 N HN 0.204 nan 8.380 nan 0.000 0.471 1232 G N -0.850 107.972 108.800 0.037 0.000 2.199 1232 G HA2 -0.229 3.480 3.960 -0.418 0.000 0.254 1232 G HA3 -0.229 3.480 3.960 -0.418 0.000 0.254 1232 G C 0.530 175.447 174.900 0.028 0.000 0.982 1232 G CA -0.097 45.020 45.100 0.027 0.000 0.632 1232 G HN 0.579 nan 8.290 nan 0.000 0.529 1233 G N 0.278 109.100 108.800 0.037 0.000 2.380 1233 G HA2 0.396 4.106 3.960 -0.418 0.000 0.242 1233 G HA3 0.396 4.106 3.960 -0.418 0.000 0.242 1233 G C 0.114 175.051 174.900 0.062 0.000 1.298 1233 G CA -0.087 45.036 45.100 0.037 0.000 0.878 1233 G HN 0.335 nan 8.290 nan 0.000 0.542 1234 N N 1.204 119.935 118.700 0.052 0.000 2.497 1234 N HA 0.134 4.623 4.740 -0.418 0.000 0.268 1234 N C 1.170 176.800 175.510 0.200 0.000 1.171 1234 N CA -0.185 52.936 53.050 0.119 0.000 0.948 1234 N CB 1.841 40.324 38.487 -0.006 0.000 1.069 1234 N HN 0.408 nan 8.380 nan 0.000 0.460 1235 I N 0.064 120.792 120.570 0.262 0.000 2.947 1235 I HA 0.244 4.163 4.170 -0.418 0.000 0.263 1235 I C 1.144 177.404 176.117 0.238 0.000 1.130 1235 I CA 0.200 61.624 61.300 0.206 0.000 1.448 1235 I CB 0.259 38.354 38.000 0.159 0.000 1.222 1235 I HN 0.560 nan 8.210 nan 0.000 0.453 1236 G N 0.961 109.951 108.800 0.317 0.000 2.358 1236 G HA2 0.262 3.971 3.960 -0.418 0.000 0.303 1236 G HA3 0.262 3.971 3.960 -0.418 0.000 0.303 1236 G C -1.285 173.736 174.900 0.202 0.000 1.537 1236 G CA -0.904 44.271 45.100 0.124 0.000 0.928 1236 G HN -0.046 nan 8.290 nan 0.000 0.656 1237 L N 0.773 122.033 121.223 0.062 0.000 2.397 1237 L HA 0.401 4.490 4.340 -0.418 0.000 0.271 1237 L C 0.771 177.808 176.870 0.278 0.000 1.148 1237 L CA -0.793 54.169 54.840 0.203 0.000 0.825 1237 L CB 1.102 43.208 42.059 0.078 0.000 1.117 1237 L HN 0.588 nan 8.230 nan 0.000 0.456 1238 L N 2.467 123.912 121.223 0.368 0.000 2.455 1238 L HA 0.446 4.535 4.340 -0.418 0.000 0.272 1238 L C 0.385 177.551 176.870 0.493 0.000 1.174 1238 L CA 1.001 56.085 54.840 0.407 0.000 0.869 1238 L CB 0.437 42.706 42.059 0.349 0.000 1.130 1238 L HN 0.710 nan 8.230 nan 0.000 0.474 1239 G N 3.663 112.768 108.800 0.509 0.000 2.726 1239 G HA2 0.533 4.242 3.960 -0.418 0.000 0.198 1239 G HA3 0.533 4.242 3.960 -0.418 0.000 0.198 1239 G C -1.434 173.829 174.900 0.605 0.000 1.195 1239 G CA -0.006 45.377 45.100 0.471 0.000 0.951 1239 G HN 0.788 nan 8.290 nan 0.000 0.532 1240 F N -1.902 118.272 119.950 0.373 0.000 2.654 1240 F HA 0.758 5.032 4.527 -0.421 0.000 0.308 1240 F C 0.101 176.033 175.800 0.220 0.000 1.108 1240 F CA -0.795 57.357 58.000 0.254 0.000 0.957 1240 F CB 1.476 40.581 39.000 0.173 0.000 1.309 1240 F HN 0.693 nan 8.300 nan 0.000 0.446 1241 H N 0.265 119.431 119.070 0.160 0.000 2.334 1241 H HA 0.231 4.535 4.556 -0.419 0.000 