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 3fjx_1_A DATA FIRST_RESID 1 DATA SEQUENCE MESLTLQPIA RVDGTINLPG SKSVSNRALL LAALAHGKTV LTNLLDSDDV DATA SEQUENCE RHMLNALTAL GVSYTLSADR TRCEIIGNGG PLHAEGALEL FLGNAGIAMR DATA SEQUENCE PLAAALCLGS NDIVLTGEPR MKERPIGHLV DALRLGGAKI TYLEQENYPP DATA SEQUENCE LRLQGGFTGG NVDVDGSVSS QFLTALLMTA PLAPEDTVIR IKGDLVSKPY DATA SEQUENCE IDITLNLMKT FGVEIENQHY QQFVVKGGQS YQSPGTYLVE GDASSASYFL DATA SEQUENCE AAAAIKGGTV KVTGIGRNSM QGDIRFADVL EKMGATICWG DDYISCTRGE DATA SEQUENCE LNAIDMDMNH IPDAAMTIAT AALFAKGTTT LRNIYNWRVK ETDRLFAMAT DATA SEQUENCE ELRKVGAEVE EGHDYIRITP PEKLNFAEIA TYNDHRMAMC FSLVALSDTP DATA SEQUENCE VTILDPKCTA KTFPDYFEQL ARISQAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.288 176.300 -0.021 0.000 1.140 1 M CA 0.000 55.287 55.300 -0.021 0.000 0.988 1 M CB 0.000 32.583 32.600 -0.029 0.000 1.302 2 E N 1.731 121.920 120.200 -0.019 0.000 2.408 2 E HA 0.679 5.028 4.350 -0.001 0.000 0.259 2 E C -0.456 176.125 176.600 -0.031 0.000 1.110 2 E CA 0.239 56.626 56.400 -0.022 0.000 0.929 2 E CB 0.895 30.586 29.700 -0.016 0.000 0.971 2 E HN 0.736 nan 8.360 nan 0.000 0.438 3 S N 1.512 117.187 115.700 -0.042 0.000 2.588 3 S HA 0.605 5.074 4.470 -0.001 0.000 0.269 3 S C -1.349 173.197 174.600 -0.089 0.000 1.157 3 S CA -1.087 57.079 58.200 -0.057 0.000 0.824 3 S CB 1.108 64.289 63.200 -0.032 0.000 1.126 3 S HN 0.454 nan 8.310 nan 0.000 0.464 4 L N 0.957 122.101 121.223 -0.133 0.000 2.431 4 L HA 0.787 5.127 4.340 -0.001 0.000 0.266 4 L C -1.460 175.330 176.870 -0.133 0.000 0.978 4 L CA -0.233 54.492 54.840 -0.192 0.000 0.822 4 L CB 2.233 44.045 42.059 -0.412 0.000 1.310 4 L HN 0.880 nan 8.230 nan 0.000 0.409 5 T N 5.648 120.157 114.554 -0.074 0.000 2.779 5 T HA 0.512 4.862 4.350 -0.001 0.000 0.280 5 T C -0.322 174.375 174.700 -0.005 0.000 0.987 5 T CA -0.290 61.814 62.100 0.006 0.000 0.966 5 T CB 1.100 70.001 68.868 0.055 0.000 0.933 5 T HN 0.404 nan 8.240 nan 0.000 0.442 6 L N 3.850 125.093 121.223 0.034 0.000 2.272 6 L HA 0.389 4.729 4.340 -0.001 0.000 0.289 6 L C 0.777 177.694 176.870 0.080 0.000 1.032 6 L CA -0.805 54.065 54.840 0.051 0.000 0.810 6 L CB 1.092 43.206 42.059 0.091 0.000 1.205 6 L HN 0.489 nan 8.230 nan 0.000 0.422 7 Q N 3.590 123.425 119.800 0.059 0.000 2.368 7 Q HA 0.267 4.607 4.340 -0.001 0.000 0.237 7 Q C -2.181 173.861 176.000 0.070 0.000 0.987 7 Q CA -1.865 53.974 55.803 0.061 0.000 0.896 7 Q CB 0.413 29.173 28.738 0.037 0.000 1.241 7 Q HN 0.329 nan 8.270 nan 0.000 0.485 8 P HA -0.039 nan 4.420 nan 0.000 0.264 8 P C -0.874 176.458 177.300 0.053 0.000 1.183 8 P CA 0.775 63.919 63.100 0.073 0.000 0.763 8 P CB 0.338 32.080 31.700 0.070 0.000 0.807 9 I N 2.223 122.822 120.570 0.048 0.000 2.328 9 I HA 0.240 4.410 4.170 -0.001 0.000 0.287 9 I C 1.253 177.379 176.117 0.014 0.000 1.012 9 I CA -0.382 60.935 61.300 0.028 0.000 1.195 9 I CB 1.590 39.605 38.000 0.026 0.000 1.350 9 I HN 0.368 nan 8.210 nan 0.000 0.464 10 A N 6.588 129.415 122.820 0.011 0.000 1.969 10 A HA 0.045 4.364 4.320 -0.001 0.000 0.218 10 A C 1.155 178.735 177.584 -0.007 0.000 1.169 10 A CA 1.164 53.204 52.037 0.006 0.000 0.635 10 A CB 0.097 19.101 19.000 0.007 0.000 0.810 10 A HN 0.754 nan 8.150 nan 0.000 0.445 11 R N -1.570 118.924 120.500 -0.010 0.000 2.687 11 R HA 0.443 4.783 4.340 -0.001 0.000 0.265 11 R C -2.059 174.232 176.300 -0.014 0.000 1.048 11 R CA -0.138 55.952 56.100 -0.017 0.000 0.884 11 R CB 1.592 31.884 30.300 -0.014 0.000 1.258 11 R HN 0.327 nan 8.270 nan 0.000 0.469 12 V N -0.455 119.450 119.914 -0.016 0.000 2.680 12 V HA 0.839 4.959 4.120 -0.001 0.000 0.309 12 V C -1.017 175.070 176.094 -0.011 0.000 1.052 12 V CA -0.506 61.790 62.300 -0.006 0.000 0.908 12 V CB 1.809 33.640 31.823 0.013 0.000 1.001 12 V HN 0.936 nan 8.190 nan 0.000 0.431 13 D N 1.261 121.650 120.400 -0.017 0.000 2.787 13 D HA 0.691 5.331 4.640 -0.001 0.000 0.215 13 D C -0.249 176.027 176.300 -0.041 0.000 1.246 13 D CA 0.887 54.871 54.000 -0.027 0.000 0.798 13 D CB 1.804 42.588 40.800 -0.027 0.000 1.649 13 D HN 1.429 nan 8.370 nan 0.000 0.507 14 G N 0.730 109.499 108.800 -0.052 0.000 2.339 14 G HA2 0.373 4.333 3.960 -0.001 0.000 0.275 14 G HA3 0.373 4.333 3.960 -0.001 0.000 0.275 14 G C -1.386 173.463 174.900 -0.086 0.000 1.323 14 G CA -0.394 44.664 45.100 -0.070 0.000 0.927 14 G HN 0.537 nan 8.290 nan 0.000 0.486 15 T N 0.729 115.222 114.554 -0.101 0.000 2.886 15 T HA 0.654 5.003 4.350 -0.001 0.000 0.292 15 T C -0.697 173.920 174.700 -0.138 0.000 1.012 15 T CA -0.449 61.586 62.100 -0.109 0.000 0.982 15 T CB 1.517 70.326 68.868 -0.099 0.000 1.018 15 T HN 0.552 nan 8.240 nan 0.000 0.451 16 I N 3.415 123.894 120.570 -0.153 0.000 2.436 16 I HA 0.351 4.521 4.170 -0.001 0.000 0.289 16 I C -0.456 175.599 176.117 -0.104 0.000 1.010 16 I CA -0.955 60.222 61.300 -0.205 0.000 1.098 16 I CB 1.864 39.608 38.000 -0.426 0.000 1.266 16 I HN 0.550 nan 8.210 nan 0.000 0.434 17 N N 7.264 125.917 118.700 -0.078 0.000 2.437 17 N HA 0.350 5.090 4.740 -0.001 0.000 0.243 17 N C -0.190 175.300 175.510 -0.032 0.000 1.041 17 N CA -0.383 52.644 53.050 -0.038 0.000 0.940 17 N CB 1.369 39.837 38.487 -0.031 0.000 1.133 17 N HN 0.449 nan 8.380 nan 0.000 0.506 18 L N 3.629 124.841 121.223 -0.019 0.000 2.483 18 L HA 0.183 4.523 4.340 -0.001 0.000 0.276 18 L C -1.406 175.408 176.870 -0.093 0.000 1.213 18 L CA -1.156 53.662 54.840 -0.037 0.000 0.843 18 L CB -0.071 41.983 42.059 -0.009 0.000 1.107 18 L HN 0.261 nan 8.230 nan 0.000 0.487 19 P HA 0.113 nan 4.420 nan 0.000 0.276 19 P C -0.181 177.029 177.300 -0.150 0.000 1.252 19 P CA -0.439 62.539 63.100 -0.203 0.000 0.802 19 P CB 0.548 32.010 31.700 -0.398 0.000 1.035 20 G N 0.345 109.088 108.800 -0.095 0.000 2.554 20 G HA2 0.170 4.129 3.960 -0.001 0.000 0.238 20 G HA3 0.170 4.129 3.960 -0.001 0.000 0.238 20 G C 0.097 174.965 174.900 -0.054 0.000 1.259 20 G CA -0.243 44.823 45.100 -0.057 0.000 0.843 20 G HN 0.540 nan 8.290 nan 0.000 0.582 21 S N 0.095 115.784 115.700 -0.019 0.000 2.533 21 S HA 0.061 4.530 4.470 -0.001 0.000 0.282 21 S C 1.572 176.180 174.600 0.014 0.000 1.304 21 S CA -0.338 57.864 58.200 0.004 0.000 1.063 21 S CB 0.947 64.167 63.200 0.033 0.000 0.881 21 S HN 0.672 nan 8.310 nan 0.000 0.493 22 K N 3.520 123.929 120.400 0.016 0.000 2.057 22 K HA -0.056 4.264 4.320 -0.001 0.000 0.206 22 K C 1.924 178.539 176.600 0.025 0.000 1.050 22 K CA 1.621 57.915 56.287 0.013 0.000 0.935 22 K CB -0.633 31.877 32.500 0.016 0.000 0.715 22 K HN 0.676 nan 8.250 nan 0.000 0.439 23 S N 0.761 116.497 115.700 0.061 0.000 2.356 23 S HA -0.107 4.362 4.470 -0.001 0.000 0.223 23 S C 2.051 176.691 174.600 0.066 0.000 1.032 23 S CA 1.421 59.670 58.200 0.082 0.000 1.005 23 S CB -0.187 63.126 63.200 0.189 0.000 0.867 23 S HN 0.125 nan 8.310 nan 0.000 0.449 24 V N 1.450 121.412 119.914 0.080 0.000 2.379 24 V HA -0.112 4.007 4.120 -0.001 0.000 0.245 24 V C 2.425 178.564 176.094 0.075 0.000 1.044 24 V CA 1.669 64.029 62.300 0.100 0.000 1.036 24 V CB -0.929 30.980 31.823 0.144 0.000 0.664 24 V HN 0.399 nan 8.190 nan 0.000 0.453 25 S N 0.793 116.524 115.700 0.051 0.000 2.359 25 S HA -0.223 4.247 4.470 -0.001 0.000 0.224 25 S C 1.910 176.495 174.600 -0.025 0.000 1.035 25 S CA 1.898 60.112 58.200 0.023 0.000 1.018 25 S CB -0.468 62.733 63.200 0.001 0.000 0.876 25 S HN 0.589 nan 8.310 nan 0.000 0.448 26 N N 0.754 119.433 118.700 -0.036 0.000 2.270 26 N HA 0.060 4.800 4.740 -0.001 0.000 0.181 26 N C 1.754 177.201 175.510 -0.105 0.000 1.016 26 N CA 0.689 53.699 53.050 -0.068 0.000 0.870 26 N CB -0.170 38.284 38.487 -0.055 0.000 0.979 26 N HN 0.331 nan 8.380 nan 0.000 0.431 27 R N 0.288 120.732 120.500 -0.094 0.000 2.075 27 R HA 0.075 4.415 4.340 -0.001 0.000 0.232 27 R C 2.103 178.243 176.300 -0.266 0.000 1.126 27 R CA 1.247 57.254 56.100 -0.156 0.000 0.963 27 R CB -0.273 29.968 30.300 -0.098 0.000 0.858 27 R HN 0.155 nan 8.270 nan 0.000 0.435 28 A N 1.110 123.821 122.820 -0.181 0.000 1.902 28 A HA -0.131 4.188 4.320 -0.001 0.000 0.217 28 A C 2.149 179.567 177.584 -0.276 0.000 1.181 28 A CA 1.152 53.057 52.037 -0.220 0.000 0.623 28 A CB -0.517 18.496 19.000 0.021 0.000 0.818 28 A HN 0.177 nan 8.150 nan 0.000 0.443 29 L N -1.189 119.923 121.223 -0.185 0.000 2.017 29 L HA -0.164 4.175 4.340 -0.001 0.000 0.208 29 L C 2.560 179.287 176.870 -0.237 0.000 1.073 29 L CA 1.194 55.923 54.840 -0.185 0.000 0.745 29 L CB -0.466 41.496 42.059 -0.163 0.000 0.894 29 L HN 0.472 nan 8.230 nan 0.000 0.432 30 L N -0.259 120.806 121.223 -0.263 0.000 2.056 30 L HA -0.182 4.157 4.340 -0.001 0.000 0.207 30 L C 2.274 178.899 176.870 -0.409 0.000 1.078 30 L CA 1.707 56.385 54.840 -0.271 0.000 0.749 30 L CB -0.424 41.494 42.059 -0.235 0.000 0.901 30 L HN 0.101 nan 8.230 nan 0.000 0.433 31 L N -0.654 120.166 121.223 -0.671 0.000 2.093 31 L HA -0.152 4.187 4.340 -0.001 0.000 0.208 31 L C 2.654 178.997 176.870 -0.879 0.000 1.085 31 L CA 1.103 55.296 54.840 -1.079 0.000 0.755 31 L CB -0.955 40.031 42.059 -1.787 0.000 0.904 31 L HN 0.371 nan 8.230 nan 0.000 0.435 32 A N 0.069 122.477 122.820 -0.687 0.000 1.933 32 A HA -0.139 4.181 4.320 -0.001 0.000 0.218 32 A C 2.507 180.046 177.584 -0.075 0.000 1.175 32 A CA 1.663 53.619 52.037 -0.136 0.000 0.628 32 A CB -0.561 18.452 19.000 0.021 0.000 0.814 32 A HN 0.403 nan 8.150 nan 0.000 0.444 33 A N -0.525 122.214 122.820 -0.135 0.000 1.968 33 A HA 0.093 4.412 4.320 -0.001 0.000 0.217 33 A C 2.073 179.616 177.584 -0.070 0.000 1.169 33 A CA 1.285 53.280 52.037 -0.071 0.000 0.638 33 A CB -0.431 18.524 19.000 -0.075 0.000 0.812 33 A HN 0.456 nan 8.150 nan 0.000 0.446 34 L N -0.755 120.406 121.223 -0.103 0.000 2.240 34 L HA 0.109 4.448 4.340 -0.001 0.000 0.211 34 L C 1.721 178.615 176.870 0.041 0.000 1.106 34 L CA 0.166 54.988 54.840 -0.031 0.000 0.793 34 L CB -0.490 41.570 42.059 0.003 0.000 0.927 34 L HN 0.396 nan 8.230 nan 0.000 0.446 35 A N -0.830 122.032 122.820 0.070 0.000 2.327 35 A HA 0.228 4.547 4.320 -0.001 0.000 0.255 35 A C -0.693 176.944 177.584 0.088 0.000 1.099 35 A CA -0.158 52.007 52.037 0.212 0.000 0.801 35 A CB -0.072 19.130 19.000 0.336 0.000 1.062 35 A HN 0.250 nan 8.150 nan 0.000 0.496 36 H N -0.841 118.314 119.070 0.141 0.000 2.473 36 H HA 0.563 5.119 4.556 -0.001 0.000 0.327 36 H C 0.790 176.175 175.328 0.094 0.000 1.105 36 H CA 0.919 57.026 56.048 0.098 0.000 1.280 36 H CB 1.140 30.950 29.762 0.080 0.000 1.450 36 H HN 1.377 nan 8.280 nan 0.000 0.492 37 G N 1.581 110.481 108.800 0.166 0.000 2.603 37 G HA2 -0.154 3.806 3.960 -0.001 0.000 0.686 37 G HA3 -0.154 3.806 3.960 -0.001 0.000 0.686 37 G C -1.019 173.940 174.900 0.099 0.000 1.286 37 G CA -0.882 44.291 45.100 0.121 0.000 0.871 37 G HN 0.710 nan 8.290 nan 0.000 0.568 38 K N 0.056 120.505 120.400 0.082 0.000 2.211 38 K HA 0.661 4.980 4.320 -0.001 0.000 0.275 38 K C -0.257 176.392 176.600 0.082 0.000 1.024 38 K CA -0.335 56.000 56.287 0.079 0.000 0.887 38 K CB 0.873 33.412 32.500 0.065 0.000 1.084 38 K HN 0.544 nan 8.250 nan 0.000 0.463 39 T N 2.926 117.540 114.554 0.100 0.000 2.794 39 T HA 0.299 4.648 4.350 -0.001 0.000 0.280 39 T C -0.891 173.867 174.700 0.097 0.000 0.987 39 T CA -0.622 61.541 62.100 0.105 0.000 0.993 39 T CB 1.414 70.390 68.868 0.180 0.000 0.939 39 T HN 0.291 nan 8.240 nan 0.000 0.449 40 V N 5.239 125.205 119.914 0.088 0.000 2.334 40 V HA 0.388 4.508 4.120 -0.001 0.000 0.281 40 V C -0.213 175.945 176.094 0.106 0.000 1.016 40 V CA -0.712 61.638 62.300 0.083 0.000 0.832 40 V CB 0.833 32.693 31.823 0.062 0.000 0.999 40 V HN 0.712 nan 8.190 nan 0.000 0.439 41 L N 5.476 126.764 121.223 0.108 0.000 2.289 41 L HA 0.671 5.011 4.340 -0.001 0.000 0.285 41 L C 0.539 177.455 176.870 0.077 0.000 1.049 41 L CA -0.171 54.751 54.840 0.136 0.000 0.804 41 L CB 1.871 44.011 42.059 0.136 0.000 1.195 41 L HN 0.740 nan 8.230 nan 0.000 0.428 42 T N -1.278 113.310 114.554 0.056 0.000 2.924 42 T HA 0.296 4.645 4.350 -0.001 0.000 0.291 42 T C 0.418 175.118 174.700 -0.000 0.000 1.045 42 T CA -0.739 61.372 62.100 0.018 0.000 1.015 42 T CB 1.757 70.625 68.868 0.001 0.000 1.103 42 T HN 0.779 nan 8.240 nan 0.000 0.496 43 N N -0.450 118.247 118.700 -0.006 0.000 2.741 43 N HA -0.163 4.577 4.740 -0.001 0.000 0.250 43 N C -0.381 175.124 175.510 -0.008 0.000 1.115 43 N CA 0.005 53.045 53.050 -0.015 0.000 0.724 43 N CB -0.837 37.631 38.487 -0.033 0.000 1.090 43 N HN 0.708 nan 8.380 nan 0.000 0.558 44 L N 1.616 122.841 121.223 0.005 0.000 2.485 44 L HA 0.233 4.573 4.340 -0.001 0.000 0.275 44 L C 0.299 177.161 176.870 -0.013 0.000 1.207 44 L CA 0.108 54.951 54.840 0.004 0.000 0.855 44 L CB 0.503 42.563 42.059 0.000 0.000 1.114 44 L HN 0.215 nan 8.230 nan 0.000 0.485 45 L N 4.266 125.477 121.223 -0.020 0.000 2.380 45 L HA 0.286 4.626 4.340 -0.001 0.000 0.273 45 L C -0.647 176.207 176.870 -0.026 0.000 1.138 45 L CA 0.221 55.042 54.840 -0.031 0.000 0.832 45 L CB 0.665 42.701 42.059 -0.038 0.000 1.124 45 L HN 0.734 nan 8.230 nan 0.000 0.454 46 D N 3.375 123.765 120.400 -0.016 0.000 2.427 46 D HA 0.558 5.197 4.640 -0.001 0.000 0.226 46 D C -0.943 175.357 176.300 -0.000 0.000 1.076 46 D CA 0.111 54.105 54.000 -0.009 0.000 0.849 46 D CB 0.769 41.573 40.800 0.007 0.000 1.052 46 D HN 0.716 nan 8.370 nan 0.000 0.515 47 S N 2.183 117.871 115.700 -0.021 0.000 2.643 47 S HA 0.320 4.790 4.470 -0.001 0.000 0.270 47 S C 0.356 174.914 174.600 -0.070 0.000 1.166 47 S CA -0.794 57.396 58.200 -0.017 0.000 0.815 47 S CB 1.184 64.380 63.200 -0.005 0.000 1.139 47 S HN 0.108 nan 8.310 nan 0.000 0.472 48 D N 1.121 121.473 120.400 -0.081 0.000 2.104 48 D HA -0.084 4.556 4.640 -0.001 0.000 0.194 48 D C 1.073 177.256 176.300 -0.195 0.000 0.994 48 D CA 1.705 55.602 54.000 -0.173 0.000 0.830 48 D CB -0.470 40.292 40.800 -0.064 0.000 0.959 48 D HN 0.607 nan 8.370 nan 0.000 0.452 49 D N -0.051 120.313 120.400 -0.060 0.000 2.144 49 D HA -0.095 4.544 4.640 -0.001 0.000 0.199 49 D C 2.231 178.518 176.300 -0.021 0.000 0.984 49 D CA 0.402 54.405 54.000 