0.307 1241 H C 0.787 176.169 175.328 0.089 0.000 1.092 1241 H CA 0.941 56.963 56.048 -0.043 0.000 1.567 1241 H CB 0.970 30.692 29.762 -0.068 0.000 1.505 1241 H HN 0.696 nan 8.280 nan 0.000 0.637 1242 S N -0.575 115.114 115.700 -0.018 0.000 2.836 1242 S HA 0.099 4.318 4.470 -0.418 0.000 0.164 1242 S C 0.969 175.600 174.600 0.052 0.000 0.714 1242 S CA -0.078 58.059 58.200 -0.104 0.000 0.906 1242 S CB -0.122 62.961 63.200 -0.194 0.000 0.702 1242 S HN 0.520 nan 8.310 nan 0.000 0.571 1243 N N 1.022 119.722 118.700 0.001 0.000 2.230 1243 N HA 0.261 4.750 4.740 -0.418 0.000 0.202 1243 N C -1.038 174.484 175.510 0.020 0.000 1.119 1243 N CA -0.166 52.877 53.050 -0.011 0.000 0.851 1243 N CB 0.278 38.740 38.487 -0.042 0.000 0.990 1243 N HN 0.331 nan 8.380 nan 0.000 0.497 1244 N N 0.757 119.503 118.700 0.076 0.000 2.265 1244 N HA 0.277 4.766 4.740 -0.418 0.000 0.300 1244 N C -1.004 174.635 175.510 0.215 0.000 1.148 1244 N CA -0.587 52.522 53.050 0.098 0.000 0.772 1244 N CB 1.875 40.363 38.487 0.002 0.000 1.434 1244 N HN -0.122 nan 8.380 nan 0.000 0.481 1245 L N 0.946 122.305 121.223 0.227 0.000 2.439 1245 L HA 0.379 4.468 4.340 -0.418 0.000 0.269 1245 L C 0.378 177.374 176.870 0.210 0.000 1.179 1245 L CA -0.019 54.999 54.840 0.296 0.000 0.828 1245 L CB 0.796 43.009 42.059 0.257 0.000 1.106 1245 L HN 0.494 nan 8.230 nan 0.000 0.467 1246 V N -0.258 119.786 119.914 0.217 0.000 3.206 1246 V HA 0.966 4.835 4.120 -0.418 0.000 0.305 1246 V C -0.857 175.275 176.094 0.065 0.000 1.257 1246 V CA -0.961 61.393 62.300 0.090 0.000 1.057 1246 V CB 1.654 33.521 31.823 0.073 0.000 1.075 1246 V HN 0.871 nan 8.190 nan 0.000 0.443 1247 A N 1.188 123.961 122.820 -0.078 0.000 2.271 1247 A HA 0.877 4.946 4.320 -0.418 0.000 0.317 1247 A C -0.128 177.462 177.584 0.009 0.000 1.245 1247 A CA -0.094 51.898 52.037 -0.075 0.000 0.857 1247 A CB 1.013 19.800 19.000 -0.356 0.000 1.175 1247 A HN 1.610 nan 8.150 nan 0.000 0.512 1248 S N 1.098 116.868 115.700 0.116 0.000 2.557 1248 S HA 0.434 4.653 4.470 -0.418 0.000 0.291 1248 S C 1.048 175.596 174.600 -0.087 0.000 1.116 1248 S CA 0.086 58.290 58.200 0.006 0.000 0.992 1248 S CB 1.280 64.421 63.200 -0.098 0.000 1.028 1248 S HN 1.279 nan 8.310 nan 0.000 0.484 1249 S N 3.554 119.190 115.700 -0.108 0.000 2.515 1249 S HA -0.061 4.158 4.470 -0.418 0.000 0.231 1249 S C 1.409 175.911 174.600 -0.163 0.000 0.987 1249 S CA 0.186 58.271 58.200 -0.192 0.000 0.936 1249 S CB -0.570 62.729 63.200 0.166 0.000 0.766 1249 S HN 0.889 nan 8.310 nan 0.000 0.528 1250 W N 2.052 123.159 121.300 -0.321 0.000 2.342 1250 W HA -0.141 4.268 4.660 -0.418 0.000 0.297 1250 W C 1.448 177.784 176.519 -0.305 0.000 1.213 1250 W CA 1.192 58.341 57.345 -0.327 0.000 1.251 1250 W CB -0.545 28.631 29.460 -0.473 0.000 1.136 1250 W HN 0.350 nan 8.180 nan 0.000 0.526 1251 Y N -1.063 119.120 120.300 -0.195 0.000 2.274 1251 Y HA -0.319 3.982 4.550 -0.415 0.000 0.290 1251 Y C 2.257 177.962 175.900 -0.326 0.000 1.145 1251 Y CA 1.640 59.536 58.100 -0.340 0.000 1.203 1251 Y CB -1.149 37.227 38.460 -0.141 0.000 0.984 1251 Y HN -0.083 nan 8.280 nan 0.000 0.533 1252 Y N -0.188 120.122 120.300 0.016 0.000 2.139 1252 Y HA -0.295 4.002 4.550 -0.421 0.000 0.282 1252 Y C 1.473 177.310 175.900 -0.105 0.000 1.179 1252 Y CA 1.550 59.640 58.100 -0.015 0.000 1.161 1252 Y CB -1.053 37.407 38.460 0.000 0.000 0.970 1252 Y HN 0.237 nan 8.280 nan 0.000 0.511 1253 N N -0.836 117.820 118.700 -0.074 0.000 2.214 1253 N HA 0.059 4.548 4.740 -0.418 0.000 0.214 1253 N C -0.272 175.045 175.510 -0.321 0.000 1.132 1253 N CA -0.025 52.934 53.050 -0.151 0.000 0.856 1253 N CB 0.245 38.657 38.487 -0.126 0.000 1.020 1253 N HN 0.193 nan 8.380 nan 0.000 0.509 1254 N N 1.080 119.474 118.700 -0.510 0.000 2.610 1254 N HA 0.237 4.726 4.740 -0.418 0.000 0.307 1254 N C -1.115 174.131 175.510 -0.440 0.000 1.813 1254 N CA -0.011 52.629 53.050 -0.683 0.000 0.901 1254 N CB 1.282 38.750 38.487 -1.698 0.000 1.354 1254 N HN 0.127 nan 8.380 nan 0.000 0.491 1255 I N 1.417 121.855 120.570 -0.220 0.000 2.336 1255 I HA 0.249 4.168 4.170 -0.418 0.000 0.292 1255 I C 0.461 176.506 176.117 -0.119 0.000 0.991 1255 I CA -0.606 60.605 61.300 -0.149 0.000 1.227 1255 I CB 1.199 39.175 38.000 -0.040 0.000 1.366 1255 I HN -0.201 nan 8.210 nan 0.000 0.466 1256 R N 5.540 125.953 120.500 -0.146 0.000 2.351 1256 R HA 0.065 4.154 4.340 -0.418 0.000 0.318 1256 R C 1.043 177.314 176.300 -0.049 0.000 1.055 1256 R CA -0.242 55.805 56.100 -0.088 0.000 0.968 1256 R CB 0.694 30.940 30.300 -0.089 0.000 0.974 1256 R HN 0.526 nan 8.270 nan 0.000 0.439 1257 K N 2.594 122.989 120.400 -0.008 0.000 2.015 1257 K HA -0.213 3.856 4.320 -0.418 0.000 0.216 1257 K C 0.050 176.686 176.600 0.059 0.000 1.052 1257 K CA 1.940 58.245 56.287 0.030 0.000 0.937 1257 K CB 0.090 32.602 32.500 0.020 0.000 0.719 1257 K HN 0.487 nan 8.250 nan 0.000 0.446 1258 N N -0.123 118.604 118.700 0.046 0.000 2.699 1258 N HA 0.104 4.593 4.740 -0.418 0.000 0.317 1258 N C -1.366 174.183 175.510 0.066 0.000 1.661 1258 N CA -0.243 52.845 53.050 0.063 0.000 0.979 1258 N CB 1.806 40.321 38.487 0.047 0.000 1.329 1258 N HN 0.042 nan 8.380 nan 0.000 0.497 1259 T N -1.726 112.876 114.554 0.080 0.000 2.840 1259 T HA 0.274 4.373 4.350 -0.418 0.000 0.317 1259 T C 0.233 175.009 174.700 0.127 0.000 1.401 1259 T CA -0.593 61.550 62.100 0.072 0.000 1.028 1259 T CB 0.836 69.716 68.868 0.020 0.000 1.317 1259 T HN 0.073 nan 8.240 nan 0.000 0.495 1260 S N 0.909 116.694 