0.005 0.000 0.834 49 D CB -0.133 40.648 40.800 -0.032 0.000 0.955 49 D HN 0.092 nan 8.370 nan 0.000 0.465 50 V N 0.421 120.299 119.914 -0.059 0.000 2.407 50 V HA -0.131 3.989 4.120 -0.001 0.000 0.245 50 V C 2.465 178.510 176.094 -0.083 0.000 1.041 50 V CA 1.209 63.471 62.300 -0.063 0.000 1.040 50 V CB -0.387 31.399 31.823 -0.061 0.000 0.671 50 V HN 0.103 nan 8.190 nan 0.000 0.455 51 R N -0.671 119.752 120.500 -0.128 0.000 2.105 51 R HA -0.198 4.141 4.340 -0.001 0.000 0.239 51 R C 2.377 178.605 176.300 -0.121 0.000 1.135 51 R CA 1.669 57.684 56.100 -0.142 0.000 0.967 51 R CB -0.279 29.903 30.300 -0.196 0.000 0.861 51 R HN 0.568 nan 8.270 nan 0.000 0.442 52 H N -0.133 118.948 119.070 0.018 0.000 2.389 52 H HA -0.119 4.436 4.556 -0.001 0.000 0.299 52 H C 1.916 177.249 175.328 0.008 0.000 1.081 52 H CA 1.775 57.842 56.048 0.032 0.000 1.345 52 H CB -0.223 29.544 29.762 0.008 0.000 1.393 52 H HN 0.244 nan 8.280 nan 0.000 0.520 53 M N 0.664 120.311 119.600 0.077 0.000 2.132 53 M HA -0.067 4.412 4.480 -0.001 0.000 0.263 53 M C 2.056 178.352 176.300 -0.007 0.000 1.065 53 M CA 1.285 56.592 55.300 0.012 0.000 1.122 53 M CB -0.621 31.956 32.600 -0.039 0.000 1.365 53 M HN 0.111 nan 8.290 nan 0.000 0.411 54 L N -0.081 121.118 121.223 -0.040 0.000 2.046 54 L HA -0.249 4.091 4.340 -0.001 0.000 0.208 54 L C 2.059 179.007 176.870 0.131 0.000 1.077 54 L CA 1.844 56.645 54.840 -0.064 0.000 0.747 54 L CB -0.981 41.006 42.059 -0.121 0.000 0.896 54 L HN 0.473 nan 8.230 nan 0.000 0.432 55 N N -0.389 118.386 118.700 0.125 0.000 2.166 55 N HA -0.164 4.576 4.740 -0.001 0.000 0.186 55 N C 1.905 177.496 175.510 0.136 0.000 1.019 55 N CA 0.914 54.055 53.050 0.151 0.000 0.856 55 N CB -0.134 38.449 38.487 0.160 0.000 0.993 55 N HN 0.333 nan 8.380 nan 0.000 0.426 56 A N 1.312 124.200 122.820 0.113 0.000 1.898 56 A HA -0.061 4.258 4.320 -0.001 0.000 0.216 56 A C 2.139 179.768 177.584 0.076 0.000 1.181 56 A CA 0.900 52.986 52.037 0.081 0.000 0.620 56 A CB -0.609 18.420 19.000 0.049 0.000 0.819 56 A HN 0.150 nan 8.150 nan 0.000 0.442 57 L N -0.813 120.464 121.223 0.090 0.000 2.046 57 L HA -0.161 4.178 4.340 -0.001 0.000 0.208 57 L C 2.788 179.752 176.870 0.157 0.000 1.077 57 L CA 1.756 56.663 54.840 0.112 0.000 0.747 57 L CB -1.103 41.028 42.059 0.120 0.000 0.896 57 L HN 0.325 nan 8.230 nan 0.000 0.432 58 T N 0.128 114.813 114.554 0.218 0.000 2.684 58 T HA -0.219 4.130 4.350 -0.001 0.000 0.267 58 T C 1.989 176.724 174.700 0.059 0.000 1.036 58 T CA 1.524 63.691 62.100 0.112 0.000 1.148 58 T CB -0.255 68.669 68.868 0.093 0.000 0.863 58 T HN 0.466 nan 8.240 nan 0.000 0.436 59 A N 0.881 123.743 122.820 0.069 0.000 1.972 59 A HA 0.079 4.399 4.320 -0.001 0.000 0.219 59 A C 2.078 179.687 177.584 0.041 0.000 1.169 59 A CA 1.053 53.120 52.037 0.050 0.000 0.635 59 A CB -0.669 18.367 19.000 0.059 0.000 0.810 59 A HN 0.513 nan 8.150 nan 0.000 0.446 60 L N -1.213 120.036 121.223 0.043 0.000 2.599 60 L HA 0.189 4.528 4.340 -0.001 0.000 0.230 60 L C 1.604 178.494 176.870 0.033 0.000 1.141 60 L CA 0.537 55.396 54.840 0.033 0.000 0.877 60 L CB -0.118 41.952 42.059 0.018 0.000 1.009 60 L HN 0.585 nan 8.230 nan 0.000 0.447 61 G N -0.326 108.493 108.800 0.031 0.000 2.157 61 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.239 61 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.239 61 G C 0.199 175.112 174.900 0.022 0.000 0.982 61 G CA -0.054 45.058 45.100 0.021 0.000 0.650 61 G HN 0.083 nan 8.290 nan 0.000 0.527 62 V N 1.089 121.031 119.914 0.045 0.000 2.614 62 V HA 0.599 4.719 4.120 -0.001 0.000 0.291 62 V C 0.999 177.125 176.094 0.053 0.000 1.049 62 V CA 0.516 62.858 62.300 0.070 0.000 1.038 62 V CB 1.656 33.549 31.823 0.117 0.000 0.980 62 V HN 0.543 nan 8.190 nan 0.000 0.481 63 S N 4.703 120.425 115.700 0.035 0.000 2.480 63 S HA 0.761 5.230 4.470 -0.001 0.000 0.286 63 S C -0.969 173.662 174.600 0.052 0.000 1.180 63 S CA -0.461 57.714 58.200 -0.041 0.000 1.075 63 S CB 0.414 63.599 63.200 -0.026 0.000 0.996 63 S HN 0.758 nan 8.310 nan 0.000 0.487 64 Y N 0.155 120.461 120.300 0.011 0.000 2.677 64 Y HA 0.720 5.270 4.550 -0.001 0.000 0.334 64 Y C -0.770 175.138 175.900 0.014 0.000 1.196 64 Y CA -1.010 57.099 58.100 0.014 0.000 1.059 64 Y CB 0.718 39.185 38.460 0.013 0.000 1.315 64 Y HN 0.595 nan 8.280 nan 0.000 0.455 65 T N 0.341 115.062 114.554 0.278 0.000 2.906 65 T HA 0.823 5.172 4.350 -0.001 0.000 0.295 65 T C -1.385 173.454 174.700 0.230 0.000 1.061 65 T CA -0.775 61.432 62.100 0.179 0.000 1.000 65 T CB 1.785 70.703 68.868 0.083 0.000 1.103 65 T HN 0.852 nan 8.240 nan 0.000 0.486 66 L N 2.314 123.643 121.223 0.176 0.000 2.354 66 L HA 0.635 4.974 4.340 -0.001 0.000 0.269 66 L C 0.840 177.756 176.870 0.076 0.000 1.005 66 L CA -1.066 53.849 54.840 0.126 0.000 0.819 66 L CB 2.481 44.620 42.059 0.134 0.000 1.311 66 L HN 1.048 nan 8.230 nan 0.000 0.423 67 S N 1.097 116.831 115.700 0.056 0.000 2.617 67 S HA 0.309 4.779 4.470 -0.001 0.000 0.259 67 S C 1.199 175.821 174.600 0.036 0.000 1.301 67 S CA 0.012 58.236 58.200 0.040 0.000 0.984 67 S CB 1.267 64.487 63.200 0.032 0.000 0.954 67 S HN 0.720 nan 8.310 nan 0.000 0.572 68 A N 0.988 123.825 122.820 0.029 0.000 1.940 68 A HA -0.123 4.197 4.320 -0.001 0.000 0.219 68 A C 1.659 179.258 177.584 0.025 0.000 1.176 68 A CA 1.800 53.853 52.037 0.026 0.000 0.631 68 A CB -1.164 17.848 19.000 0.021 0.000 0.814 68 A HN 0.971 nan 8.150 nan 0.000 0.446 69 D N -2.066 118.348 120.400 0.023 0.000 2.328 69 D HA 0.035 4.675 4.640 -0.001 0.000 0.221 69 D C 0.690 177.003 176.300 0.022 0.000 1.072 69 D CA 0.014 54.028 54.000 0.022 0.000 0.850 69 D CB -0.519 40.292 40.800 0.019 0.000 0.922 69 D HN 0.456 nan 8.370 nan 0.000 0.516 70 R N -1.273 119.242 120.500 0.025 0.000 3.875 70 R HA -0.172 4.167 4.340 -0.001 0.000 0.321 70 R C 0.736 177.043 176.300 0.011 0.000 1.196 70 R CA 1.341 57.455 56.100 0.023 0.000 0.868 70 R CB -3.015 27.297 30.300 0.020 0.000 1.333 70 R HN 0.517 nan 8.270 nan 0.000 0.522 71 T N -3.185 111.376 114.554 0.013 0.000 3.040 71 T HA 0.137 4.487 4.350 -0.001 0.000 0.250 71 T C 0.627 175.334 174.700 0.012 0.000 1.058 71 T CA -0.166 61.938 62.100 0.006 0.000 0.988 71 T CB 0.377 69.247 68.868 0.003 0.000 0.993 71 T HN 0.294 nan 8.240 nan 0.000 0.519 72 R N 0.073 120.585 120.500 0.020 0.000 2.480 72 R HA 0.642 4.981 4.340 -0.001 0.000 0.306 72 R C -1.822 174.500 176.300 0.037 0.000 0.958 72 R CA -0.697 55.419 56.100 0.028 0.000 0.861 72 R CB 1.417 31.735 30.300 0.029 0.000 1.171 72 R HN 0.307 nan 8.270 nan 0.000 0.445 73 C N 4.003 123.326 119.300 0.038 0.000 2.431 73 C HA 0.407 4.867 4.460 -0.001 0.000 0.321 73 C C -0.622 174.408 174.990 0.066 0.000 1.202 73 C CA -0.519 58.524 59.018 0.042 0.000 1.398 73 C CB 1.314 29.036 27.740 -0.030 0.000 2.047 73 C HN 0.993 nan 8.230 nan 0.000 0.465 74 E N 4.880 125.140 120.200 0.099 0.000 2.055 74 E HA 0.574 4.924 4.350 -0.001 0.000 0.274 74 E C -1.034 175.647 176.600 0.135 0.000 0.949 74 E CA -0.385 56.075 56.400 0.100 0.000 0.775 74 E CB 0.503 30.255 29.700 0.086 0.000 1.097 74 E HN 0.658 nan 8.360 nan 0.000 0.404 75 I N 5.162 125.802 120.570 0.117 0.000 2.359 75 I HA 0.204 4.374 4.170 -0.001 0.000 0.294 75 I C -0.230 175.953 176.117 0.111 0.000 0.987 75 I CA -0.606 60.775 61.300 0.135 0.000 1.225 75 I CB 1.251 39.302 38.000 0.085 0.000 1.366 75 I HN 0.500 nan 8.210 nan 0.000 0.466 76 I N 5.661 126.296 120.570 0.109 0.000 2.308 76 I HA 0.232 4.401 4.170 -0.001 0.000 0.293 76 I C 1.091 177.243 176.117 0.059 0.000 1.078 76 I CA -0.065 61.279 61.300 0.075 0.000 1.292 76 I CB 0.095 38.129 38.000 0.057 0.000 1.423 76 I HN 0.682 nan 8.210 nan 0.000 0.493 77 G N 4.452 113.284 108.800 0.054 0.000 2.414 77 G HA2 -0.118 3.842 3.960 -0.001 0.000 0.236 77 G HA3 -0.118 3.842 3.960 -0.001 0.000 0.236 77 G C 0.794 175.679 174.900 -0.025 0.000 1.293 77 G CA -0.164 44.950 45.100 0.023 0.000 0.869 77 G HN 0.727 nan 8.290 nan 0.000 0.556 78 N N 0.611 119.280 118.700 -0.052 0.000 2.494 78 N HA 0.069 4.809 4.740 -0.001 0.000 0.182 78 N C 1.764 177.175 175.510 -0.166 0.000 1.076 78 N CA 1.311 54.321 53.050 -0.068 0.000 0.908 78 N CB -0.069 38.393 38.487 -0.043 0.000 0.967 78 N HN 1.070 nan 8.380 nan 0.000 0.449 79 G N -1.016 107.577 108.800 -0.345 0.000 2.314 79 G HA2 0.078 4.037 3.960 -0.001 0.000 0.292 79 G HA3 0.078 4.037 3.960 -0.001 0.000 0.292 79 G C 0.332 174.938 174.900 -0.490 0.000 1.059 79 G CA 0.593 45.118 45.100 -0.958 0.000 0.982 79 G HN 0.870 nan 8.290 nan 0.000 0.505 80 G N -1.622 107.066 108.800 -0.186 0.000 2.369 80 G HA2 0.479 4.439 3.960 -0.001 0.000 0.307 80 G HA3 0.479 4.439 3.960 -0.001 0.000 0.307 80 G C -2.964 171.933 174.900 -0.005 0.000 1.327 80 G CA -0.160 44.937 45.100 -0.005 0.000 0.963 80 G HN 0.495 nan 8.290 nan 0.000 0.590 81 P HA 0.264 nan 4.420 nan 0.000 0.264 81 P C 0.253 177.382 177.300 -0.285 0.000 1.179 81 P CA 0.055 63.081 63.100 -0.124 0.000 0.763 81 P CB 0.342 31.986 31.700 -0.094 0.000 0.806 82 L N 3.910 124.934 121.223 -0.330 0.000 2.399 82 L HA 0.361 4.700 4.340 -0.001 0.000 0.266 82 L C 0.738 177.293 176.870 -0.525 0.000 1.114 82 L CA -0.237 54.438 54.840 -0.277 0.000 0.804 82 L CB 0.341 42.314 42.059 -0.144 0.000 1.146 82 L HN 0.471 nan 8.230 nan 0.000 0.451 83 H N 1.166 120.240 119.070 0.007 0.000 2.851 83 H HA 0.793 5.349 4.556 -0.001 0.000 0.372 83 H C -1.011 174.323 175.328 0.009 0.000 1.158 83 H CA -0.718 55.335 56.048 0.009 0.000 1.159 83 H CB 2.262 32.029 29.762 0.010 0.000 1.757 83 H HN 0.711 nan 8.280 nan 0.000 0.546 84 A N 2.042 124.948 122.820 0.143 0.000 2.605 84 A HA 0.586 4.906 4.320 -0.001 0.000 0.294 84 A C -1.104 176.523 177.584 0.071 0.000 1.062 84 A CA -0.743 51.344 52.037 0.083 0.000 0.682 84 A CB 2.023 21.054 19.000 0.052 0.000 1.278 84 A HN 0.604 nan 8.150 nan 0.000 0.410 85 E N -0.583 119.646 120.200 0.048 0.000 2.449 85 E HA 0.723 5.073 4.350 -0.001 0.000 0.254 85 E C 0.572 177.189 176.600 0.027 0.000 0.907 85 E CA -0.058 56.363 56.400 0.036 0.000 0.840 85 E CB 0.765 30.481 29.700 0.026 0.000 1.459 85 E HN 2.125 nan 8.360 nan 0.000 0.407 86 G N 0.117 108.930 108.800 0.021 0.000 2.221 86 G HA2 -0.023 3.937 3.960 -0.001 0.000 0.265 86 G HA3 -0.023 3.937 3.960 -0.001 0.000 0.265 86 G C 0.645 175.556 174.900 0.020 0.000 1.041 86 G CA 0.544 45.655 45.100 0.018 0.000 0.807 86 G HN 1.535 nan 8.290 nan 0.000 0.502 87 A N -2.473 120.360 122.820 0.021 0.000 2.745 87 A HA -0.051 4.268 4.320 -0.001 0.000 0.296 87 A C 1.015 178.613 177.584 0.025 0.000 1.500 87 A CA 1.547 53.596 52.037 0.021 0.000 0.766 87 A CB -1.548 17.464 19.000 0.019 0.000 1.030 87 A HN 2.282 nan 8.150 nan 0.000 0.489 88 L N 0.342 121.581 121.223 0.027 0.000 2.601 88 L HA 0.261 4.600 4.340 -0.001 0.000 0.277 88 L C 0.650 177.541 176.870 0.035 0.000 1.219 88 L CA 1.286 56.145 54.840 0.031 0.000 0.915 88 L CB 0.327 42.406 42.059 0.032 0.000 1.160 88 L HN 0.486 nan 8.230 nan 0.000 0.494 89 E N 5.570 125.796 120.200 0.044 0.000 2.174 89 E HA 0.354 4.703 4.350 -0.001 0.000 0.282 89 E C -1.392 175.254 176.600 0.077 0.000 0.992 89 E CA -0.612 55.823 56.400 0.058 0.000 0.803 89 E CB 0.705 30.446 29.700 0.069 0.000 1.090 89 E HN 0.677 nan 8.360 nan 0.000 0.396 90 L N 5.593 126.859 121.223 0.071 0.000 2.287 90 L HA 0.389 4.729 4.340 -0.001 0.000 0.287 90 L C -0.457 176.474 176.870 0.103 0.000 1.022 90 L CA -0.886 54.003 54.840 0.083 0.000 0.814 90 L CB 0.816 42.898 42.059 0.038 0.000 1.217 90 L HN 0.561 nan 8.230 nan 0.000 0.420 91 F N 4.699 124.639 119.950 -0.016 0.000 2.404 91 F HA 0.373 4.899 4.527 -0.001 0.000 0.358 91 F C 0.328 176.045 175.800 -0.139 0.000 1.120 91 F CA -0.334 57.628 58.000 -0.063 0.000 1.144 91 F CB 0.750 39.724 39.000 -0.043 0.000 1.133 91 F HN 0.338 nan 8.300 nan 0.000 0.495 92 L N 6.766 127.582 121.223 -0.678 0.000 2.965 92 L HA 0.320 4.659 4.340 -0.001 0.000 0.254 92 L C 1.378 177.711 176.870 -0.895 0.000 1.220 92 L CA 0.121 54.619 54.840 -0.569 0.000 1.023 92 L CB -0.609 41.279 42.059 -0.286 0.000 1.355 92 L HN 1.008 nan 8.230 nan 0.000 0.545 93 G N 1.851 109.768 108.800 -1.471 0.000 2.660 93 G HA2 -0.444 3.515 3.960 -0.001 0.000 0.321 93 G HA3 -0.444 3.515 3.960 -0.001 0.000 0.321 93 G C 0.537 175.148 174.900 -0.481 0.000 1.246 93 G CA 0.859 45.400 45.100 -0.932 0.000 1.000 93 G HN 0.476 nan 8.290 nan 0.000 0.550 94 N N 1.206 119.772 118.700 -0.224 0.000 2.497 94 N HA 0.535 5.275 4.740 -0.001 0.000 0.284 94 N C 0.251 175.701 175.510 -0.101 0.000 1.459 94 N CA 0.861 53.828 53.050 -0.140 0.000 0.899 94 N CB 0.172 38.617 38.487 -0.070 0.000 1.316 94 N HN 1.007 nan 8.380 nan 0.000 0.500 95 A N -0.256 122.498 122.820 -0.110 0.000 2.527 95 A HA 0.531 4.850 4.320 -0.001 0.000 0.313 95 A C 1.510 179.049 177.584 -0.074 0.000 1.410 95 A CA -0.106 51.892 52.037 -0.064 0.000 1.060 95 A CB -0.348 18.647 19.000 -0.008 0.000 1.137 95 A HN 0.339 nan 8.150 nan 0.000 0.542 96 G N 1.864 110.621 108.800 -0.071 0.000 2.418 96 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.217 96 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.217 96 G C 1.134 175.990 174.900 -0.073 0.000 1.158 96 G CA 1.181 46.239 45.100 -0.070 0.000 0.771 96 G HN 0.685 nan 8.290 nan 0.000 0.545 97 I N 1.226 121.749 120.570 -0.079 0.000 3.444 97 I HA 0.314 4.484 4.170 -0.001 0.000 0.287 97 I C 2.255 178.334 176.117 -0.063 0.000 1.302 97 I CA 0.281 61.535 61.300 -0.076 0.000 1.368 97 I CB 0.013 37.968 38.000 -0.074 0.000 1.048 97 I HN 0.159 nan 8.210 nan 0.000 0.487 98 A N -0.653 122.134 122.820 -0.056 0.000 1.970 98 A HA 0.074 4.393 4.320 -0.001 0.000 0.204 98 A C 2.045 179.595 177.584 -0.056 0.000 1.325 98 A CA 0.710 52.715 52.037 -0.052 0.000 0.767 98 A CB -0.466 18.514 19.000 -0.033 0.000 0.949 98 A HN 0.339 nan 8.150 nan 0.000 0.481 99 M N 0.115 119.678 119.600 -0.060 0.000 2.065 99 M HA -0.109 4.370 4.480 -0.001 0.000 0.259 99 M C 1.934 178.219 176.300 -0.025 0.000 1.069 99 M CA 1.824 57.092 55.300 -0.052 0.000 1.110 99 M CB -0.417 32.150 32.600 -0.055 0.000 1.328 99 M HN 0.266 nan 8.290 nan 0.000 0.405 100 R N -0.208 120.289 120.500 -0.005 0.000 2.062 100 R HA 0.007 4.346 4.340 -0.001 0.000 0.231 100 R C -0.522 175.774 176.300 -0.007 0.000 1.136 100 R CA 1.887 58.009 56.100 0.037 0.000 0.948 100 R CB -2.297 28.049 30.300 0.076 0.000 0.845 100 R HN 0.327 nan 8.270 nan 0.000 0.430 101 P HA -0.115 nan 4.420 nan 0.000 0.215 101 P C 0.950 178.203 177.300 -0.078 0.000 1.153 101 P CA 1.178 64.238 63.100 -0.067 0.000 0.853 101 P CB 0.045 31.694 31.700 -0.084 0.000 0.788 102 L N -1.211 119.969 121.223 -0.070 0.000 2.093 102 L HA -0.139 4.200 4.340 -0.001 0.000 0.208 102 L C 2.457 179.285 176.870 -0.070 0.000 1.085 102 L CA 1.328 56.125 54.840 -0.071 0.000 0.755 102 L CB -1.118 40.905 42.059 -0.060 0.000 0.904 102 L HN -0.048 nan 8.230 nan 0.000 0.435 103 A N 0.135 122.919 122.820 -0.060 0.000 1.908 103 A HA -0.218 4.102 4.320 -0.001 0.000 0.218 103 A C 2.492 180.023 177.584 -0.088 0.000 1.181 103 A CA 1.998 53.997 52.037 -0.064 0.000 0.627 103 A CB -0.613 18.358 19.000 -0.049 0.000 0.818 103 A HN 0.423 nan 8.150 nan 0.000 0.445 104 A N -0.438 122.319 122.820 -0.105 0.000 1.855 104 A HA 0.308 4.627 4.320 -0.001 0.000 0.213 104 A C 2.536 180.013 177.584 -0.179 0.000 1.195 104 A CA 1.766 53.700 52.037 -0.172 0.000 0.610 104 A CB -1.137 17.749 19.000 -0.191 0.000 0.837 104 A HN 1.067 nan 8.150 nan 0.000 0.444 105 A N -0.027 122.711 122.820 -0.137 0.000 1.908 105 A HA -0.083 4.237 4.320 -0.001 0.000 0.218 105 A C 1.954 179.477 177.584 -0.103 0.000 1.181 105 A CA 1.555 53.522 52.037 -0.117 0.000 0.627 105 A CB -0.711 18.226 19.000 -0.105 0.000 0.818 105 A HN 0.475 nan 8.150 nan 0.000 0.445 106 L N -0.707 120.461 121.223 -0.092 0.000 2.622 106 L HA -0.092 4.247 4.340 -0.001 0.000 0.233 106 L C 1.530 178.376 176.870 -0.039 0.000 1.156 106 L CA -0.097 54.696 54.840 -0.078 0.000 0.866 106 L CB -0.446 41.576 42.059 -0.062 0.000 0.980 106 L HN 0.450 nan 8.230 nan 0.000 0.448 107 C N -0.232 119.047 119.300 -0.035 0.000 2.618 107 C HA 0.160 4.620 4.460 -0.001 0.000 0.264 107 C C 1.362 176.412 174.990 0.101 0.000 1.334 107 C CA -0.667 58.368 59.018 0.029 0.000 1.731 107 C CB -0.893 26.861 27.740 0.025 0.000 1.852 107 C HN 0.248 nan 8.230 nan 0.000 0.566 108 L N 1.369 122.631 121.223 0.065 0.000 2.367 108 L HA 0.462 4.801 4.340 -0.001 0.000 0.275 108 L C 1.269 178.243 176.870 0.172 0.000 1.129 108 L CA 1.092 56.006 54.840 0.123 0.000 0.839 108 L CB -0.111 41.989 42.059 0.068 0.000 1.133 108 L HN 0.566 nan 8.230 nan 0.000 0.453 109 G N 3.284 112.198 108.800 0.190 0.000 2.528 109 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.262 109 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.262 109 G C -0.261 174.737 174.900 0.163 0.000 1.200 109 G CA -0.209 45.015 45.100 0.207 0.000 0.951 109 G HN 0.607 nan 8.290 nan 0.000 0.566 110 S N 0.991 116.777 115.700 0.143 0.000 2.593 110 S HA 0.836 5.306 4.470 -0.001 0.000 0.297 110 S C -0.009 174.688 174.600 0.162 0.000 1.112 110 S CA -0.568 57.684 58.200 0.087 0.000 1.043 110 S CB 1.715 64.919 63.200 0.006 0.000 1.054 110 S HN 0.861 nan 8.310 nan 0.000 0.516 111 N N 0.646 119.413 118.700 0.111 0.000 3.348 111 N HA 0.309 5.049 4.740 -0.001 0.000 0.233 111 N C -2.421 173.124 175.510 0.059 0.000 1.440 111 N CA -0.449 52.670 53.050 0.115 0.000 0.887 111 N CB 1.819 40.375 38.487 0.116 0.000 1.410 111 N HN 0.608 nan 8.380 nan 0.000 0.502 112 D N 1.340 121.769 120.400 0.048 0.000 2.411 112 D HA 0.491 5.131 4.640 -0.001 0.000 0.239 112 D C -1.275 175.041 176.300 0.026 0.000 1.307 112 D CA 0.006 54.023 54.000 0.029 0.000 0.930 112 D CB 0.039 40.854 40.800 0.024 0.000 1.395 112 D HN 0.455 nan 8.370 nan 0.000 0.536 113 I N 1.546 122.126 120.570 0.018 0.000 2.647 113 I HA 0.445 4.615 4.170 -0.001 0.000 0.295 113 I C -0.457 175.663 176.117 0.006 0.000 1.078 113 I CA -1.170 60.139 61.300 0.015 0.000 1.048 113 I CB 2.669 40.675 38.000 0.011 0.000 1.239 113 I HN -0.058 nan 8.210 nan 0.000 0.421 114 V N 6.226 126.147 119.914 0.013 0.000 2.417 114 V HA 0.461 4.580 4.120 -0.001 0.000 0.291 114 V C -0.201 175.900 176.094 0.011 0.000 1.024 114 V CA -0.548 61.759 62.300 0.012 0.000 0.861 114 V CB 1.802 33.640 31.823 0.024 0.000 0.985 114 V HN 0.421 nan 8.190 nan 0.000 0.436 115 L N 4.489 125.709 121.223 -0.004 0.000 2.307 115 L HA 0.743 5.082 4.340 -0.001 0.000 0.284 115 L C 0.119 176.974 176.870 -0.025 0.000 1.023 115 L CA 0.067 54.895 54.840 -0.020 0.000 0.810 115 L CB 1.845 43.882 42.059 -0.036 0.000 1.231 115 L HN 0.734 nan 8.230 nan 0.000 0.423 116 T N 1.214 115.734 114.554 -0.056 0.000 2.681 116 T HA 0.883 5.232 4.350 -0.001 0.000 0.296 116 T C -0.509 174.005 174.700 -0.309 0.000 1.157 116 T CA 0.120 62.170 62.100 -0.083 0.000 1.025 116 T CB 2.167 71.052 68.868 0.028 0.000 1.441 116 T HN 0.837 nan 8.240 nan 0.000 0.504 117 G N -0.034 108.533 108.800 -0.388 0.000 2.578 117 G HA2 0.506 4.465 3.960 -0.001 0.000 0.302 117 G HA3 0.506 4.465 3.960 -0.001 0.000 0.302 117 G C -1.433 173.181 174.900 -0.477 0.000 1.243 117 G CA -0.664 43.919 45.100 -0.863 0.000 0.843 117 G HN 0.757 nan 8.290 nan 0.000 0.486 118 E N 0.623 120.603 120.200 -0.366 0.000 2.409 118 E HA 0.196 4.546 4.350 -0.001 0.000 0.257 118 E C -1.482 175.111 176.600 -0.012 0.000 1.150 118 E CA -1.317 55.074 56.400 -0.016 0.000 0.942 118 E CB 1.207 30.911 29.700 0.006 0.000 0.979 118 E HN 0.056 nan 8.360 nan 0.000 0.447 119 P HA -0.238 nan 4.420 nan 0.000 0.216 119 P C 1.212 178.505 177.300 -0.011 0.000 1.157 119 P CA 1.481 64.587 63.100 0.011 0.000 0.880 119 P CB 0.156 31.867 31.700 0.018 0.000 0.791 120 R N -0.691 119.804 120.500 -0.008 0.000 2.120 120 R HA -0.114 4.226 4.340 -0.001 0.000 0.234 120 R C 2.055 178.347 176.300 -0.013 0.000 1.123 120 R CA 1.513 57.607 56.100 -0.009 0.000 0.975 120 R CB -1.464 28.840 30.300 0.006 0.000 0.866 120 R HN 0.065 nan 8.270 nan 0.000 0.446 121 M N 0.704 120.283 119.600 -0.034 0.000 2.213 121 M HA -0.050 4.429 4.480 -0.001 0.000 0.263 121 M C 1.015 177.325 176.300 0.016 0.000 1.062 121 M CA 1.760 57.040 55.300 -0.033 0.000 1.105 121 M CB -0.006 32.526 32.600 -0.114 0.000 1.385 121 M HN 0.054 nan 8.290 nan 0.000 0.417 122 K N -0.149 120.253 120.400 0.003 0.000 2.555 122 K HA -0.040 4.279 4.320 -0.001 0.000 0.193 122 K C 0.737 177.328 176.600 -0.016 0.000 1.032 122 K CA 0.748 57.052 56.287 0.028 0.000 1.004 122 K CB -0.034 32.465 32.500 -0.001 0.000 0.804 122 K HN 0.547 nan 8.250 nan 0.000 0.496 123 E N 0.302 120.488 120.200 -0.023 0.000 2.562 123 E HA 0.082 4.431 4.350 -0.001 0.000 0.214 123 E C -0.319 176.358 176.600 0.128 0.000 0.979 123 E CA -0.142 56.176 56.400 -0.135 0.000 1.002 123 E CB 0.727 30.351 29.700 -0.126 0.000 1.048 123 E HN 0.090 nan 8.360 nan 0.000 0.488 124 R N 2.752 123.400 120.500 0.247 0.000 2.265 124 R HA 0.241 4.580 4.340 -0.001 0.000 0.319 124 R C -2.433 174.046 176.300 0.298 0.000 1.006 124 R CA -2.040 54.203 56.100 0.238 0.000 0.880 124 R CB 0.751 31.116 30.300 0.109 0.000 1.077 124 R HN -0.043 nan 8.270 nan 0.000 0.454 125 P HA -0.046 nan 4.420 nan 0.000 0.266 125 P C -0.164 177.106 177.300 -0.050 0.000 1.195 125 P CA 0.455 63.439 63.100 -0.193 0.000 0.768 125 P CB 1.013 32.624 31.700 -0.149 0.000 0.838 126 I N 0.937 121.335 120.570 -0.287 0.000 4.620 126 I HA 0.176 4.345 4.170 -0.001 0.000 0.347 126 I C 1.808 177.665 176.117 -0.433 0.000 1.302 126 I CA 0.106 61.243 61.300 -0.271 0.000 1.277 126 I CB 0.166 38.143 38.000 -0.039 0.000 1.566 126 I HN 0.400 nan 8.210 nan 0.000 0.547 127 G N 0.238 108.785 108.800 -0.420 0.000 2.442 127 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.219 127 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.219 127 G C 1.201 175.973 174.900 -0.213 0.000 1.141 127 G CA 1.404 46.365 45.100 -0.230 0.000 0.763 127 G HN 0.543 nan 8.290 nan 0.000 0.554 128 H N -0.891 117.869 119.070 -0.516 0.000 2.387 128 H HA -0.042 4.514 4.556 -0.001 0.000 0.299 128 H C 2.434 177.483 175.328 -0.464 0.000 1.090 128 H CA 0.837 56.615 56.048 -0.450 0.000 1.332 128 H CB 0.092 29.615 29.762 -0.399 0.000 1.386 128 H HN 0.322 nan 8.280 nan 0.000 0.516 129 L N 0.528 121.358 121.223 -0.655 0.000 2.044 129 L HA -0.097 4.242 4.340 -0.001 0.000 0.205 129 L C 2.206 178.978 176.870 -0.164 0.000 1.075 129 L CA 1.067 55.707 54.840 -0.334 0.000 0.747 129 L CB -0.479 41.395 42.059 -0.308 0.000 0.903 129 L HN 0.021 nan 8.230 nan 0.000 0.435 130 V N 0.243 120.058 119.914 -0.165 0.000 2.332 130 V HA -0.305 3.815 4.120 -0.001 0.000 0.248 130 V C 2.331 178.401 176.094 -0.041 0.000 1.055 130 V CA 1.984 64.224 62.300 -0.101 0.000 1.038 130 V CB -0.834 30.927 31.823 -0.103 0.000 0.651 130 V HN 0.459 nan 8.190 nan 0.000 0.450 131 D N 0.475 120.865 120.400 -0.016 0.000 2.104 131 D HA -0.175 4.465 4.640 -0.001 0.000 0.194 131 D C 2.238 178.553 176.300 0.027 0.000 0.994 131 D CA 1.852 55.862 54.000 0.017 0.000 0.830 131 D CB -0.445 40.370 40.800 0.025 0.000 0.959 131 D HN 0.451 nan 8.370 nan 0.000 0.452 132 A N 0.610 123.443 122.820 0.022 0.000 1.877 132 A HA -0.131 4.189 4.320 -0.001 0.000 0.216 132 A C 2.456 180.120 177.584 0.133 0.000 1.186 132 A CA 1.019 53.096 52.037 0.066 0.000 0.620 132 A CB -0.843 18.191 19.000 0.056 0.000 0.822 132 A HN 0.217 nan 8.150 nan 0.000 0.443 133 L N -1.221 120.059 121.223 0.096 0.000 2.083 133 L HA -0.190 4.149 4.340 -0.001 0.000 0.209 133 L C 2.859 179.866 176.870 0.228 0.000 1.083 133 L CA 1.485 56.437 54.840 0.187 0.000 0.752 133 L CB -0.429 41.648 42.059 0.029 0.000 0.899 133 L HN 0.344 nan 8.230 nan 0.000 0.433 134 R N -0.146 120.412 120.500 0.098 0.000 2.092 134 R HA -0.099 4.241 4.340 -0.001 0.000 0.231 134 R C 2.273 178.604 176.300 0.051 0.000 1.119 134 R CA 1.049 57.184 56.100 0.059 0.000 0.970 134 R CB -0.298 30.016 30.300 0.023 0.000 0.864 134 R HN 0.313 nan 8.270 nan 0.000 0.440 135 L N -0.571 120.689 121.223 0.062 0.000 2.191 135 L HA -0.084 4.255 4.340 -0.001 0.000 0.212 135 L C 2.147 179.015 176.870 -0.004 0.000 1.103 135 L CA 1.142 56.002 54.840 0.034 0.000 0.769 135 L CB -0.357 41.730 42.059 0.047 0.000 0.908 135 L HN 0.354 nan 8.230 nan 0.000 0.438 136 G N -1.667 107.144 108.800 0.019 0.000 2.985 136 G HA2 0.282 4.242 3.960 -0.001 0.000 0.209 136 G HA3 0.282 4.242 3.960 -0.001 0.000 0.209 136 G C 1.176 175.857 174.900 -0.365 0.000 1.165 136 G CA 0.546 45.478 45.100 -0.281 0.000 0.776 136 G HN 0.497 nan 8.290 nan 0.000 0.541 137 G N -1.328 107.407 108.800 -0.108 0.000 2.211 137 G HA2 0.146 4.106 3.960 -0.001 0.000 0.201 137 G HA3 0.146 4.106 3.960 -0.001 0.000 0.201 137 G C 0.590 175.496 174.900 0.010 0.000 0.997 137 G CA 0.103 45.158 45.100 -0.076 0.000 0.652 137 G HN 1.237 nan 8.290 nan 0.000 0.500 138 A N 0.013 122.893 122.820 0.099 0.000 2.445 138 A HA 0.630 4.949 4.320 -0.001 0.000 0.242 138 A C 0.408 178.014 177.584 0.038 0.000 1.075 138 A CA 1.013 53.115 52.037 0.107 0.000 0.777 138 A CB 0.603 19.701 19.000 0.163 0.000 1.013 138 A HN 0.804 nan 8.150 nan 0.000 0.493 139 K N 1.856 122.268 120.400 0.019 0.000 2.293 139 K HA 0.646 4.966 4.320 -0.001 0.000 0.267 139 K C -1.355 175.222 176.600 -0.038 0.000 1.010 139 K CA 0.059 56.340 56.287 -0.009 0.000 0.875 139 K CB 0.109 32.607 32.500 -0.003 0.000 1.106 139 K HN 0.518 nan 8.250 nan 0.000 0.450 140 I N 3.203 123.723 120.570 -0.083 0.000 2.569 140 I HA 0.306 4.475 4.170 -0.001 0.000 0.290 140 I C -0.715 175.271 176.117 -0.219 0.000 1.088 140 I CA -0.734 60.471 61.300 -0.158 0.000 1.047 140 I CB 2.720 40.586 38.000 -0.223 0.000 1.237 140 I HN 0.499 nan 8.210 nan 0.000 0.421 141 T N 4.313 118.744 114.554 -0.205 0.000 2.824 141 T HA 0.472 4.822 4.350 -0.001 0.000 0.282 141 T C -0.928 173.664 174.700 -0.180 0.000 0.993 141 T CA -0.464 61.539 62.100 -0.161 0.000 0.967 141 T CB 0.778 69.616 68.868 -0.049 0.000 0.960 141 T HN 0.126 nan 8.240 nan 0.000 0.441 142 Y N 2.831 123.136 120.300 0.007 0.000 2.404 142 Y HA 0.278 4.827 4.550 -0.001 0.000 0.344 142 Y C 1.282 177.195 175.900 0.021 0.000 0.995 142 Y CA -0.820 57.288 58.100 0.015 0.000 1.201 142 Y CB 0.380 38.852 38.460 0.020 0.000 1.151 142 Y HN 0.561 nan 8.280 nan 0.000 0.517 143 L N 1.602 122.922 121.223 0.161 0.000 2.418 143 L HA 0.043 4.383 4.340 -0.001 0.000 0.218 143 L C 1.042 177.970 176.870 0.097 0.000 1.125 143 L CA 0.966 55.867 54.840 0.102 0.000 0.835 143 L CB 0.132 42.232 42.059 0.069 0.000 0.953 143 L HN 0.708 nan 8.230 nan 0.000 0.454 144 E N -1.168 119.104 120.200 0.120 0.000 4.072 144 E HA 0.107 4.456 4.350 -0.001 0.000 0.247 144 E C -0.319 176.324 176.600 0.072 0.000 1.033 144 E CA -0.631 55.816 56.400 0.078 0.000 1.019 144 E CB 0.334 30.070 29.700 0.059 0.000 2.662 144 E HN -0.105 nan 8.360 nan 0.000 0.514 145 Q N 2.132 121.967 119.800 0.057 0.000 2.304 145 Q HA 0.064 4.403 4.340 -0.001 0.000 0.260 145 Q C -1.015 174.978 176.000 -0.011 0.000 0.965 145 Q CA 0.159 55.982 55.803 0.034 0.000 0.898 145 Q CB 1.029 29.760 28.738 -0.012 0.000 1.196 145 Q HN 0.115 nan 8.270 nan 0.000 0.402 146 E N 3.517 123.631 120.200 -0.143 0.000 2.452 146 E HA -0.058 4.291 4.350 -0.001 0.000 0.261 146 E C -0.372 175.830 176.600 -0.664 0.000 0.987 146 E CA 0.791 56.855 56.400 -0.560 0.000 0.926 146 E CB 0.152 29.675 29.700 -0.294 0.000 0.934 146 E HN 0.725 nan 8.360 nan 0.000 0.452 147 N N 1.542 119.325 118.700 -1.528 0.000 2.979 147 N HA -0.212 4.528 4.740 -0.001 0.000 0.234 147 N C -1.373 173.596 175.510 -0.901 0.000 0.938 147 N CA 1.105 53.576 53.050 -0.965 0.000 0.961 147 N CB -1.527 36.532 38.487 -0.713 0.000 1.089 147 N HN 0.426 nan 8.380 nan 0.000 0.576 148 Y N -0.708 119.475 120.300 -0.195 0.000 2.609 148 Y HA 0.570 5.120 4.550 -0.001 0.000 0.342 148 Y C -2.235 173.742 175.900 0.129 0.000 1.058 148 Y CA -1.966 56.137 58.100 0.004 0.000 1.055 148 Y CB 1.296 39.731 38.460 -0.041 0.000 1.292 148 Y HN -0.262 nan 8.280 nan 0.000 0.476 149 P HA 0.109 nan 4.420 nan 0.000 0.272 149 P C -2.606 174.784 177.300 0.150 0.000 1.240 149 P CA -1.059 62.131 63.100 