115.700 0.142 0.000 2.575 1260 S HA 0.168 4.387 4.470 -0.418 0.000 0.215 1260 S C 0.861 175.508 174.600 0.078 0.000 0.966 1260 S CA -0.215 58.149 58.200 0.274 0.000 0.911 1260 S CB 0.039 63.363 63.200 0.207 0.000 0.780 1260 S HN 0.495 nan 8.310 nan 0.000 0.514 1261 S N 3.805 119.488 115.700 -0.028 0.000 4.175 1261 S HA 0.271 4.490 4.470 -0.418 0.000 0.193 1261 S C -0.321 174.175 174.600 -0.174 0.000 1.373 1261 S CA -0.388 57.771 58.200 -0.069 0.000 0.908 1261 S CB -0.708 62.476 63.200 -0.027 0.000 1.547 1261 S HN 0.462 nan 8.310 nan 0.000 0.440 1262 N N 0.255 118.759 118.700 -0.327 0.000 2.295 1262 N HA 0.223 4.712 4.740 -0.418 0.000 0.293 1262 N C 0.973 176.317 175.510 -0.278 0.000 1.040 1262 N CA -0.400 52.389 53.050 -0.435 0.000 0.840 1262 N CB 1.894 39.698 38.487 -1.138 0.000 1.468 1262 N HN 0.394 nan 8.380 nan 0.000 0.478 1263 G N 0.370 109.109 108.800 -0.102 0.000 2.501 1263 G HA2 -0.205 3.504 3.960 -0.418 0.000 0.220 1263 G HA3 -0.205 3.504 3.960 -0.418 0.000 0.220 1263 G C 1.223 175.886 174.900 -0.395 0.000 1.114 1263 G CA 0.775 45.805 45.100 -0.116 0.000 0.757 1263 G HN 0.734 nan 8.290 nan 0.000 0.559 1264 C N -2.031 116.906 119.300 -0.606 0.000 2.855 1264 C HA 0.599 4.808 4.460 -0.418 0.000 0.279 1264 C C 0.062 175.058 174.990 0.009 0.000 1.270 1264 C CA -1.776 56.922 59.018 -0.534 0.000 1.702 1264 C CB -1.370 25.804 27.740 -0.944 0.000 1.949 1264 C HN -0.005 nan 8.230 nan 0.000 0.618 1265 F N 1.554 121.255 119.950 -0.415 0.000 2.410 1265 F HA 0.606 4.888 4.527 -0.408 0.000 0.349 1265 F C -0.161 175.369 175.800 -0.451 0.000 1.117 1265 F CA -1.488 56.359 58.000 -0.254 0.000 1.104 1265 F CB 0.323 39.231 39.000 -0.154 0.000 1.122 1265 F HN 0.324 nan 8.300 nan 0.000 0.483 1266 W N 0.798 122.114 121.300 0.027 0.000 2.820 1266 W HA 0.697 5.104 4.660 -0.423 0.000 0.350 1266 W C -0.671 175.739 176.519 -0.183 0.000 1.116 1266 W CA -0.644 56.629 57.345 -0.120 0.000 1.146 1266 W CB 1.767 31.070 29.460 -0.261 0.000 1.433 1266 W HN 0.181 nan 8.180 nan 0.000 0.561 1267 S N 0.895 116.595 115.700 0.000 0.000 2.547 1267 S HA 0.595 4.814 4.470 -0.418 0.000 0.281 1267 S C -1.539 172.918 174.600 -0.238 0.000 1.118 1267 S CA -0.728 57.456 58.200 -0.025 0.000 0.947 1267 S CB 0.736 64.025 63.200 0.147 0.000 1.053 1267 S HN 0.201 nan 8.310 nan 0.000 0.482 1268 F N 2.426 122.324 119.950 -0.088 0.000 2.404 1268 F HA 0.528 4.799 4.527 -0.427 0.000 0.354 1268 F C 0.182 175.906 175.800 -0.127 0.000 1.122 1268 F CA -0.653 57.213 58.000 -0.222 0.000 1.080 1268 F CB 0.621 39.171 39.000 -0.749 0.000 1.131 1268 F HN 0.324 nan 8.300 nan 0.000 0.471 1269 I N 3.442 124.104 120.570 0.155 0.000 2.330 1269 I HA 0.266 4.185 4.170 -0.418 0.000 0.289 1269 I C -0.207 176.248 