0.151 0.000 0.791 149 P CB 0.079 31.821 31.700 0.070 0.000 0.978 150 P HA 0.201 nan 4.420 nan 0.000 0.277 150 P C -1.005 176.344 177.300 0.083 0.000 1.240 150 P CA 0.298 63.441 63.100 0.071 0.000 0.798 150 P CB 0.757 32.490 31.700 0.055 0.000 0.979 151 L N 1.930 123.168 121.223 0.026 0.000 2.362 151 L HA 0.579 4.919 4.340 -0.001 0.000 0.271 151 L C 0.714 177.563 176.870 -0.035 0.000 1.002 151 L CA -0.945 53.876 54.840 -0.032 0.000 0.818 151 L CB 2.400 44.409 42.059 -0.082 0.000 1.298 151 L HN 0.339 nan 8.230 nan 0.000 0.420 152 R N 2.860 123.329 120.500 -0.052 0.000 2.265 152 R HA 0.612 4.952 4.340 -0.001 0.000 0.328 152 R C -1.465 174.805 176.300 -0.051 0.000 0.969 152 R CA -0.517 55.564 56.100 -0.032 0.000 0.832 152 R CB 0.848 31.138 30.300 -0.017 0.000 1.139 152 R HN 0.582 nan 8.270 nan 0.000 0.457 153 L N 4.971 126.173 121.223 -0.035 0.000 2.272 153 L HA 0.351 4.691 4.340 -0.001 0.000 0.289 153 L C 0.447 177.313 176.870 -0.007 0.000 1.032 153 L CA -0.291 54.530 54.840 -0.032 0.000 0.810 153 L CB 1.862 43.903 42.059 -0.029 0.000 1.205 153 L HN 0.687 nan 8.230 nan 0.000 0.422 154 Q N 2.412 122.211 119.800 -0.003 0.000 2.157 154 Q HA 0.316 4.656 4.340 -0.001 0.000 0.229 154 Q C 0.697 176.716 176.000 0.031 0.000 0.827 154 Q CA 0.008 55.819 55.803 0.015 0.000 1.055 154 Q CB 1.428 30.170 28.738 0.006 0.000 1.157 154 Q HN 0.962 nan 8.270 nan 0.000 0.482 155 G N -0.023 108.802 108.800 0.041 0.000 2.693 155 G HA2 -0.119 3.840 3.960 -0.001 0.000 0.226 155 G HA3 -0.119 3.840 3.960 -0.001 0.000 0.226 155 G C 0.506 175.451 174.900 0.074 0.000 1.354 155 G CA -0.269 44.873 45.100 0.070 0.000 0.873 155 G HN 0.748 nan 8.290 nan 0.000 0.562 156 G N -2.146 106.708 108.800 0.091 0.000 2.179 156 G HA2 0.102 4.061 3.960 -0.001 0.000 0.220 156 G HA3 0.102 4.061 3.960 -0.001 0.000 0.220 156 G C 0.481 175.428 174.900 0.078 0.000 0.990 156 G CA 0.518 45.658 45.100 0.067 0.000 0.646 156 G HN 2.022 nan 8.290 nan 0.000 0.517 157 F N 3.425 123.379 119.950 0.007 0.000 2.494 157 F HA 0.465 4.991 4.527 -0.001 0.000 0.369 157 F C 1.682 177.489 175.800 0.011 0.000 1.098 157 F CA 1.220 59.223 58.000 0.005 0.000 1.154 157 F CB 1.057 40.058 39.000 0.002 0.000 1.103 157 F HN 0.134 nan 8.300 nan 0.000 0.549 158 T N 1.779 116.044 114.554 -0.483 0.000 2.990 158 T HA 0.600 4.949 4.350 -0.001 0.000 0.249 158 T C 0.910 175.356 174.700 -0.424 0.000 1.039 158 T CA 0.244 62.164 62.100 -0.300 0.000 1.036 158 T CB -0.067 68.693 68.868 -0.180 0.000 0.994 158 T HN 1.125 nan 8.240 nan 0.000 0.489 159 G N -0.065 108.196 108.800 -0.898 0.000 2.297 159 G HA2 0.435 4.394 3.960 -0.001 0.000 0.209 159 G HA3 0.435 4.394 3.960 -0.001 0.000 0.209 159 G C 0.162 174.858 174.900 -0.340 0.000 1.267 159 G CA -0.126 44.647 45.100 -0.545 0.000 1.127 159 G HN 1.752 nan 8.290 nan 0.000 0.498 160 G N -0.779 107.940 108.800 -0.136 0.000 2.451 160 G HA2 0.182 4.142 3.960 -0.001 0.000 0.208 160 G HA3 0.182 4.142 3.960 -0.001 0.000 0.208 160 G C -0.543 174.345 174.900 -0.021 0.000 1.248 160 G CA 0.340 45.393 45.100 -0.079 0.000 0.989 160 G HN 1.629 nan 8.290 nan 0.000 0.559 161 N N 0.327 119.021 118.700 -0.010 0.000 2.414 161 N HA 0.505 5.245 4.740 -0.001 0.000 0.256 161 N C -0.519 175.013 175.510 0.037 0.000 1.029 161 N CA -0.032 53.032 53.050 0.022 0.000 0.948 161 N CB 1.722 40.219 38.487 0.017 0.000 1.102 161 N HN 0.566 nan 8.380 nan 0.000 0.496 162 V N 2.499 122.458 119.914 0.075 0.000 2.531 162 V HA 0.253 4.373 4.120 -0.001 0.000 0.301 162 V C -0.364 175.787 176.094 0.094 0.000 1.034 162 V CA -0.907 61.452 62.300 0.098 0.000 0.865 162 V CB 2.142 34.067 31.823 0.169 0.000 0.995 162 V HN 0.473 nan 8.190 nan 0.000 0.424 163 D N 2.567 123.011 120.400 0.073 0.000 2.193 163 D HA 0.626 5.266 4.640 -0.001 0.000 0.249 163 D C -0.727 175.610 176.300 0.063 0.000 1.034 163 D CA -0.060 53.979 54.000 0.066 0.000 0.902 163 D CB 2.650 43.474 40.800 0.041 0.000 1.182 163 D HN 0.339 nan 8.370 nan 0.000 0.436 164 V N 1.495 121.450 119.914 0.068 0.000 2.808 164 V HA 0.175 4.294 4.120 -0.001 0.000 0.308 164 V C -1.362 174.757 176.094 0.043 0.000 1.099 164 V CA -0.818 61.519 62.300 0.060 0.000 0.920 164 V CB 2.364 34.246 31.823 0.099 0.000 1.014 164 V HN 0.423 nan 8.190 nan 0.000 0.425 165 D N 3.898 124.276 120.400 -0.035 0.000 2.312 165 D HA 0.403 5.042 4.640 -0.001 0.000 0.252 165 D C 0.724 177.080 176.300 0.093 0.000 1.150 165 D CA 0.722 54.650 54.000 -0.120 0.000 0.870 165 D CB 1.910 42.313 40.800 -0.662 0.000 1.153 165 D HN 0.788 nan 8.370 nan 0.000 0.457 166 G N 1.481 110.348 108.800 0.111 0.000 3.453 166 G HA2 -0.052 3.908 3.960 -0.001 0.000 0.263 166 G HA3 -0.052 3.908 3.960 -0.001 0.000 0.263 166 G C 1.192 176.183 174.900 0.152 0.000 1.060 166 G CA 0.242 45.441 45.100 0.165 0.000 0.793 166 G HN 0.466 nan 8.290 nan 0.000 0.532 167 S N -0.553 115.234 115.700 0.145 0.000 2.496 167 S HA 0.051 4.521 4.470 -0.001 0.000 0.224 167 S C 1.810 176.529 174.600 0.199 0.000 0.996 167 S CA 0.930 59.215 58.200 0.141 0.000 0.927 167 S CB 0.260 63.517 63.200 0.096 0.000 0.774 167 S HN 0.022 nan 8.310 nan 0.000 0.524 168 V N -0.119 119.971 119.914 0.292 0.000 2.908 168 V HA 0.385 4.504 4.120 -0.001 0.000 0.240 168 V C 0.833 176.991 176.094 0.107 0.000 1.117 168 V CA 0.765 63.241 62.300 0.292 0.000 1.133 168 V CB 0.653 32.721 31.823 0.408 0.000 0.857 168 V HN 0.524 nan 8.190 nan 0.000 0.478 169 S N -0.784 114.889 115.700 -0.046 0.000 2.546 169 S HA 0.321 4.790 4.470 -0.001 0.000 0.272 169 S C 0.782 175.164 174.600 -0.363 0.000 1.140 169 S CA 0.159 58.118 58.200 -0.401 0.000 0.920 169 S CB 2.020 64.607 63.200 -1.021 0.000 1.083 169 S HN 0.379 nan 8.310 nan 0.000 0.476 170 S N 3.494 119.062 115.700 -0.221 0.000 2.527 170 S HA -0.015 4.454 4.470 -0.001 0.000 0.222 170 S C 1.336 175.836 174.600 -0.167 0.000 0.985 170 S CA 0.340 58.481 58.200 -0.097 0.000 0.921 170 S CB -0.344 62.868 63.200 0.020 0.000 0.772 170 S HN 0.779 nan 8.310 nan 0.000 0.529 171 Q N -0.009 119.582 119.800 -0.349 0.000 2.226 171 Q HA -0.044 4.296 4.340 -0.001 0.000 0.204 171 Q C 1.304 177.239 176.000 -0.109 0.000 0.975 171 Q CA 1.374 57.016 55.803 -0.269 0.000 0.866 171 Q CB -0.374 28.165 28.738 -0.330 0.000 0.915 171 Q HN 0.646 nan 8.270 nan 0.000 0.440 172 F N 0.260 120.205 119.950 -0.009 0.000 2.113 172 F HA -0.175 4.352 4.527 -0.001 0.000 0.297 172 F C 2.079 177.857 175.800 -0.037 0.000 1.103 172 F CA 0.557 58.551 58.000 -0.009 0.000 1.248 172 F CB -1.107 37.919 39.000 0.044 0.000 0.999 172 F HN 0.093 nan 8.300 nan 0.000 0.475 173 L N -0.116 121.188 121.223 0.135 0.000 2.083 173 L HA -0.150 4.189 4.340 -0.001 0.000 0.209 173 L C 2.228 179.050 176.870 -0.080 0.000 1.083 173 L CA 2.031 56.870 54.840 -0.003 0.000 0.752 173 L CB -1.380 40.652 42.059 -0.044 0.000 0.899 173 L HN 0.129 nan 8.230 nan 0.000 0.433 174 T N -0.129 114.392 114.554 -0.055 0.000 2.684 174 T HA -0.197 4.153 4.350 -0.001 0.000 0.267 174 T C 1.900 176.563 174.700 -0.063 0.000 1.036 174 T CA 1.530 63.593 62.100 -0.063 0.000 1.148 174 T CB -0.484 68.360 68.868 -0.039 0.000 0.863 174 T HN 0.580 nan 8.240 nan 0.000 0.436 175 A N 0.972 123.770 122.820 -0.037 0.000 1.908 175 A HA -0.027 4.292 4.320 -0.001 0.000 0.218 175 A C 2.291 179.816 177.584 -0.097 0.000 1.181 175 A CA 1.352 53.356 52.037 -0.054 0.000 0.627 175 A CB -0.841 18.151 19.000 -0.012 0.000 0.818 175 A HN 0.502 nan 8.150 nan 0.000 0.445 176 L N -0.754 120.414 121.223 -0.092 0.000 2.056 176 L HA -0.163 4.177 4.340 -0.001 0.000 0.207 176 L C 2.563 179.367 176.870 -0.109 0.000 1.078 176 L CA 0.962 55.720 54.840 -0.136 0.000 0.749 176 L CB -0.526 41.487 42.059 -0.076 0.000 0.901 176 L HN 0.367 nan 8.230 nan 0.000 0.433 177 L N -0.956 120.204 121.223 -0.106 0.000 2.046 177 L HA -0.242 4.097 4.340 -0.001 0.000 0.208 177 L C 2.614 179.480 176.870 -0.007 0.000 1.077 177 L CA 1.455 56.246 54.840 -0.082 0.000 0.747 177 L CB -0.369 41.601 42.059 -0.147 0.000 0.896 177 L HN 0.311 nan 8.230 nan 0.000 0.432 178 M N -1.418 118.171 119.600 -0.018 0.000 2.229 178 M HA -0.130 4.350 4.480 -0.001 0.000 0.264 178 M C 2.107 178.460 176.300 0.089 0.000 1.063 178 M CA 1.544 56.867 55.300 0.039 0.000 1.114 178 M CB -0.430 32.129 32.600 -0.068 0.000 1.387 178 M HN 0.188 nan 8.290 nan 0.000 0.420 179 T N 0.494 115.032 114.554 -0.026 0.000 2.894 179 T HA 0.091 4.441 4.350 -0.001 0.000 0.258 179 T C 2.003 176.690 174.700 -0.021 0.000 1.043 179 T CA 1.154 63.214 62.100 -0.067 0.000 1.141 179 T CB -0.227 68.488 68.868 -0.256 0.000 0.873 179 T HN 0.436 nan 8.240 nan 0.000 0.449 180 A N 2.348 125.159 122.820 -0.015 0.000 1.958 180 A HA -0.078 4.242 4.320 -0.001 0.000 0.221 180 A C 0.047 177.696 177.584 0.109 0.000 1.178 180 A CA 1.513 53.625 52.037 0.126 0.000 0.642 180 A CB -1.650 17.432 19.000 0.137 0.000 0.816 180 A HN 0.371 nan 8.150 nan 0.000 0.453 181 P HA -0.102 nan 4.420 nan 0.000 0.218 181 P C 0.930 178.197 177.300 -0.055 0.000 1.148 181 P CA 0.740 63.813 63.100 -0.045 0.000 0.822 181 P CB 0.000 31.595 31.700 -0.176 0.000 0.784 182 L N -1.937 119.276 121.223 -0.018 0.000 2.591 182 L HA 0.187 4.527 4.340 -0.001 0.000 0.228 182 L C 1.144 178.060 176.870 0.076 0.000 1.133 182 L CA -0.343 54.505 54.840 0.013 0.000 0.880 182 L CB -1.556 40.528 42.059 0.042 0.000 1.033 182 L HN -0.184 nan 8.230 nan 0.000 0.450 183 A N 0.583 123.478 122.820 0.126 0.000 2.386 183 A HA 0.392 4.711 4.320 -0.001 0.000 0.248 183 A C -1.159 176.472 177.584 0.077 0.000 1.082 183 A CA -0.791 51.345 52.037 0.165 0.000 0.789 183 A CB -0.108 19.068 19.000 0.294 0.000 1.025 183 A HN 0.100 nan 8.150 nan 0.000 0.490 184 P HA -0.090 nan 4.420 nan 0.000 0.218 184 P C 0.144 177.446 177.300 0.003 0.000 1.149 184 P CA 1.174 64.286 63.100 0.021 0.000 0.817 184 P CB 0.231 31.938 31.700 0.012 0.000 0.785 185 E N 0.071 120.263 120.200 -0.013 0.000 2.232 185 E HA 0.247 4.597 4.350 -0.001 0.000 0.264 185 E C -0.446 176.152 176.600 -0.004 0.000 0.973 185 E CA -1.023 55.364 56.400 -0.022 0.000 0.849 185 E CB 0.709 30.375 29.700 -0.055 0.000 1.198 185 E HN -0.031 nan 8.360 nan 0.000 0.407 186 D N 1.102 121.502 120.400 0.000 0.000 2.382 186 D HA 0.164 4.803 4.640 -0.001 0.000 0.240 186 D C -0.561 175.754 176.300 0.024 0.000 1.146 186 D CA 0.471 54.482 54.000 0.019 0.000 0.897 186 D CB 0.971 41.779 40.800 0.014 0.000 1.197 186 D HN 0.168 nan 8.370 nan 0.000 0.432 187 T N 0.326 114.916 114.554 0.060 0.000 2.876 187 T HA 0.466 4.815 4.350 -0.001 0.000 0.289 187 T C -0.491 174.267 174.700 0.096 0.000 1.014 187 T CA -0.676 61.476 62.100 0.086 0.000 0.986 187 T CB 1.701 70.673 68.868 0.174 0.000 1.021 187 T HN -0.019 nan 8.240 nan 0.000 0.458 188 V N 4.015 123.983 119.914 0.091 0.000 2.376 188 V HA 0.451 4.571 4.120 -0.001 0.000 0.287 188 V C -0.367 175.804 176.094 0.128 0.000 1.015 188 V CA -0.744 61.615 62.300 0.099 0.000 0.834 188 V CB 1.095 32.957 31.823 0.065 0.000 1.001 188 V HN 0.786 nan 8.190 nan 0.000 0.428 189 I N 5.593 126.271 120.570 0.179 0.000 2.297 189 I HA 0.472 4.642 4.170 -0.001 0.000 0.291 189 I C 0.347 176.601 176.117 0.229 0.000 1.033 189 I CA -0.286 61.134 61.300 0.199 0.000 1.253 189 I CB 0.759 38.882 38.000 0.205 0.000 1.396 189 I HN 0.374 nan 8.210 nan 0.000 0.476 190 R N 7.113 127.710 120.500 0.162 0.000 2.295 190 R HA 0.426 4.766 4.340 -0.001 0.000 0.324 190 R C -0.715 175.673 176.300 0.146 0.000 0.968 190 R CA -0.906 55.279 56.100 0.141 0.000 0.837 190 R CB 1.109 31.462 30.300 0.088 0.000 1.133 190 R HN 0.461 nan 8.270 nan 0.000 0.450 191 I N 5.572 126.248 120.570 0.176 0.000 2.471 191 I HA 0.036 4.206 4.170 -0.001 0.000 0.286 191 I C 1.594 177.771 176.117 0.100 0.000 1.079 191 I CA 0.106 61.503 61.300 0.162 0.000 1.398 191 I CB 0.841 38.973 38.000 0.221 0.000 1.403 191 I HN 0.487 nan 8.210 nan 0.000 0.530 192 K N 3.882 124.322 120.400 0.065 0.000 2.026 192 K HA -0.068 4.252 4.320 -0.001 0.000 0.208 192 K C 1.305 177.927 176.600 0.036 0.000 1.048 192 K CA 1.458 57.766 56.287 0.034 0.000 0.929 192 K CB 0.153 32.650 32.500 -0.004 0.000 0.713 192 K HN 0.907 nan 8.250 nan 0.000 0.439 193 G N -0.015 108.811 108.800 0.044 0.000 3.495 193 G HA2 0.060 4.020 3.960 -0.001 0.000 0.178 193 G HA3 0.060 4.020 3.960 -0.001 0.000 0.178 193 G C -1.170 173.768 174.900 0.063 0.000 1.262 193 G CA -0.505 44.621 45.100 0.043 0.000 1.096 193 G HN -0.018 nan 8.290 nan 0.000 0.727 194 D N 0.411 120.846 120.400 0.058 0.000 2.357 194 D HA 0.469 5.108 4.640 -0.001 0.000 0.242 194 D C -0.606 175.749 176.300 0.092 0.000 1.153 194 D CA 0.117 54.158 54.000 0.069 0.000 0.918 194 D CB 2.181 43.016 40.800 0.058 0.000 1.181 194 D HN 0.207 nan 8.370 nan 0.000 0.435 195 L N 1.886 123.168 121.223 0.098 0.000 2.372 195 L HA 0.314 4.654 4.340 -0.001 0.000 0.274 195 L C -0.630 176.297 176.870 0.095 0.000 0.988 195 L CA -0.798 54.112 54.840 0.117 0.000 0.833 195 L CB 1.347 43.501 42.059 0.159 0.000 1.236 195 L HN 0.215 nan 8.230 nan 0.000 0.410 196 V N 1.689 121.662 119.914 0.099 0.000 3.134 196 V HA 0.641 4.761 4.120 -0.001 0.000 0.313 196 V C 0.831 176.991 176.094 0.109 0.000 1.069 196 V CA -0.117 62.242 62.300 0.099 0.000 1.048 196 V CB 1.128 33.014 31.823 0.106 0.000 1.119 196 V HN 0.914 nan 8.190 nan 0.000 0.461 197 S N -0.305 115.479 115.700 0.139 0.000 3.549 197 S HA -0.237 4.232 4.470 -0.001 0.000 0.366 197 S C 1.304 176.035 174.600 0.217 0.000 1.012 197 S CA 1.352 59.686 58.200 0.223 0.000 1.141 197 S CB -1.513 61.824 63.200 0.228 0.000 0.910 197 S HN 1.107 nan 8.310 nan 0.000 0.471 198 K N 1.523 121.992 120.400 0.114 0.000 2.089 198 K HA -0.166 4.153 4.320 -0.001 0.000 0.210 198 K C -1.083 175.548 176.600 0.052 0.000 1.048 198 K CA 1.940 58.255 56.287 0.048 0.000 0.926 198 K CB -0.580 31.860 32.500 -0.100 0.000 0.714 198 K HN 0.379 nan 8.250 nan 0.000 0.448 199 P HA -0.146 nan 4.420 nan 0.000 0.219 199 P C 0.328 177.565 177.300 -0.104 0.000 1.146 199 P CA 1.170 64.228 63.100 -0.069 0.000 0.808 199 P CB -0.051 31.560 31.700 -0.149 0.000 0.779 200 Y N -1.361 