176.117 0.563 0.000 1.001 1269 I CA -0.535 60.832 61.300 0.112 0.000 1.193 1269 I CB 1.203 39.060 38.000 -0.238 0.000 1.345 1269 I HN 0.547 nan 8.210 nan 0.000 0.461 1270 S N 5.477 121.597 115.700 0.701 0.000 2.508 1270 S HA 0.350 4.570 4.470 -0.418 0.000 0.284 1270 S C -0.314 174.670 174.600 0.640 0.000 1.192 1270 S CA -0.978 57.596 58.200 0.624 0.000 1.070 1270 S CB 1.665 65.200 63.200 0.558 0.000 1.004 1270 S HN 0.612 nan 8.310 nan 0.000 0.493 1271 K N 1.990 122.534 120.400 0.241 0.000 2.412 1271 K HA 0.137 4.206 4.320 -0.418 0.000 0.284 1271 K C -0.421 176.242 176.600 0.105 0.000 1.046 1271 K CA 0.410 56.578 56.287 -0.199 0.000 0.999 1271 K CB 0.208 32.413 32.500 -0.493 0.000 0.941 1271 K HN 0.782 nan 8.250 nan 0.000 0.474 1272 E N 1.677 122.026 120.200 0.249 0.000 2.393 1272 E HA 0.053 4.152 4.350 -0.418 0.000 0.273 1272 E C 0.104 176.804 176.600 0.166 0.000 0.918 1272 E CA -0.828 55.673 56.400 0.169 0.000 0.773 1272 E CB 1.164 30.889 29.700 0.041 0.000 1.275 1272 E HN 0.630 nan 8.360 nan 0.000 0.451 1273 H N 1.915 121.022 119.070 0.062 0.000 2.422 1273 H HA -0.087 4.218 4.556 -0.419 0.000 0.298 1273 H C 1.513 176.904 175.328 0.105 0.000 1.098 1273 H CA 2.084 58.184 56.048 0.086 0.000 1.315 1273 H CB 0.177 29.991 29.762 0.085 0.000 1.382 1273 H HN 0.723 nan 8.280 nan 0.000 0.523 1274 G N -0.909 107.971 108.800 0.133 0.000 2.559 1274 G HA2 -0.192 3.517 3.960 -0.418 0.000 0.216 1274 G HA3 -0.192 3.517 3.960 -0.418 0.000 0.216 1274 G C 0.317 175.216 174.900 -0.001 0.000 1.126 1274 G CA 0.053 45.169 45.100 0.026 0.000 0.778 1274 G HN 0.438 nan 8.290 nan 0.000 0.543 1275 W N 1.147 122.349 121.300 -0.164 0.000 2.664 1275 W HA 0.529 4.941 4.660 -0.414 0.000 0.314 1275 W C -1.264 175.276 176.519 0.036 0.000 1.010 1275 W CA -0.987 56.313 57.345 -0.074 0.000 1.306 1275 W CB 0.492 29.955 29.460 0.005 0.000 1.254 1275 W HN -0.011 nan 8.180 nan 0.000 0.404 1276 Q N 3.550 123.226 119.800 -0.207 0.000 2.274 1276 Q HA 0.487 4.576 4.340 -0.418 0.000 0.260 1276 Q C -0.406 175.527 176.000 -0.111 0.000 0.974 1276 Q CA -0.436 55.309 55.803 -0.096 0.000 0.876 1276 Q CB 3.154 31.693 28.738 -0.331 0.000 1.297 1276 Q HN 0.401 nan 8.270 nan 0.000 0.446 1277 E N 0.739 120.924 120.200 -0.025 0.000 2.410 1277 E HA 0.279 4.378 4.350 -0.418 0.000 0.269 1277 E C -0.863 175.398 176.600 -0.565 0.000 0.937 1277 E CA -0.801 55.344 56.400 -0.424 0.000 0.793 1277 E CB 1.914 31.476 29.700 -0.231 0.000 1.314 1277 E HN 0.473 nan 8.360 nan 0.000 0.447 1278 N N 0.000 118.002 118.700 -1.163 0.000 1.763 1278 N HA 0.000 4.489 4.740 -0.418 0.000 0.220 1278 N CA 0.000 52.721 53.050 -0.549 0.000 0.885 1278 N CB 0.000 38.214 38.487 -0.456 0.000 1.341 1278 N HN 0.000 nan 8.380 nan 0.000 0.667