118.969 120.300 0.051 0.000 2.439 200 Y HA -0.103 4.446 4.550 -0.001 0.000 0.292 200 Y C 2.188 178.117 175.900 0.048 0.000 1.130 200 Y CA 0.384 58.507 58.100 0.037 0.000 1.254 200 Y CB -0.603 37.863 38.460 0.009 0.000 1.000 200 Y HN -0.088 nan 8.280 nan 0.000 0.554 201 I N -0.006 120.687 120.570 0.205 0.000 2.315 201 I HA -0.250 3.920 4.170 -0.001 0.000 0.248 201 I C 1.593 177.818 176.117 0.180 0.000 1.117 201 I CA 1.317 62.723 61.300 0.178 0.000 1.404 201 I CB -1.044 37.115 38.000 0.265 0.000 1.071 201 I HN 0.243 nan 8.210 nan 0.000 0.419 202 D N 0.857 121.371 120.400 0.190 0.000 2.144 202 D HA -0.115 4.524 4.640 -0.001 0.000 0.199 202 D C 2.369 178.732 176.300 0.105 0.000 0.984 202 D CA 1.000 55.096 54.000 0.161 0.000 0.834 202 D CB -0.032 40.848 40.800 0.134 0.000 0.955 202 D HN 0.326 nan 8.370 nan 0.000 0.465 203 I N 0.838 121.458 120.570 0.083 0.000 2.179 203 I HA -0.242 3.927 4.170 -0.001 0.000 0.242 203 I C 2.277 178.447 176.117 0.088 0.000 1.088 203 I CA 1.063 62.411 61.300 0.081 0.000 1.357 203 I CB -0.429 37.625 38.000 0.089 0.000 1.051 203 I HN -0.024 nan 8.210 nan 0.000 0.409 204 T N 1.515 116.120 114.554 0.085 0.000 2.684 204 T HA -0.144 4.205 4.350 -0.001 0.000 0.267 204 T C 1.958 176.692 174.700 0.057 0.000 1.036 204 T CA 1.327 63.456 62.100 0.050 0.000 1.148 204 T CB -0.369 68.514 68.868 0.025 0.000 0.863 204 T HN 0.243 nan 8.240 nan 0.000 0.436 205 L N 1.387 122.656 121.223 0.077 0.000 2.131 205 L HA -0.102 4.238 4.340 -0.001 0.000 0.210 205 L C 2.753 179.680 176.870 0.096 0.000 1.092 205 L CA 0.871 55.764 54.840 0.089 0.000 0.759 205 L CB -0.613 41.509 42.059 0.104 0.000 0.903 205 L HN 0.297 nan 8.230 nan 0.000 0.435 206 N N 0.657 119.414 118.700 0.096 0.000 2.080 206 N HA -0.176 4.563 4.740 -0.001 0.000 0.189 206 N C 1.879 177.458 175.510 0.116 0.000 1.036 206 N CA 1.352 54.464 53.050 0.102 0.000 0.846 206 N CB 0.007 38.556 38.487 0.103 0.000 1.015 206 N HN 0.162 nan 8.380 nan 0.000 0.423 207 L N 1.032 122.320 121.223 0.107 0.000 2.046 207 L HA -0.086 4.254 4.340 -0.001 0.000 0.208 207 L C 2.511 179.475 176.870 0.157 0.000 1.077 207 L CA 1.157 56.061 54.840 0.107 0.000 0.747 207 L CB -1.036 41.042 42.059 0.032 0.000 0.896 207 L HN 0.298 nan 8.230 nan 0.000 0.432 208 M N -0.586 119.085 119.600 0.119 0.000 2.108 208 M HA -0.274 4.206 4.480 -0.001 0.000 0.261 208 M C 2.253 178.707 176.300 0.256 0.000 1.066 208 M CA 1.750 57.174 55.300 0.207 0.000 1.107 208 M CB -0.350 32.373 32.600 0.205 0.000 1.356 208 M HN 0.111 nan 8.290 nan 0.000 0.406 209 K N -0.293 120.207 120.400 0.166 0.000 2.097 209 K HA -0.132 4.187 4.320 -0.001 0.000 0.206 209 K C 1.721 178.384 176.600 0.105 0.000 1.049 209 K CA 1.674 58.038 56.287 0.128 0.000 0.933 209 K CB -0.053 32.502 32.500 0.091 0.000 0.717 209 K HN 0.210 nan 8.250 nan 0.000 0.442 210 T N 0.298 114.904 114.554 0.086 0.000 2.759 210 T HA -0.114 4.235 4.350 -0.001 0.000 0.269 210 T C 0.838 175.433 174.700 -0.175 0.000 1.042 210 T CA 1.222 63.294 62.100 -0.046 0.000 1.140 210 T CB -0.189 68.604 68.868 -0.125 0.000 0.864 210 T HN 0.182 nan 8.240 nan 0.000 0.455 211 F N 0.669 120.617 119.950 -0.004 0.000 2.663 211 F HA 0.390 4.917 4.527 -0.001 0.000 0.299 211 F C 1.688 177.610 175.800 0.202 0.000 1.143 211 F CA -0.160 57.878 58.000 0.063 0.000 1.387 211 F CB -0.133 38.845 39.000 -0.037 0.000 1.019 211 F HN 0.258 nan 8.300 nan 0.000 0.523 212 G N 0.213 109.139 108.800 0.210 0.000 2.141 212 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.242 212 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.242 212 G C -0.309 174.661 174.900 0.117 0.000 0.982 212 G CA 0.046 45.232 45.100 0.143 0.000 0.662 212 G HN 0.179 nan 8.290 nan 0.000 0.527 213 V N 0.248 120.262 119.914 0.168 0.000 2.588 213 V HA 0.688 4.808 4.120 -0.001 0.000 0.304 213 V C -0.080 176.073 176.094 0.098 0.000 1.042 213 V CA -0.789 61.563 62.300 0.087 0.000 0.877 213 V CB 1.942 33.775 31.823 0.017 0.000 0.996 213 V HN 0.363 nan 8.190 nan 0.000 0.425 214 E N 3.861 124.094 120.200 0.055 0.000 2.312 214 E HA 0.767 5.117 4.350 -0.001 0.000 0.267 214 E C -1.092 175.537 176.600 0.049 0.000 0.894 214 E CA -0.729 55.705 56.400 0.057 0.000 0.773 214 E CB 3.148 32.872 29.700 0.040 0.000 1.241 214 E HN 0.712 nan 8.360 nan 0.000 0.432 215 I N -2.601 118.006 120.570 0.061 0.000 3.264 215 I HA 0.511 4.681 4.170 -0.001 0.000 0.315 215 I C -0.733 175.415 176.117 0.052 0.000 1.154 215 I CA -0.970 60.372 61.300 0.070 0.000 0.962 215 I CB 2.150 40.221 38.000 0.117 0.000 1.265 215 I HN 0.349 nan 8.210 nan 0.000 0.463 216 E N 2.603 122.828 120.200 0.042 0.000 2.081 216 E HA 0.190 4.540 4.350 -0.001 0.000 0.281 216 E C -1.165 175.386 176.600 -0.082 0.000 0.986 216 E CA -0.502 55.886 56.400 -0.019 0.000 0.796 216 E CB 0.707 30.394 29.700 -0.022 0.000 1.085 216 E HN 0.558 nan 8.360 nan 0.000 0.398 217 N N 4.246 122.836 118.700 -0.184 0.000 2.439 217 N HA 0.037 4.777 4.740 -0.001 0.000 0.249 217 N C -1.213 173.986 175.510 -0.519 0.000 1.003 217 N CA -0.138 52.616 53.050 -0.494 0.000 0.942 217 N CB 0.883 39.095 38.487 -0.458 0.000 1.115 217 N HN 0.442 nan 8.380 nan 0.000 0.505 218 Q N 2.972 122.448 119.800 -0.540 0.000 2.569 218 Q HA 0.172 4.511 4.340 -0.001 0.000 0.226 218 Q C -0.687 175.197 176.000 -0.194 0.000 1.136 218 Q CA -0.547 55.093 55.803 -0.272 0.000 0.947 218 Q CB -0.015 28.646 28.738 -0.128 0.000 1.218 218 Q HN 0.656 nan 8.270 nan 0.000 0.547 219 H N 0.128 119.052 119.070 -0.244 0.000 2.690 219 H HA -0.263 4.293 4.556 -0.001 0.000 0.309 219 H C -0.810 174.569 175.328 0.085 0.000 1.138 219 H CA 1.073 57.098 56.048 -0.038 0.000 1.142 219 H CB -2.210 27.561 29.762 0.016 0.000 1.410 219 H HN 0.786 nan 8.280 nan 0.000 0.409 220 Y N -3.168 116.996 120.300 -0.226 0.000 4.604 220 Y HA -0.397 4.152 4.550 -0.001 0.000 0.230 220 Y C 1.612 177.503 175.900 -0.015 0.000 1.066 220 Y CA 1.339 59.364 58.100 -0.125 0.000 1.990 220 Y CB -1.411 37.129 38.460 0.133 0.000 1.619 220 Y HN 0.542 nan 8.280 nan 0.000 0.649 221 Q N -0.195 119.601 119.800 -0.007 0.000 2.396 221 Q HA 0.144 4.483 4.340 -0.001 0.000 0.220 221 Q C 0.636 176.653 176.000 0.029 0.000 0.900 221 Q CA 0.843 56.686 55.803 0.067 0.000 0.925 221 Q CB 0.980 29.750 28.738 0.052 0.000 1.065 221 Q HN 0.704 nan 8.270 nan 0.000 0.535 222 Q N -0.651 119.045 119.800 -0.173 0.000 2.320 222 Q HA 0.425 4.764 4.340 -0.001 0.000 0.272 222 Q C -1.853 173.929 176.000 -0.363 0.000 1.023 222 Q CA -0.303 55.446 55.803 -0.091 0.000 0.855 222 Q CB 1.576 30.297 28.738 -0.029 0.000 1.367 222 Q HN -0.083 nan 8.270 nan 0.000 0.406 223 F N 1.977 121.937 119.950 0.017 0.000 2.477 223 F HA 0.499 5.026 4.527 -0.001 0.000 0.335 223 F C -0.510 175.298 175.800 0.015 0.000 1.130 223 F CA -0.821 57.179 58.000 -0.000 0.000 0.948 223 F CB 1.998 41.001 39.000 0.006 0.000 1.154 223 F HN 0.231 nan 8.300 nan 0.000 0.439 224 V N 4.801 124.791 119.914 0.127 0.000 2.350 224 V HA 0.512 4.632 4.120 -0.001 0.000 0.276 224 V C -0.368 175.782 176.094 0.094 0.000 1.028 224 V CA -0.688 61.665 62.300 0.088 0.000 0.860 224 V CB 1.377 33.221 31.823 0.035 0.000 0.990 224 V HN 0.518 nan 8.190 nan 0.000 0.453 225 V N 5.298 125.268 119.914 0.094 0.000 2.495 225 V HA 0.449 4.569 4.120 -0.001 0.000 0.298 225 V C -0.003 176.123 176.094 0.053 0.000 1.031 225 V CA -1.152 61.196 62.300 0.079 0.000 0.871 225 V CB 1.889 33.770 31.823 0.096 0.000 0.988 225 V HN 0.780 nan 8.190 nan 0.000 0.432 226 K N 2.800 123.220 120.400 0.032 0.000 2.234 226 K HA 0.562 4.882 4.320 -0.001 0.000 0.282 226 K C 0.597 177.205 176.600 0.013 0.000 1.039 226 K CA -0.155 56.142 56.287 0.018 0.000 0.928 226 K CB 1.575 34.079 32.500 0.005 0.000 1.039 226 K HN 0.912 nan 8.250 nan 0.000 0.470 227 G N 0.076 108.886 108.800 0.017 0.000 2.563 227 G HA2 0.391 4.351 3.960 -0.001 0.000 0.283 227 G HA3 0.391 4.351 3.960 -0.001 0.000 0.283 227 G C 0.598 175.498 174.900 0.000 0.000 1.309 227 G CA -0.167 44.944 45.100 0.018 0.000 1.022 227 G HN 0.758 nan 8.290 nan 0.000 0.501 228 G N -1.659 107.143 108.800 0.004 0.000 2.179 228 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.257 228 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.257 228 G C 0.394 175.280 174.900 -0.024 0.000 1.010 228 G CA 0.897 45.995 45.100 -0.003 0.000 0.736 228 G HN 0.759 nan 8.290 nan 0.000 0.513 229 Q N -0.589 119.179 119.800 -0.054 0.000 2.185 229 Q HA 0.720 5.059 4.340 -0.001 0.000 0.225 229 Q C -0.212 175.718 176.000 -0.115 0.000 0.983 229 Q CA -0.310 55.435 55.803 -0.098 0.000 0.950 229 Q CB 1.432 30.079 28.738 -0.150 0.000 1.176 229 Q HN 0.243 nan 8.270 nan 0.000 0.510 230 S N -0.124 115.497 115.700 -0.132 0.000 2.547 230 S HA 0.412 4.881 4.470 -0.001 0.000 0.281 230 S C -1.511 173.054 174.600 -0.059 0.000 1.118 230 S CA -0.674 57.497 58.200 -0.049 0.000 0.947 230 S CB 0.597 63.788 63.200 -0.016 0.000 1.053 230 S HN 0.320 nan 8.310 nan 0.000 0.482 231 Y N 1.979 122.380 120.300 0.169 0.000 2.304 231 Y HA 0.418 4.968 4.550 -0.001 0.000 0.327 231 Y C 0.853 176.898 175.900 0.243 0.000 1.209 231 Y CA -0.054 58.155 58.100 0.183 0.000 1.299 231 Y CB 0.653 39.198 38.460 0.142 0.000 1.249 231 Y HN 0.396 nan 8.280 nan 0.000 0.519 232 Q N 0.990 121.029 119.800 0.398 0.000 2.356 232 Q HA 0.239 4.579 4.340 -0.001 0.000 0.270 232 Q C -0.509 175.613 176.000 0.204 0.000 1.058 232 Q CA -0.848 55.110 55.803 0.258 0.000 0.802 232 Q CB 2.262 31.075 28.738 0.125 0.000 1.303 232 Q HN 0.686 nan 8.270 nan 0.000 0.444 233 S N 3.126 118.925 115.700 0.165 0.000 2.546 233 S HA 0.109 4.578 4.470 -0.001 0.000 0.290 233 S C -1.369 173.164 174.600 -0.111 0.000 1.290 233 S CA -0.577 57.654 58.200 0.052 0.000 1.069 233 S CB 0.352 63.603 63.200 0.084 0.000 0.846 233 S HN 0.405 nan 8.310 nan 0.000 0.495 234 P HA 0.258 nan 4.420 nan 0.000 0.257 234 P C 1.032 178.264 177.300 -0.113 0.000 1.281 234 P CA 0.665 63.601 63.100 -0.273 0.000 0.826 234 P CB -0.400 30.992 31.700 -0.513 0.000 1.237 235 G N 0.937 109.698 108.800 -0.065 0.000 2.650 235 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.264 235 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.264 235 G C -0.115 174.797 174.900 0.019 0.000 1.263 235 G CA 0.201 45.296 45.100 -0.007 0.000 0.960 235 G HN 0.517 nan 8.290 nan 0.000 0.548 236 T N -1.582 112.991 114.554 0.032 0.000 2.767 236 T HA 0.599 4.949 4.350 -0.001 0.000 0.288 236 T C -0.781 173.978 174.700 0.097 0.000 0.963 236 T CA 0.037 62.170 62.100 0.056 0.000 1.019 236 T CB 2.030 70.916 68.868 0.031 0.000 0.923 236 T HN 1.395 nan 8.240 nan 0.000 0.468 237 Y N 3.309 123.590 120.300 -0.031 0.000 2.391 237 Y HA 0.593 5.143 4.550 -0.001 0.000 0.341 237 Y C -1.370 174.528 175.900 -0.004 0.000 0.965 237 Y CA -1.891 56.189 58.100 -0.033 0.000 1.067 237 Y CB 1.649 40.081 38.460 -0.046 0.000 1.199 237 Y HN 0.812 nan 8.280 nan 0.000 0.450 238 L N 7.349 128.241 121.223 -0.552 0.000 2.257 238 L HA 0.532 4.872 4.340 -0.001 0.000 0.290 238 L C -1.207 175.326 176.870 -0.562 0.000 1.044 238 L CA -0.444 54.157 54.840 -0.398 0.000 0.810 238 L CB 0.748 42.648 42.059 -0.265 0.000 1.193 238 L HN 0.506 nan 8.230 nan 0.000 0.425 239 V N 5.622 125.395 119.914 -0.234 0.000 2.521 239 V HA 0.115 4.235 4.120 -0.001 0.000 0.286 239 V C 0.704 176.746 176.094 -0.087 0.000 1.034 239 V CA -0.455 61.794 62.300 -0.085 0.000 1.045 239 V CB 0.341 32.190 31.823 0.043 0.000 0.974 239 V HN 0.763 nan 8.190 nan 0.000 0.480 240 E N 2.899 123.062 120.200 -0.062 0.000 2.418 240 E HA 0.240 4.589 4.350 -0.001 0.000 0.261 240 E C 0.777 177.366 176.600 -0.019 0.000 1.070 240 E CA 0.213 56.591 56.400 -0.037 0.000 0.931 240 E CB 0.599 30.296 29.700 -0.005 0.000 0.954 240 E HN 0.863 nan 8.360 nan 0.000 0.439 241 G N 1.365 110.155 108.800 -0.017 0.000 2.594 241 G HA2 -0.071 3.888 3.960 -0.001 0.000 0.243 241 G HA3 -0.071 3.888 3.960 -0.001 0.000 0.243 241 G C -0.281 174.610 174.900 -0.015 0.000 1.229 241 G CA -0.446 44.640 45.100 -0.022 0.000 0.843 241 G HN 0.503 nan 8.290 nan 0.000 0.578 242 D N 1.097 121.473 120.400 -0.040 0.000 2.338 242 D HA 0.274 4.914 4.640 -0.001 0.000 0.255 242 D C 1.330 177.622 176.300 -0.013 0.000 1.237 242 D CA 0.115 54.097 54.000 -0.030 0.000 0.883 242 D CB 1.324 42.082 40.800 -0.070 0.000 1.087 242 D HN 0.276 nan 8.370 nan 0.000 0.485 243 A N 3.181 126.000 122.820 -0.003 0.000 2.015 243 A HA -0.112 4.208 4.320 -0.001 0.000 0.219 243 A C 2.216 179.748 177.584 -0.087 0.000 1.163 243 A CA 0.997 53.027 52.037 -0.012 0.000 0.646 243 A CB 0.066 19.074 19.000 0.014 0.000 0.806 243 A HN 0.547 nan 8.150 nan 0.000 0.448 244 S N 0.094 115.745 115.700 -0.082 0.000 2.357 244 S HA -0.091 4.378 4.470 -0.001 0.000 0.221 244 S C 2.224 176.690 174.600 -0.223 0.000 1.031 244 S CA 1.363 59.459 58.200 -0.173 0.000 0.982 244 S CB -0.257 62.909 63.200 -0.057 0.000 0.853 244 S HN 0.628 nan 8.310 nan 0.000 0.458 245 S N 1.882 117.571 115.700 -0.019 0.000 2.399 245 S HA -0.014 4.455 4.470 -0.001 0.000 0.231 245 S C 2.148 176.849 174.600 0.167 0.000 1.022 245 S CA 0.887 59.204 58.200 0.195 0.000 0.983 245 S CB -0.405 62.810 63.200 0.026 0.000 0.803 245 S HN 0.595 nan 8.310 nan 0.000 0.480 246 A N 1.825 124.672 122.820 0.046 0.000 2.015 246 A HA -0.068 4.252 4.320 -0.001 0.000 0.219 246 A C 2.310 179.826 177.584 -0.114 0.000 1.163 246 A CA 1.632 53.743 52.037 0.124 0.000 0.646 246 A CB -0.884 18.167 19.000 0.086 0.000 0.806 246 A HN 0.613 nan 8.150 nan 0.000 0.448 247 S N -0.605 114.782 115.700 -0.523 0.000 2.387 247 S HA -0.275 4.194 4.470 -0.001 0.000 0.230 247 S C 1.823 175.999 174.600 -0.707 0.000 1.035 247 S CA 1.718 59.334 58.200 -0.972 0.000 1.014 247 S CB -0.952 61.140 63.200 -1.847 0.000 0.836 247 S HN 0.576 nan 8.310 nan 0.000 0.466 248 Y N 1.189 121.239 120.300 -0.417 0.000 2.181 248 Y HA 0.048 4.597 4.550 -0.001 0.000 0.288 248 Y C 2.174 177.901 175.900 -0.289 0.000 1.146 248 Y CA 0.863 58.717 58.100 -0.409 0.000 1.164 248 Y CB -1.015 37.095 38.460 -0.583 0.000 0.982 248 Y HN 0.264 nan 8.280 nan 0.000 0.515 249 F N -0.927 119.142 119.950 0.197 0.000 2.206 249 F HA -0.073 4.453 4.527 -0.001 0.000 0.298 249 F C 2.120 177.969 175.800 0.081 0.000 1.090 249 F CA 0.691 58.766 58.000 0.126 0.000 1.323 249 F CB -1.171 37.899 39.000 0.117 0.000 1.028 249 F HN -0.033 nan 8.300 nan 0.000 0.492 250 L N -0.343 121.015 121.223 0.226 0.000 2.056 250 L HA -0.146 4.194 4.340 -0.001 0.000 0.207 250 L C 2.712 179.680 176.870 0.163 0.000 1.078 250 L CA 1.158 56.104 54.840 0.177 0.000 0.749 250 L CB -1.045 41.135 42.059 0.201 0.000 0.901 250 L HN 0.142 nan 8.230 nan 0.000 0.433 251 A N 0.127 123.079 122.820 0.220 0.000 1.933 251 A HA -0.149 4.171 4.320 -0.001 0.000 0.218 251 A C 2.545 180.172 177.584 0.071 0.000 1.175 251 A CA 1.603 53.745 52.037 0.175 0.000 0.628 251 A CB -0.653 18.494 19.000 0.245 0.000 0.814 251 A HN 0.392 nan 8.150 nan 0.000 0.444 252 A N -0.097 122.770 122.820 0.078 0.000 1.940 252 A HA 0.107 4.427 4.320 -0.001 0.000 0.219 252 A C 2.466 180.048 177.584 -0.003 0.000 1.176 252 A CA 2.174 54.228 52.037 0.029 0.000 0.631 252 A CB -0.907 18.152 19.000 0.099 0.000 0.814 252 A HN 1.046 nan 8.150 nan 0.000 0.446 253 A N -0.358 122.481 122.820 0.033 0.000 1.929 253 A HA 0.261 4.580 4.320 -0.001 0.000 0.216 253 A C 2.453 180.025 177.584 -0.019 0.000 1.176 253 A CA 1.722 53.763 52.037 0.006 0.000 0.628 253 A CB -0.901 18.111 19.000 0.021 0.000 0.816 253 A HN 1.060 nan 8.150 nan 0.000 0.444 254 A N -0.380 122.432 122.820 -0.013 0.000 2.019 254 A HA -0.012 4.307 4.320 -0.001 0.000 0.219 254 A C 2.024 179.580 177.584 -0.046 0.000 1.164 254 A CA 1.519 53.539 52.037 -0.027 0.000 0.644 254 A CB -0.474 18.509 19.000 -0.027 0.000 0.805 254 A HN 0.514 nan 8.150 nan 0.000 0.449 255 I N -2.500 118.016 120.570 -0.090 0.000 2.556 255 I HA 0.049 4.218 4.170 -0.001 0.000 0.251 255 I C 1.694 177.696 176.117 -0.191 0.000 1.105 255 I CA 1.125 62.310 61.300 -0.192 0.000 1.436 255 I CB 0.251 37.990 38.000 -0.434 0.000 1.139 255 I HN 0.054 nan 8.210 nan 0.000 0.438 256 K N 0.699 121.008 120.400 -0.153 0.000 2.619 256 K HA 0.307 4.627 4.320 -0.001 0.000 0.201 256 K C 0.114 176.679 176.600 -0.058 0.000 1.090 256 K CA -0.139 56.081 56.287 -0.113 0.000 1.063 256 K CB 0.721 33.137 32.500 -0.140 0.000 0.810 256 K HN 0.155 nan 8.250 nan 0.000 0.506 257 G N -0.609 108.165 108.800 -0.044 0.000 2.588 257 G HA2 0.523 4.482 3.960 -0.001 0.000 0.281 257 G HA3 0.523 4.482 3.960 -0.001 0.000 0.281 257 G C 0.126 175.013 174.900 -0.023 0.000 1.236 257 G CA 0.008 45.092 45.100 -0.026 0.000 0.969 257 G HN 0.426 nan 8.290 nan 0.000 0.504 258 G N -1.834 106.954 108.800 -0.019 0.000 2.860 258 G HA2 0.185 4.144 3.960 -0.001 0.000 0.553 258 G HA3 0.185 4.144 3.960 -0.001 0.000 0.553 258 G C -0.277 174.611 174.900 -0.020 0.000 1.439 258 G CA 0.005 45.093 45.100 -0.020 0.000 0.879 258 G HN 1.225 nan 8.290 nan 0.000 0.545 259 T N 0.070 114.610 114.554 -0.024 0.000 2.841 259 T HA 0.591 4.940 4.350 -0.001 0.000 0.285 259 T C -0.208 174.475 174.700 -0.028 0.000 0.991 259 T CA -0.367 61.717 62.100 -0.027 0.000 0.966 259 T CB 1.925 70.770 68.868 -0.038 0.000 0.962 259 T HN 1.022 nan 8.240 nan 0.000 0.438 260 V N 3.872 123.778 119.914 -0.015 0.000 2.448 260 V HA 0.544 4.664 4.120 -0.001 0.000 0.295 260 V C -0.061 176.027 176.094 -0.011 0.000 1.025 260 V CA -0.866 61.431 62.300 -0.006 0.000 0.859 260 V CB 1.819 33.670 31.823 0.048 0.000 0.988 260 V HN 0.730 nan 8.190 nan 0.000 0.431 261 K N 4.346 124.722 120.400 -0.040 0.000 2.244 261 K HA 0.762 5.082 4.320 -0.001 0.000 0.260 261 K C -0.959 175.633 176.600 -0.012 0.000 0.951 261 K CA -0.545 55.717 56.287 -0.041 0.000 0.826 261 K CB 2.002 34.416 32.500 -0.143 0.000 1.108 261 K HN 0.594 nan 8.250 nan 0.000 0.433 262 V N 0.549 120.491 119.914 0.046 0.000 2.513 262 V HA 0.605 4.724 4.120 -0.001 0.000 0.299 262 V C -0.253 175.892 176.094 0.085 0.000 1.035 262 V CA -0.604 61.730 62.300 0.056 0.000 0.889 262 V CB 1.065 32.954 31.823 0.110 0.000 0.988 262 V HN 0.897 nan 8.190 nan 0.000 0.440 263 T N 0.430 115.017 114.554 0.056 0.000 2.918 263 T HA 0.826 5.176 4.350 -0.001 0.000 0.286 263 T C 0.881 175.610 174.700 0.048 0.000 1.026 263 T CA 0.074 62.221 62.100 0.078 0.000 1.031 263 T CB 1.400 70.299 68.868 0.052 0.000 1.046 263 T HN 2.375 nan 8.240 nan 0.000 0.479 264 G N 1.172 110.001 108.800 0.049 0.000 2.231 264 G HA2 -0.082 3.877 3.960 -0.001 0.000 0.206 264 G HA3 -0.082 3.877 3.960 -0.001 0.000 0.206 264 G C -0.046 174.868 174.900 0.023 0.000 0.996 264 G CA -0.085 45.028 45.100 0.020 0.000 0.645 264 G HN 1.472 nan 8.290 nan 0.000 0.498 265 I N -2.315 118.283 120.570 0.046 0.000 2.865 265 I HA 0.942 5.111 4.170 -0.001 0.000 0.302 265 I C 0.252 176.410 176.117 0.070 0.000 1.140 265 I CA -0.719 60.614 61.300 0.054 0.000 1.021 265 I CB 2.008 40.047 38.000 0.064 0.000 1.233 265 I HN 0.586 nan 8.210 nan 0.000 0.427 266 G N 3.296 112.152 108.800 0.092 0.000 2.731 266 G HA2 0.320 4.280 3.960 -0.001 0.000 0.309 266 G HA3 0.320 4.280 3.960 -0.001 0.000 0.309 266 G C 0.115 175.148 174.900 0.221 0.000 1.273 266 G CA -0.479 44.690 45.100 0.115 0.000 0.798 266 G HN 0.892 nan 8.290 nan 0.000 0.509 267 R N -0.417 120.196 120.500 0.188 0.000 2.193 267 R HA -0.008 4.332 4.340 -0.001 0.000 0.229 267 R C 0.718 176.977 176.300 -0.069 0.000 1.110 267 R CA 1.533 57.632 56.100 -0.001 0.000 0.988 267 R CB -0.196 30.017 30.300 -0.143 0.000 0.871 267 R HN 0.328 nan 8.270 nan 0.000 0.458 268 N N 0.869 119.559 118.700 -0.018 0.000 2.336 268 N HA 0.038 4.778 4.740 -0.001 0.000 0.189 268 N C -0.311 175.199 175.510 -0.000 0.000 1.113 268 N CA 0.137 53.172 53.050 -0.024 0.000 0.858 268 N CB 0.501 38.976 38.487 -0.021 0.000 0.970 268 N HN 0.090 nan 8.380 nan 0.000 0.471 269 S N 1.467 117.184 115.700 0.028 0.000 2.563 269 S HA -0.008 4.462 4.470 -0.001 0.000 0.284 269 S C 1.778 176.393 174.600 0.025 0.000 1.331 269 S CA -0.119 58.103 58.200 0.036 0.000 1.047 269 S CB 0.649 63.889 63.200 0.067 0.000 0.859 269 S HN 0.352 nan 8.310 nan 0.000 0.514 270 M N 0.965 120.581 119.600 0.027 0.000 2.514 270 M HA 0.150 4.630 4.480 -0.001 0.000 0.258 270 M C 0.203 176.502 176.300 -0.002 0.000 1.119 270 M CA 0.648 55.962 55.300 0.024 0.000 1.111 270 M CB -0.197 32.432 32.600 0.049 0.000 1.390 270 M HN 0.452 nan 8.290 nan 0.000 0.475 271 Q N 1.650 121.447 119.800 -0.005 0.000 2.313 271 Q HA 0.237 4.576 4.340 -0.001 0.000 0.266 271 Q C 1.232 177.190 176.000 -0.071 0.000 0.989 271 Q CA 0.082 55.852 55.803 -0.056 0.000 0.890 271 Q CB 1.312 30.037 28.738 -0.021 0.000 1.200 271 Q HN 0.536 nan 8.270 nan 0.000 0.396 272 G N 2.609 111.300 108.800 -0.182 0.000 2.443 272 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.219 272 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.219 272 G C 0.578 175.454 174.900 -0.039 0.000 1.131 272 G CA 0.317 45.344 45.100 -0.122 0.000 0.775 272 G HN 0.579 nan 8.290 nan 0.000 0.547 273 D N 0.516 120.878 120.400 -0.063 0.000 2.378 273 D HA -0.074 4.565 4.640 -0.001 0.000 0.222 273 D C 2.548 178.911 176.300 0.106 0.000 0.980 273 D CA 0.251 54.258 54.000 0.011 0.000 0.907 273 D CB -0.142 40.637 40.800 -0.035 0.000 0.899 273 D HN 0.630 nan 8.370 nan 0.000 0.527 274 I N -2.237 118.412 120.570 0.132 0.000 2.756 274 I HA -0.062 4.107 4.170 -0.001 0.000 0.262 274 I C 1.565 177.886 176.117 0.340 0.000 1.225 274 I CA 0.591 62.040 61.300 0.247 0.000 1.472 274 I CB -0.080 38.112 38.000 0.321 0.000 1.094 274 I HN -0.204 nan 8.210 nan 0.000 0.454 275 R N 0.721 121.373 120.500 0.254 0.000 2.316 275 R HA -0.058 4.282 4.340 -0.001 0.000 0.202 275 R C 1.863 178.309 176.300 0.242 0.000 1.029 275 R CA 0.763 57.018 56.100 0.258 0.000 1.018 275 R CB -0.877 29.574 30.300 0.252 0.000 0.888 275 R HN 0.486 nan 8.270 nan 0.000 0.471 276 F N 1.737 121.729 119.950 0.070 0.000 2.171 276 F HA -0.179 4.347 4.527 -0.001 0.000 0.300 276 F C 2.150 177.969 175.800 0.033 0.000 1.090 276 F CA 1.221 59.230 58.000 0.014 0.000 1.293 276 F CB -0.152 38.818 39.000 -0.049 0.000 1.013 276 F HN 0.022 nan 8.300 nan 0.000 0.486 277 A N 0.116 122.993 122.820 0.095 0.000 1.933 277 A HA -0.203 4.116 4.320 -0.001 0.000 0.218 277 A C 1.935 179.506 177.584 -0.022 0.000 1.175 277 A CA 1.959 53.968 52.037 -0.047 0.000 0.628 277 A CB -0.967 17.957 19.000 -0.127 0.000 0.814 277 A HN 0.450 nan 8.150 nan 0.000 0.444 278 D N -0.189 120.279 120.400 0.114 0.000 2.144 278 D HA -0.103 4.537 4.640 -0.001 0.000 0.199 278 D C 2.029 178.322 176.300 -0.013 0.000 0.984 278 D CA 1.401 55.462 54.000 0.102 0.000 0.834 278 D CB -0.457 40.422 40.800 0.133 0.000 0.955 278 D HN 0.264 nan 8.370 nan 0.000 0.465 279 V N 1.033 120.885 119.914 -0.102 0.000 2.307 279 V HA -0.198 3.922 4.120 -0.001 0.000 0.245 279 V C 2.653 178.617 176.094 -0.217 0.000 1.045 279 V CA 1.079 63.285 62.300 -0.158 0.000 1.024 279 V CB -0.521 31.163 31.823 -0.232 0.000 0.651 279 V HN 0.189 nan 8.190 nan 0.000 0.449 280 L N -0.109 120.899 121.223 -0.358 0.000 2.079 280 L HA -0.227 4.113 4.340 -0.001 0.000 0.210 280 L C 2.604 179.398 176.870 -0.127 0.000 1.081 280 L CA 1.991 56.671 54.840 -0.267 0.000 0.752 280 L CB -0.589 41.287 42.059 -0.306 0.000 0.896 280 L HN 0.439 nan 8.230 nan 0.000 0.433 281 E N 0.654 120.801 120.200 -0.087 0.000 2.077 281 E HA -0.237 4.113 4.350 -0.001 0.000 0.193 281 E C 2.115 178.702 176.600 -0.022 0.000 0.989 281 E CA 1.182 57.566 56.400 -0.028 0.000 0.800 281 E CB 0.149 29.864 29.700 0.024 0.000 0.746 281 E HN 0.407 nan 8.360 nan 0.000 0.452 282 K N -0.217 120.166 120.400 -0.028 0.000 2.147 282 K HA -0.092 4.228 4.320 -0.001 0.000 0.205 282 K C 2.043 178.630 176.600 -0.023 0.000 1.049 282 K CA 1.322 57.598 56.287 -0.018 0.000 0.936 282 K CB -0.057 32.434 32.500 -0.016 0.000 0.722 282 K HN 0.262 nan 8.250 nan 0.000 0.446 283 M N -0.894 118.683 119.600 -0.039 0.000 2.492 283 M HA 0.009 4.489 4.480 -0.001 0.000 0.262 283 M C 1.036 177.326 176.300 -0.018 0.000 1.090 283 M CA 1.113 56.395 55.300 -0.029 0.000 1.110 283 M CB 0.561 33.136 32.600 -0.043 0.000 1.407 283 M HN 0.473 nan 8.290 nan 0.000 0.470 284 G N -0.181 108.607 108.800 -0.020 0.000 2.227 284 G HA2 -0.038 3.921 3.960 -0.001 0.000 0.168 284 G HA3 -0.038 3.921 3.960 -0.001 0.000 0.168 284 G C 0.073 174.965 174.900 -0.014 0.000 1.006 284 G CA -0.212 44.882 45.100 -0.011 0.000 0.684 284 G HN 0.601 nan 8.290 nan 0.000 0.489 285 A N -0.010 122.794 122.820 -0.027 0.000 2.257 285 A HA 0.813 5.132 4.320 -0.001 0.000 0.289 285 A C 0.426 177.997 177.584 -0.022 0.000 1.095 285 A CA 0.615 52.635 52.037 -0.029 0.000 0.836 285 A CB 0.679 19.651 19.000 -0.047 0.000 1.111 285 A HN 0.597 nan 8.150 nan 0.000 0.497 286 T N 1.867 116.409 114.554 -0.020 0.000 2.795 286 T HA 0.520 4.870 4.350 -0.001 0.000 0.282 286 T C -0.366 174.316 174.700 -0.031 0.000 0.980 286 T CA -0.064 62.030 62.100 -0.010 0.000 1.012 286 T CB 0.378 69.245 68.868 -0.002 0.000 0.936 286 T HN 0.360 nan 8.240 nan 0.000 0.457 287 I N 2.263 122.814 120.570 -0.030 0.000 2.474 287 I HA 0.429 4.599 4.170 -0.001 0.000 0.294 287 I C -0.184 175.877 176.117 -0.094 0.000 1.005 287 I CA -0.730 60.499 61.300 -0.118 0.000 1.113 287 I CB 1.561 39.457 38.000 -0.172 0.000 1.289 287 I HN 0.648 nan 8.210 nan 0.000 0.436 288 C N 5.053 124.263 119.300 -0.151 0.000 2.455 288 C HA 0.572 5.031 4.460 -0.001 0.000 0.320 288 C C -0.645 174.266 174.990 -0.131 0.000 1.226 288 C CA -0.677 58.342 59.018 0.002 0.000 1.569 288 C CB 0.955 28.781 27.740 0.143 0.000 2.200 288 C HN 0.722 nan 8.230 nan 0.000 0.491 289 W N 1.732 123.027 121.300 -0.009 0.000 2.606 289 W HA 0.638 5.297 4.660 -0.001 0.000 0.332 289 W C 0.434 176.676 176.519 -0.462 0.000 1.052 289 W CA 0.008 57.240 57.345 -0.189 0.000 1.223 289 W CB 1.548 30.936 29.460 -0.120 0.000 1.383 289 W HN 0.962 nan 8.180 nan 0.000 0.524 290 G N 0.611 109.011 108.800 -0.668 0.000 3.015 290 G HA2 0.212 4.171 3.960 -0.001 0.000 0.281 290 G HA3 0.212 4.171 3.960 -0.001 0.000 0.281 290 G C -0.664 174.016 174.900 -0.367 0.000 1.386 290 G CA -0.468 44.105 45.100 -0.878 0.000 0.959 290 G HN 0.404 nan 8.290 nan 0.000 0.522 291 D N -1.554 118.721 120.400 -0.207 0.000 2.149 291 D HA -0.020 4.619 4.640 -0.001 0.000 0.201 291 D C 0.761 177.031 176.300 -0.050 0.000 0.972 291 D CA 1.133 55.087 54.000 -0.078 0.000 0.835 291 D CB 0.399 41.183 40.800 -0.026 0.000 0.966 291 D HN 0.275 nan 8.370 nan 0.000 0.476 292 D N -1.493 118.888 120.400 -0.032 0.000 2.650 292 D HA 0.115 4.755 4.640 -0.001 0.000 0.265 292 D C -1.267 175.110 176.300 0.128 0.000 1.339 292 D CA -0.443 53.584 54.000 0.044 0.000 0.816 292 D CB 0.118 40.959 40.800 0.068 0.000 1.091 292 D HN 0.252 nan 8.370 nan 0.000 0.483 293 Y N -1.698 118.629 120.300 0.045 0.000 2.656 293 Y HA 0.604 5.154 4.550 -0.001 0.000 0.334 293 Y C -1.848 174.051 175.900 -0.001 0.000 1.179 293 Y CA -1.514 56.595 58.100 0.015 0.000 1.050 293 Y CB 0.918 39.376 38.460 -0.003 0.000 1.308 293 Y HN -0.208 nan 8.280 nan 0.000 0.456 294 I N 2.814 123.495 120.570 0.185 0.000 2.569 294 I HA 0.617 4.787 4.170 -0.001 0.000 0.290 294 I C -0.932 175.220 176.117 0.057 0.000 1.088 294 I CA -0.824 60.431 61.300 -0.076 0.000 1.047 294 I CB 2.529 40.344 38.000 -0.308 0.000 1.237 294 I HN 0.845 nan 8.210 nan 0.000 0.421 295 S N 4.172 119.872 115.700 0.001 0.000 2.599 295 S HA 0.728 5.197 4.470 -0.001 0.000 0.294 295 S C -1.063 173.487 174.600 -0.082 0.000 1.094 295 S CA -0.721 57.474 58.200 -0.010 0.000 0.931 295 S CB 2.171 65.374 63.200 0.004 0.000 1.093 295 S HN 0.768 nan 8.310 nan 0.000 0.488 296 C N 2.097 121.369 119.300 -0.047 0.000 2.547 296 C HA 0.848 5.307 4.460 -0.001 0.000 0.313 296 C C -0.482 174.491 174.990 -0.028 0.000 1.191 296 C CA 0.107 59.095 59.018 -0.050 0.000 1.474 296 C CB 0.595 28.316 27.740 -0.031 0.000 2.081 296 C HN 1.003 nan 8.230 nan 0.000 0.476 297 T N 4.408 118.944 114.554 -0.029 0.000 2.841 297 T HA 0.440 4.789 4.350 -0.001 0.000 0.283 297 T C -0.427 174.261 174.700 -0.019 0.000 1.000 297 T CA -0.416 61.672 62.100 -0.021 0.000 0.977 297 T CB 1.196 70.054 68.868 -0.017 0.000 0.979 297 T HN 0.825 nan 8.240 nan 0.000 0.446 298 R N 1.812 122.301 120.500 -0.019 0.000 2.537 298 R HA 0.380 4.720 4.340 -0.001 0.000 0.281 298 R C 0.803 177.096 176.300 -0.013 0.000 0.988 298 R CA 0.854 56.943 56.100 -0.019 0.000 1.077 298 R CB -0.302 29.985 30.300 -0.021 0.000 0.932 298 R HN 0.842 nan 8.270 nan 0.000 0.409 299 G N 3.387 112.181 108.800 -0.011 0.000 2.581 299 G HA2 0.218 4.177 3.960 -0.001 0.000 0.194 299 G HA3 0.218 4.177 3.960 -0.001 0.000 0.194 299 G C -0.776 174.123 174.900 -0.001 0.000 1.814 299 G CA 0.243 45.339 45.100 -0.005 0.000 0.745 299 G HN 0.705 nan 8.290 nan 0.000 0.802 300 E N -1.273 118.927 120.200 0.000 0.000 2.450 300 E HA 0.712 5.062 4.350 -0.001 0.000 0.272 300 E C -2.070 174.535 176.600 0.009 0.000 0.967 300 E CA -0.915 55.489 56.400 0.008 0.000 0.818 300 E CB 2.410 32.116 29.700 0.010 0.000 1.401 300 E HN 0.250 nan 8.360 nan 0.000 0.450 301 L N 1.916 123.152 121.223 0.021 0.000 2.457 301 L HA 0.436 4.776 4.340 -0.001 0.000 0.266 301 L C -1.729 175.159 176.870 0.031 0.000 0.979 301 L CA -0.323 54.533 54.840 0.027 0.000 0.857 301 L CB 1.361 43.451 42.059 0.052 0.000 1.213 301 L HN 0.493 nan 8.230 nan 0.000 0.418 302 N N 2.826 121.536 118.700 0.017 0.000 2.361 302 N HA 0.673 5.412 4.740 -0.001 0.000 0.302 302 N C -0.242 175.275 175.510 0.013 0.000 1.074 302 N CA -0.487 52.572 53.050 0.015 0.000 0.850 302 N CB 2.254 40.745 38.487 0.008 0.000 1.228 302 N HN 0.639 nan 8.380 nan 0.000 0.491 303 A N 1.306 124.134 122.820 0.014 0.000 2.466 303 A HA 0.407 4.727 4.320 -0.001 0.000 0.238 303 A C 0.257 177.845 177.584 0.006 0.000 1.074 303 A CA 0.190 52.234 52.037 0.012 0.000 0.774 303 A CB -0.323 18.684 19.000 0.012 0.000 1.015 303 A HN 0.666 nan 8.150 nan 0.000 0.498 304 I N -2.074 118.499 120.570 0.006 0.000 3.074 304 I HA 0.734 4.904 4.170 -0.001 0.000 0.310 304 I C -0.972 175.146 176.117 0.003 0.000 1.153 304 I CA -0.949 60.352 61.300 0.002 0.000 0.993 304 I CB 2.348 40.348 38.000 -0.001 0.000 1.237 304 I HN 0.380 nan 8.210 nan 0.000 0.443 305 D N 3.875 124.274 120.400 -0.002 0.000 2.473 305 D HA 0.624 5.263 4.640 -0.001 0.000 0.253 305 D C -1.415 174.882 176.300 -0.005 0.000 1.233 305 D CA -0.096 53.898 54.000 -0.010 0.000 0.908 305 D CB 1.015 41.802 40.800 -0.022 0.000 1.170 305 D HN 0.693 nan 8.370 nan 0.000 0.558 306 M N 1.477 121.080 119.600 0.005 0.000 2.531 306 M HA 0.221 4.700 4.480 -0.001 0.000 0.286 306 M C -0.871 175.450 176.300 0.034 0.000 1.232 306 M CA -1.016 54.300 55.300 0.025 0.000 0.877 306 M CB 2.613 35.245 32.600 0.053 0.000 1.726 306 M HN 0.133 nan 8.290 nan 0.000 0.463 307 D N 2.767 123.198 120.400 0.051 0.000 2.343 307 D HA 0.186 4.826 4.640 -0.001 0.000 0.255 307 D C -0.183 176.208 176.300 0.152 0.000 1.187 307 D CA 0.148 54.187 54.000 0.066 0.000 0.875 307 D CB 0.966 41.798 40.800 0.053 0.000 1.136 307 D HN 0.486 nan 8.370 nan 0.000 0.469 308 M N 3.389 123.043 119.600 0.091 0.000 2.475 308 M HA 0.024 4.503 4.480 -0.001 0.000 0.283 308 M C 1.337 177.662 176.300 0.042 0.000 1.165 308 M CA -0.225 55.107 55.300 0.054 0.000 0.976 308 M CB -0.724 31.880 32.600 0.007 0.000 1.428 308 M HN 0.476 nan 8.290 nan 0.000 0.495 309 N N 1.508 120.292 118.700 0.140 0.000 2.348 309 N HA -0.195 4.544 4.740 -0.001 0.000 0.185 309 N C 1.407 177.015 175.510 0.165 0.000 1.019 309 N CA 1.183 54.313 53.050 0.133 0.000 0.880 309 N CB 0.087 38.649 38.487 0.124 0.000 0.965 309 N HN 0.537 nan 8.380 nan 0.000 0.437 310 H N -0.052 119.059 119.070 0.068 0.000 2.551 310 H HA 0.064 4.619 4.556 -0.001 0.000 0.266 310 H C 0.999 176.376 175.328 0.081 0.000 0.977 310 H CA 0.303 56.386 56.048 0.058 0.000 1.163 310 H CB -0.188 29.586 29.762 0.020 0.000 1.381 310 H HN 0.336 nan 8.280 nan 0.000 0.581 311 I N -1.682 118.714 120.570 -0.290 0.000 2.884 311 I HA 0.277 4.446 4.170 -0.001 0.000 0.317 311 I C -2.307 173.835 176.117 0.042 0.000 1.498 311 I CA -1.951 59.270 61.300 -0.132 0.000 0.796 311 I CB 1.706 39.574 38.000 -0.220 0.000 2.162 311 I HN -0.272 nan 8.210 nan 0.000 0.603 312 P HA -0.172 nan 4.420 nan 0.000 0.216 312 P C 0.542 177.995 177.300 0.255 0.000 1.150 312 P CA 1.551 64.837 63.100 0.310 0.000 0.843 312 P CB 0.432 32.303 31.700 0.286 0.000 0.787 313 D N 0.299 120.757 120.400 0.096 0.000 2.085 313 D HA -0.033 4.606 4.640 -0.001 0.000 0.199 313 D C 2.269 178.492 176.300 -0.129 0.000 0.981 313 D CA 1.636 55.598 54.000 -0.063 0.000 0.834 313 D CB -1.125 39.654 40.800 -0.035 0.000 0.992 313 D HN 0.069 nan 8.370 nan 0.000 0.457 314 A N 0.916 123.655 122.820 -0.135 0.000 2.076 314 A HA -0.044 4.275 4.320 -0.001 0.000 0.220 314 A C 2.200 179.732 177.584 -0.086 0.000 1.160 314 A CA 1.924 53.765 52.037 -0.327 0.000 0.653 314 A CB -0.635 18.149 19.000 -0.359 0.000 0.801 314 A HN 0.224 nan 8.150 nan 0.000 0.455 315 A N -0.355 122.537 122.820 0.120 0.000 1.972 315 A HA -0.131 4.188 4.320 -0.001 0.000 0.219 315 A C 2.149 179.927 177.584 0.324 0.000 1.169 315 A CA 1.679 53.884 52.037 0.281 0.000 0.635 315 A CB -0.553 18.657 19.000 0.351 0.000 0.810 315 A HN 0.561 nan 8.150 nan 0.000 0.446 316 M N -0.729 118.955 119.600 0.141 0.000 2.202 316 M HA -0.134 4.345 4.480 -0.001 0.000 0.262 316 M C 2.054 178.354 176.300 0.000 0.000 1.063 316 M CA 1.876 57.141 55.300 -0.059 0.000 1.097 316 M CB -0.727 31.611 32.600 -0.437 0.000 1.382 316 M HN 0.411 nan 8.290 nan 0.000 0.413 317 T N 0.931 115.460 114.554 -0.041 0.000 2.833 317 T HA -0.054 4.296 4.350 -0.001 0.000 0.269 317 T C 1.759 176.547 174.700 0.146 0.000 1.054 317 T CA 0.903 62.988 62.100 -0.025 0.000 1.135 317 T CB -0.113 68.543 68.868 -0.353 0.000 0.869 317 T HN 0.226 nan 8.240 nan 0.000 0.466 318 I N 1.701 122.423 120.570 0.253 0.000 2.394 318 I HA -0.057 4.112 4.170 -0.001 0.000 0.251 318 I C 2.878 179.074 176.117 0.132 0.000 1.136 318 I CA 0.726 62.147 61.300 0.202 0.000 1.425 318 I CB -1.597 36.510 38.000 0.178 0.000 1.079 318 I HN 0.183 nan 8.210 nan 0.000 0.425 319 A N 1.199 124.106 122.820 0.145 0.000 1.908 319 A HA -0.226 4.094 4.320 -0.001 0.000 0.218 319 A C 2.408 179.992 177.584 -0.000 0.000 1.181 319 A CA 2.685 54.788 52.037 0.110 0.000 0.627 319 A CB -1.029 18.091 19.000 0.200 0.000 0.818 319 A HN 0.542 nan 8.150 nan 0.000 0.445 320 T N -2.996 111.512 114.554 -0.076 0.000 3.035 320 T HA 0.332 4.681 4.350 -0.001 0.000 0.259 320 T C 1.916 176.635 174.700 0.032 0.000 1.078 320 T CA 1.079 63.077 62.100 -0.169 0.000 1.132 320 T CB -0.325 68.304 68.868 -0.399 0.000 0.900 320 T HN 0.513 nan 8.240 nan 0.000 0.480 321 A N 1.813 124.701 122.820 0.114 0.000 2.019 321 A HA 0.374 4.693 4.320 -0.001 0.000 0.219 321 A C 2.710 180.411 177.584 0.195 0.000 1.164 321 A CA 1.486 53.659 52.037 0.227 0.000 0.644 321 A CB -1.253 17.845 19.000 0.162 0.000 0.805 321 A HN 0.708 nan 8.150 nan 0.000 0.449 322 A N -0.152 122.720 122.820 0.088 0.000 2.076 322 A HA -0.051 4.268 4.320 -0.001 0.000 0.220 322 A C 1.998 179.573 177.584 -0.015 0.000 1.160 322 A CA 1.350 53.414 52.037 0.044 0.000 0.653 322 A CB -0.588 18.430 19.000 0.030 0.000 0.801 322 A HN 0.510 nan 8.150 nan 0.000 0.455 323 L N -2.276 118.884 121.223 -0.105 0.000 2.265 323 L HA -0.120 4.219 4.340 -0.001 0.000 0.215 323 L C 1.546 178.146 176.870 -0.451 0.000 1.117 323 L CA 0.986 55.627 54.840 -0.332 0.000 0.782 323 L CB -0.330 41.392 42.059 -0.561 0.000 0.914 323 L HN 0.466 nan 8.230 nan 0.000 0.441 324 F N -0.581 119.370 119.950 0.001 0.000 2.695 324 F HA 0.327 4.854 4.527 -0.001 0.000 0.303 324 F C 1.246 177.049 175.800 0.005 0.000 1.091 324 F CA -0.439 57.565 58.000 0.006 0.000 1.300 324 F CB -0.063 38.942 39.000 0.008 0.000 1.071 324 F HN -0.124 nan 8.300 nan 0.000 0.578 325 A N 0.820 123.714 122.820 0.123 0.000 2.279 325 A HA 0.411 4.730 4.320 -0.001 0.000 0.303 325 A C 0.024 177.635 177.584 0.045 0.000 1.108 325 A CA -0.644 51.441 52.037 0.080 0.000 0.830 325 A CB 0.519 19.554 19.000 0.058 0.000 1.106 325 A HN 0.174 nan 8.150 nan 0.000 0.493 326 K N 0.941 121.364 120.400 0.037 0.000 2.285 326 K HA 0.482 4.801 4.320 -0.001 0.000 0.286 326 K C 0.425 177.034 176.600 0.016 0.000 1.072 326 K CA 0.913 57.215 56.287 0.025 0.000 0.913 326 K CB -0.050 32.464 32.500 0.024 0.000 1.067 326 K HN 1.714 nan 8.250 nan 0.000 0.479 327 G N 1.986 110.793 108.800 0.011 0.000 2.566 327 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.599 327 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.599 327 G C -0.893 174.011 174.900 0.008 0.000 1.292 327 G CA -0.890 44.215 45.100 0.008 0.000 0.922 327 G HN 0.505 nan 8.290 nan 0.000 0.514 328 T N 1.558 116.116 114.554 0.008 0.000 2.771 328 T HA 0.611 4.960 4.350 -0.001 0.000 0.291 328 T C 0.426 175.133 174.700 0.012 0.000 0.954 328 T CA 0.380 62.486 62.100 0.010 0.000 1.045 328 T CB 1.190 70.064 68.868 0.011 0.000 0.917 328 T HN 0.712 nan 8.240 nan 0.000 0.484 329 T N 3.680 118.244 114.554 0.018 0.000 2.837 329 T HA 0.506 4.855 4.350 -0.001 0.000 0.285 329 T C 0.049 174.766 174.700 0.028 0.000 0.984 329 T CA -0.448 61.665 62.100 0.021 0.000 1.049 329 T CB 0.917 69.802 68.868 0.028 0.000 0.947 329 T HN 0.507 nan 8.240 nan 0.000 0.472 330 T N 4.151 118.717 114.554 0.020 0.000 2.841 330 T HA 0.519 4.869 4.350 -0.001 0.000 0.285 330 T C -0.564 174.144 174.700 0.012 0.000 0.991 330 T CA -0.623 61.491 62.100 0.023 0.000 0.966 330 T CB 0.603 69.464 68.868 -0.013 0.000 0.962 330 T HN 0.334 nan 8.240 nan 0.000 0.438 331 L N 4.028 125.257 121.223 0.011 0.000 2.305 331 L HA 0.621 4.961 4.340 -0.001 0.000 0.284 331 L C 0.354 177.194 176.870 -0.051 0.000 1.013 331 L CA -0.853 53.967 54.840 -0.034 0.000 0.819 331 L CB 1.391 43.403 42.059 -0.078 0.000 1.227 331 L HN 0.396 nan 8.230 nan 0.000 0.417 332 R N 1.667 122.143 120.500 -0.040 0.000 2.902 332 R HA 0.383 4.723 4.340 -0.001 0.000 0.258 332 R C -0.006 176.272 176.300 -0.036 0.000 1.071 332 R CA -1.113 54.977 56.100 -0.017 0.000 1.024 332 R CB 0.837 31.120 30.300 -0.027 0.000 1.184 332 R HN 0.585 nan 8.270 nan 0.000 0.492 333 N N 1.256 119.955 118.700 -0.003 0.000 2.727 333 N HA -0.153 4.586 4.740 -0.001 0.000 0.251 333 N C -0.615 174.871 175.510 -0.041 0.000 1.040 333 N CA 0.692 53.747 53.050 0.010 0.000 0.712 333 N CB -0.817 37.689 38.487 0.031 0.000 0.912 333 N HN 0.630 nan 8.380 nan 0.000 0.545 334 I N -3.147 117.331 120.570 -0.154 0.000 3.326 334 I HA 0.215 4.384 4.170 -0.001 0.000 0.336 334 I C 1.321 177.273 176.117 -0.276 0.000 1.543 334 I CA -0.915 60.191 61.300 -0.324 0.000 1.013 334 I CB -0.242 37.233 38.000 -0.874 0.000 1.468 334 I HN 0.090 nan 8.210 nan 0.000 0.515 335 Y N 4.126 124.321 120.300 -0.175 0.000 2.151 335 Y HA -0.337 4.213 4.550 -0.001 0.000 0.284 335 Y C 2.317 178.191 175.900 -0.042 0.000 1.166 335 Y CA 2.557 60.561 58.100 -0.160 0.000 1.163 335 Y CB -0.172 38.213 38.460 -0.124 0.000 0.974 335 Y HN 0.648 nan 8.280 nan 0.000 0.511 336 N N -0.941 117.716 118.700 -0.071 0.000 2.609 336 N HA -0.206 4.533 4.740 -0.001 0.000 0.190 336 N C 1.042 176.545 175.510 -0.011 0.000 1.157 336 N CA 1.015 54.004 53.050 -0.102 0.000 0.918 336 N CB -1.317 37.216 38.487 0.077 0.000 0.978 336 N HN 0.435 nan 8.380 nan 0.000 0.448 337 W N 1.469 122.628 121.300 -0.235 0.000 2.392 337 W HA 0.080 4.740 4.660 -0.001 0.000 0.279 337 W C 1.948 178.333 176.519 -0.223 0.000 1.225 337 W CA 0.505 57.741 57.345 -0.182 0.000 1.233 337 W CB -0.245 29.125 29.460 -0.151 0.000 1.122 337 W HN 0.206 nan 8.180 nan 0.000 0.561 338 R N -0.185 120.234 120.500 -0.136 0.000 2.189 338 R HA -0.054 4.286 4.340 -0.001 0.000 0.223 338 R C 1.275 177.499 176.300 -0.127 0.000 1.092 338 R CA 1.440 57.426 56.100 -0.190 0.000 0.989 338 R CB -0.521 29.541 30.300 -0.398 0.000 0.876 338 R HN 0.172 nan 8.270 nan 0.000 0.457 339 V N -2.222 117.622 119.914 -0.116 0.000 3.043 339 V HA 0.300 4.420 4.120 -0.001 0.000 0.357 339 V C 0.352 176.438 176.094 -0.013 0.000 1.372 339 V CA -0.389 61.895 62.300 -0.026 0.000 1.214 339 V CB -0.162 31.675 31.823 0.024 0.000 1.224 339 V HN -0.008 nan 8.190 nan 0.000 0.507 340 K N 0.244 120.624 120.400 -0.034 0.000 2.264 340 K HA 0.478 4.798 4.320 -0.001 0.000 0.272 340 K C 1.091 177.676 176.600 -0.025 0.000 1.003 340 K CA -0.328 55.934 56.287 -0.041 0.000 1.266 340 K CB 0.511 32.967 32.500 -0.074 0.000 1.820 340 K HN 0.016 nan 8.250 nan 0.000 0.818 341 E N 0.301 120.489 120.200 -0.021 0.000 2.187 341 E HA -0.170 4.180 4.350 -0.001 0.000 0.199 341 E C 0.453 177.064 176.600 0.019 0.000 1.004 341 E CA 1.393 57.802 56.400 0.015 0.000 0.813 341 E CB 0.069 29.813 29.700 0.072 0.000 0.736 341 E HN 0.328 nan 8.360 nan 0.000 0.468 342 T N -1.795 112.752 114.554 -0.011 0.000 2.711 342 T HA 0.104 4.454 4.350 -0.001 0.000 0.302 342 T C -1.973 172.706 174.700 -0.034 0.000 1.373 342 T CA -0.869 61.234 62.100 0.005 0.000 1.000 342 T CB 1.273 70.160 68.868 0.031 0.000 1.483 342 T HN -0.106 nan 8.240 nan 0.000 0.499 343 D N 1.189 121.582 120.400 -0.012 0.000 2.402 343 D HA 0.236 4.876 4.640 -0.001 0.000 0.235 343 D C 1.193 177.481 176.300 -0.020 0.000 1.226 343 D CA -0.069 53.929 54.000 -0.003 0.000 0.918 343 D CB 0.588 41.406 40.800 0.029 0.000 1.043 343 D HN 0.424 nan 8.370 nan 0.000 0.506 344 R N 2.642 123.119 120.500 -0.039 0.000 2.148 344 R HA -0.023 4.316 4.340 -0.001 0.000 0.227 344 R C 1.975 178.370 176.300 0.158 0.000 1.103 344 R CA 0.651 56.693 56.100 -0.098 0.000 0.983 344 R CB 0.186 30.258 30.300 -0.381 0.000 0.874 344 R HN 0.477 nan 8.270 nan 0.000 0.451 345 L N -0.581 120.820 121.223 0.297 0.000 2.027 345 L HA -0.155 4.184 4.340 -0.001 0.000 0.206 345 L C 2.208 179.147 176.870 0.115 0.000 1.074 345 L CA 1.108 56.102 54.840 0.258 0.000 0.745 345 L CB -0.344 41.762 42.059 0.079 0.000 0.898 345 L HN 0.141 nan 8.230 nan 0.000 0.433 346 F N 0.701 120.629 119.950 -0.036 0.000 2.113 346 F HA -0.198 4.329 4.527 -0.001 0.000 0.297 346 F C 2.392 178.110 175.800 -0.136 0.000 1.103 346 F CA 1.277 59.239 58.000 -0.063 0.000 1.248 346 F CB -0.336 38.630 39.000 -0.057 0.000 0.999 346 F HN -0.008 nan 8.300 nan 0.000 0.475 347 A N 0.411 123.013 122.820 -0.364 0.000 1.877 347 A HA -0.217 4.103 4.320 -0.001 0.000 0.216 347 A C 2.218 179.531 177.584 -0.450 0.000 1.186 347 A CA 2.059 53.613 52.037 -0.805 0.000 0.620 347 A CB -1.006 17.293 19.000 -1.168 0.000 0.822 347 A HN 0.524 nan 8.150 nan 0.000 0.443 348 M N 0.288 119.776 119.600 -0.188 0.000 2.117 348 M HA -0.023 4.457 4.480 -0.001 0.000 0.262 348 M C 2.133 178.455 176.300 0.037 0.000 1.065 348 M CA 1.816 57.142 55.300 0.045 0.000 1.114 348 M CB -0.680 32.025 32.600 0.175 0.000 1.361 348 M HN 0.369 nan 8.290 nan 0.000 0.408 349 A N -1.225 121.564 122.820 -0.053 0.000 1.902 349 A HA -0.142 4.177 4.320 -0.001 0.000 0.217 349 A C 2.208 179.707 177.584 -0.141 0.000 1.181 349 A CA 2.290 54.287 52.037 -0.068 0.000 0.623 349 A CB -1.417 17.532 19.000 -0.085 0.000 0.818 349 A HN 0.568 nan 8.150 nan 0.000 0.443 350 T N 0.116 114.477 114.554 -0.322 0.000 2.708 350 T HA -0.120 4.230 4.350 -0.001 0.000 0.266 350 T C 1.812 176.397 174.700 -0.192 0.000 1.037 350 T CA 1.598 63.502 62.100 -0.327 0.000 1.146 350 T CB -0.234 68.293 68.868 -0.567 0.000 0.865 350 T HN 0.487 nan 8.240 nan 0.000 0.435 351 E N 1.041 121.114 120.200 -0.213 0.000 2.152 351 E HA 0.078 4.427 4.350 -0.001 0.000 0.192 351 E C 2.346 178.910 176.600 -0.061 0.000 0.983 351 E CA 0.449 56.659 56.400 -0.316 0.000 0.818 351 E CB -0.482 28.708 29.700 -0.850 0.000 0.758 351 E HN 0.450 nan 8.360 nan 0.000 0.467 352 L N 0.478 121.809 121.223 0.180 0.000 2.083 352 L HA -0.148 4.191 4.340 -0.001 0.000 0.209 352 L C 2.588 179.506 176.870 0.081 0.000 1.083 352 L CA 1.129 56.114 54.840 0.242 0.000 0.752 352 L CB -0.266 41.893 42.059 0.167 0.000 0.899 352 L HN 0.043 nan 8.230 nan 0.000 0.433 353 R N 0.029 120.539 120.500 0.016 0.000 2.120 353 R HA -0.155 4.184 4.340 -0.001 0.000 0.234 353 R C 2.212 178.503 176.300 -0.015 0.000 1.123 353 R CA 1.045 57.140 56.100 -0.007 0.000 0.975 353 R CB -0.154 30.130 30.300 -0.027 0.000 0.866 353 R HN 0.328 nan 8.270 nan 0.000 0.446 354 K N 0.385 120.764 120.400 -0.034 0.000 2.209 354 K HA -0.079 4.240 4.320 -0.001 0.000 0.204 354 K C 1.712 178.290 176.600 -0.037 0.000 1.048 354 K CA 1.351 57.607 56.287 -0.052 0.000 0.940 354 K CB 0.142 32.579 32.500 -0.105 0.000 0.729 354 K HN 0.162 nan 8.250 nan 0.000 0.451 355 V N -3.540 116.371 119.914 -0.005 0.000 3.633 355 V HA 0.382 4.502 4.120 -0.001 0.000 0.283 355 V C 0.903 176.992 176.094 -0.008 0.000 1.305 355 V CA 0.469 62.767 62.300 -0.003 0.000 1.153 355 V CB -0.080 31.761 31.823 0.030 0.000 0.950 355 V HN 0.380 nan 8.190 nan 0.000 0.432 356 G N -0.487 108.309 108.800 -0.007 0.000 2.211 356 G HA2 -0.014 3.946 3.960 -0.001 0.000 0.201 356 G HA3 -0.014 3.946 3.960 -0.001 0.000 0.201 356 G C 0.421 175.313 174.900 -0.015 0.000 0.997 356 G CA 0.035 45.129 45.100 -0.010 0.000 0.652 356 G HN 1.492 nan 8.290 nan 0.000 0.500 357 A N 0.148 122.959 122.820 -0.015 0.000 2.332 357 A HA 0.651 4.971 4.320 -0.001 0.000 0.258 357 A C 0.351 177.933 177.584 -0.003 0.000 1.087 357 A CA 0.618 52.646 52.037 -0.015 0.000 0.802 357 A CB 0.528 19.518 19.000 -0.015 0.000 1.042 357 A HN 0.628 nan 8.150 nan 0.000 0.489 358 E N 0.884 121.084 120.200 -0.000 0.000 2.174 358 E HA 0.525 4.874 4.350 -0.001 0.000 0.282 358 E C -1.498 175.110 176.600 0.014 0.000 0.992 358 E CA -0.382 56.023 56.400 0.007 0.000 0.803 358 E CB 0.941 30.646 29.700 0.009 0.000 1.090 358 E HN 0.356 nan 8.360 nan 0.000 0.396 359 V N 4.487 124.410 119.914 0.015 0.000 2.638 359 V HA 0.229 4.349 4.120 -0.001 0.000 0.306 359 V C -0.548 175.560 176.094 0.022 0.000 1.052 359 V CA -0.849 61.463 62.300 0.021 0.000 0.885 359 V CB 1.765 33.596 31.823 0.014 0.000 0.999 359 V HN 0.759 nan 8.190 nan 0.000 0.424 360 E N 3.634 123.857 120.200 0.039 0.000 2.115 360 E HA 0.265 4.614 4.350 -0.001 0.000 0.282 360 E C -0.348 176.237 176.600 -0.024 0.000 0.987 360 E CA -0.402 56.021 56.400 0.038 0.000 0.797 360 E CB 1.012 30.778 29.700 0.111 0.000 1.086 360 E HN 0.780 nan 8.360 nan 0.000 0.397 361 E N 4.172 124.337 120.200 -0.058 0.000 1.996 361 E HA 0.237 4.587 4.350 -0.001 0.000 0.280 361 E C -0.271 176.173 176.600 -0.261 0.000 1.092 361 E CA -0.457 55.872 56.400 -0.120 0.000 0.862 361 E CB 0.482 30.163 29.700 -0.033 0.000 1.066 361 E HN 0.661 nan 8.360 nan 0.000 0.396 362 G N 2.212 110.620 108.800 -0.655 0.000 2.562 362 G HA2 -0.070 3.890 3.960 -0.001 0.000 0.275 362 G HA3 -0.070 3.890 3.960 -0.001 0.000 0.275 362 G C 0.504 175.086 174.900 -0.530 0.000 1.196 362 G CA -0.284 44.125 45.100 -1.151 0.000 0.908 362 G HN 0.781 nan 8.290 nan 0.000 0.524 363 H N -0.244 118.632 119.070 -0.324 0.000 2.353 363 H HA -0.111 4.444 4.556 -0.001 0.000 0.300 363 H C 1.094 176.432 175.328 0.016 0.000 1.090 363 H CA 2.241 58.255 56.048 -0.057 0.000 1.327 363 H CB 0.391 30.183 29.762 0.051 0.000 1.383 363 H HN 0.511 nan 8.280 nan 0.000 0.508 364 D N -1.821 118.503 120.400 -0.127 0.000 2.692 364 D HA 0.090 4.730 4.640 -0.001 0.000 0.290 364 D C -0.622 175.663 176.300 -0.026 0.000 1.455 364 D CA -0.511 53.439 54.000 -0.084 0.000 0.796 364 D CB -0.990 39.853 40.800 0.072 0.000 1.131 364 D HN 0.505 nan 8.370 nan 0.000 0.467 365 Y N -1.865 118.349 120.300 -0.144 0.000 2.689 365 Y HA 0.688 5.238 4.550 -0.001 0.000 0.333 365 Y C -1.986 173.821 175.900 -0.156 0.000 1.208 365 Y CA -1.771 56.220 58.100 -0.181 0.000 1.055 365 Y CB 1.329 39.731 38.460 -0.097 0.000 1.304 365 Y HN -0.071 nan 8.280 nan 0.000 0.455 366 I N 2.009 122.596 120.570 0.028 0.000 2.607 366 I HA 0.562 4.732 4.170 -0.001 0.000 0.290 366 I C -1.502 174.697 176.117 0.137 0.000 1.129 366 I CA -0.997 60.305 61.300 0.003 0.000 1.042 366 I CB 1.849 39.816 38.000 -0.055 0.000 1.242 366 I HN 0.890 nan 8.210 nan 0.000 0.421 367 R N 7.976 128.566 120.500 0.149 0.000 2.437 367 R HA 0.704 5.044 4.340 -0.001 0.000 0.310 367 R C -1.886 174.456 176.300 0.070 0.000 0.955 367 R CA -0.519 55.654 56.100 0.122 0.000 0.851 367 R CB 1.294 31.687 30.300 0.155 0.000 1.161 367 R HN 0.632 nan 8.270 nan 0.000 0.446 368 I N 3.347 123.947 120.570 0.050 0.000 2.418 368 I HA 0.266 4.435 4.170 -0.001 0.000 0.287 368 I C -0.560 175.568 176.117 0.018 0.000 1.008 368 I CA -0.634 60.685 61.300 0.032 0.000 1.104 368 I CB 2.474 40.493 38.000 0.030 0.000 1.264 368 I HN 0.531 nan 8.210 nan 0.000 0.438 369 T N 7.318 121.878 114.554 0.010 0.000 2.788 369 T HA 0.368 4.718 4.350 -0.001 0.000 0.296 369 T C -2.462 172.229 174.700 -0.014 0.000 1.009 369 T CA -1.325 60.776 62.100 0.002 0.000 0.949 369 T CB 1.160 70.033 68.868 0.007 0.000 0.946 369 T HN 0.318 nan 8.240 nan 0.000 0.453 370 P HA 0.283 nan 4.420 nan 0.000 0.272 370 P C -2.533 174.739 177.300 -0.046 0.000 1.223 370 P CA -1.412 61.654 63.100 -0.058 0.000 0.784 370 P CB -0.038 31.611 31.700 -0.085 0.000 0.923 371 P HA 0.183 nan 4.420 nan 0.000 0.276 371 P C 0.783 178.062 177.300 -0.034 0.000 1.261 371 P CA -0.187 62.891 63.100 -0.037 0.000 0.800 371 P CB 1.110 32.788 31.700 -0.037 0.000 1.066 372 E N 0.275 120.465 120.200 -0.016 0.000 2.110 372 E HA -0.118 4.231 4.350 -0.001 0.000 0.193 372 E C 0.628 177.224 176.600 -0.007 0.000 0.988 372 E CA 1.510 57.906 56.400 -0.006 0.000 0.804 372 E CB 0.012 29.714 29.700 0.003 0.000 0.745 372 E HN 0.577 nan 8.360 nan 0.000 0.458 373 K N -0.477 119.917 120.400 -0.010 0.000 2.523 373 K HA 0.419 4.739 4.320 -0.001 0.000 0.257 373 K C -0.739 175.853 176.600 -0.014 0.000 0.932 373 K CA -0.626 55.659 56.287 -0.004 0.000 0.812 373 K CB 1.410 33.921 32.500 0.018 0.000 1.326 373 K HN -0.202 nan 8.250 nan 0.000 0.433 374 L N 2.540 123.750 121.223 -0.023 0.000 2.453 374 L HA 0.292 4.631 4.340 -0.001 0.000 0.261 374 L C 0.358 177.244 176.870 0.027 0.000 1.179 374 L CA -0.591 54.235 54.840 -0.023 0.000 0.813 374 L CB 0.432 42.463 42.059 -0.046 0.000 1.110 374 L HN 0.848 nan 8.230 nan 0.000 0.466 375 N N 0.557 119.278 118.700 0.034 0.000 2.381 375 N HA 0.307 5.046 4.740 -0.001 0.000 0.294 375 N C -0.945 174.625 175.510 0.100 0.000 1.216 375 N CA -0.739 52.357 53.050 0.078 0.000 0.803 375 N CB 1.922 40.450 38.487 0.067 0.000 1.372 375 N HN 0.338 nan 8.380 nan 0.000 0.500 376 F N 0.744 120.709 119.950 0.025 0.000 2.506 376 F HA 0.463 4.989 4.527 -0.001 0.000 0.351 376 F C -0.231 175.582 175.800 0.021 0.000 1.136 376 F CA 0.021 58.038 58.000 0.028 0.000 1.298 376 F CB 0.440 39.452 39.000 0.019 0.000 1.145 376 F HN 0.746 nan 8.300 nan 0.000 0.593 377 A N 4.662 126.766 122.820 -1.193 0.000 2.594 377 A HA 0.419 4.738 4.320 -0.001 0.000 0.295 377 A C -1.358 175.597 177.584 -1.048 0.000 1.071 377 A CA -0.838 50.687 52.037 -0.853 0.000 0.685 377 A CB 1.152 19.945 19.000 -0.344 0.000 1.285 377 A HN 0.777 nan 8.150 nan 0.000 0.405 378 E N 1.990 121.874 120.200 -0.527 0.000 2.081 378 E HA 0.434 4.783 4.350 -0.001 0.000 0.281 378 E C -0.837 175.620 176.600 -0.239 0.000 0.986 378 E CA -0.534 55.699 56.400 -0.278 0.000 0.796 378 E CB 0.428 30.087 29.700 -0.069 0.000 1.085 378 E HN 0.477 nan 8.360 nan 0.000 0.398 379 I N 3.678 124.108 120.570 -0.232 0.000 2.342 379 I HA 0.228 4.398 4.170 -0.001 0.000 0.291 379 I C 0.592 176.581 176.117 -0.214 0.000 1.010 379 I CA -0.431 60.707 61.300 -0.270 0.000 1.308 379 I CB 0.580 38.401 38.000 -0.298 0.000 1.400 379 I HN 0.531 nan 8.210 nan 0.000 0.488 380 A N 4.737 127.415 122.820 -0.237 0.000 2.388 380 A HA 0.486 4.805 4.320 -0.001 0.000 0.257 380 A C 0.956 178.439 177.584 -0.169 0.000 1.095 380 A CA -0.196 51.677 52.037 -0.273 0.000 0.791 380 A CB 0.167 18.889 19.000 -0.463 0.000 1.029 380 A HN 0.843 nan 8.150 nan 0.000 0.489 381 T N -1.919 112.562 114.554 -0.121 0.000 3.044 381 T HA 0.226 4.575 4.350 -0.001 0.000 0.260 381 T C 0.094 174.938 174.700 0.241 0.000 1.019 381 T CA 0.371 62.526 62.100 0.092 0.000 0.921 381 T CB -0.689 68.207 68.868 0.045 0.000 1.053 381 T HN 0.790 nan 8.240 nan 0.000 0.533 382 Y N 2.425 122.706 120.300 -0.032 0.000 3.721 382 Y HA -0.287 4.263 4.550 -0.001 0.000 0.218 382 Y C 0.592 176.496 175.900 0.006 0.000 1.188 382 Y CA 0.382 58.478 58.100 -0.006 0.000 1.607 382 Y CB -3.039 35.421 38.460 -0.000 0.000 1.496 382 Y HN 0.373 nan 8.280 nan 0.000 0.626 383 N N -0.426 118.337 118.700 0.105 0.000 2.708 383 N HA -0.216 4.523 4.740 -0.001 0.000 0.249 383 N C -0.691 174.886 175.510 0.113 0.000 1.097 383 N CA 1.578 54.679 53.050 0.087 0.000 0.710 383 N CB -0.565 37.963 38.487 0.069 0.000 1.032 383 N HN 0.675 nan 8.380 nan 0.000 0.551 384 D N -0.568 119.913 120.400 0.136 0.000 2.462 384 D HA 0.164 4.804 4.640 -0.001 0.000 0.245 384 D C 1.422 177.806 176.300 0.141 0.000 1.122 384 D CA -0.579 53.514 54.000 0.156 0.000 0.864 384 D CB 0.363 41.208 40.800 0.076 0.000 1.098 384 D HN 0.421 nan 8.370 nan 0.000 0.541 385 H N 2.652 121.695 119.070 -0.045 0.000 2.357 385 H HA -0.141 4.414 4.556 -0.001 0.000 0.296 385 H C 1.237 176.453 175.328 -0.187 0.000 1.108 385 H CA 1.129 57.120 56.048 -0.095 0.000 1.273 385 H CB 0.158 29.877 29.762 -0.072 0.000 1.367 385 H HN 0.219 nan 8.280 nan 0.000 0.498 386 R N -0.123 120.040 120.500 -0.561 0.000 2.189 386 R HA -0.006 4.333 4.340 -0.001 0.000 0.218 386 R C 2.069 178.206 176.300 -0.270 0.000 1.074 386 R CA 0.989 56.794 56.100 -0.491 0.000 0.991 386 R CB 0.007 29.998 30.300 -0.515 0.000 0.883 386 R HN 0.400 nan 8.270 nan 0.000 0.457 387 M N 0.246 119.764 119.600 -0.138 0.000 2.132 387 M HA -0.030 4.449 4.480 -0.001 0.000 0.263 387 M C 2.425 178.780 176.300 0.093 0.000 1.065 387 M CA 1.359 56.684 55.300 0.041 0.000 1.122 387 M CB -0.862 31.775 32.600 0.061 0.000 1.365 387 M HN 0.139 nan 8.290 nan 0.000 0.411 388 A N 0.244 123.054 122.820 -0.016 0.000 1.877 388 A HA -0.163 4.157 4.320 -0.001 0.000 0.216 388 A C 2.227 179.709 177.584 -0.170 0.000 1.186 388 A CA 1.673 53.721 52.037 0.018 0.000 0.620 388 A CB -0.571 18.465 19.000 0.059 0.000 0.822 388 A HN 0.481 nan 8.150 nan 0.000 0.443 389 M N -1.203 118.025 119.600 -0.621 0.000 2.175 389 M HA -0.150 4.330 4.480 -0.001 0.000 0.264 389 M C 2.391 178.251 176.300 -0.734 0.000 1.063 389 M CA 1.164 55.702 55.300 -1.271 0.000 1.119 389 M CB -0.649 30.547 32.600 -2.340 0.000 1.377 389 M HN 0.543 nan 8.290 nan 0.000 0.415 390 C N -0.154 118.920 119.300 -0.376 0.000 2.429 390 C HA -0.138 4.322 4.460 -0.001 0.000 0.277 390 C C 2.447 177.292 174.990 -0.241 0.000 1.262 390 C CA 0.744 59.666 59.018 -0.160 0.000 1.733 390 C CB -1.058 26.590 27.740 -0.154 0.000 2.010 390 C HN 0.441 nan 8.230 nan 0.000 0.483 391 F N 1.989 121.909 119.950 -0.051 0.000 2.661 391 F HA -0.075 4.451 4.527 -0.001 0.000 0.298 391 F C 2.597 178.437 175.800 0.067 0.000 1.137 391 F CA 1.219 59.226 58.000 0.012 0.000 1.454 391 F CB -0.400 38.594 39.000 -0.009 0.000 1.103 391 F HN 0.277 nan 8.300 nan 0.000 0.577 392 S N 0.207 116.007 115.700 0.167 0.000 2.419 392 S HA -0.178 4.291 4.470 -0.001 0.000 0.233 392 S C 1.845 176.554 174.600 0.182 0.000 1.016 392 S CA 0.928 59.278 58.200 0.250 0.000 0.974 392 S CB -0.892 62.525 63.200 0.361 0.000 0.786 392 S HN 0.476 nan 8.310 nan 0.000 0.492 393 L N 1.107 122.400 121.223 0.116 0.000 2.456 393 L HA 0.022 4.362 4.340 -0.001 0.000 0.224 393 L C 2.349 179.363 176.870 0.240 0.000 1.148 393 L CA 0.329 55.246 54.840 0.129 0.000 0.825 393 L CB -0.700 41.425 42.059 0.110 0.000 0.937 393 L HN 0.243 nan 8.230 nan 0.000 0.450 394 V N 0.559 120.610 119.914 0.229 0.000 2.490 394 V HA -0.261 3.859 4.120 -0.001 0.000 0.250 394 V C 2.640 178.911 176.094 0.295 0.000 1.061 394 V CA 1.691 64.161 62.300 0.284 0.000 1.064 394 V CB -0.704 31.229 31.823 0.182 0.000 0.670 394 V HN 0.525 nan 8.190 nan 0.000 0.461 395 A N -0.457 122.488 122.820 0.208 0.000 2.248 395 A HA 0.043 4.362 4.320 -0.001 0.000 0.210 395 A C 1.627 179.287 177.584 0.127 0.000 1.174 395 A CA 0.719 52.854 52.037 0.164 0.000 0.750 395 A CB -0.520 18.563 19.000 0.138 0.000 0.780 395 A HN 0.563 nan 8.150 nan 0.000 0.478 396 L N 1.118 122.399 121.223 0.096 0.000 2.862 396 L HA 0.129 4.468 4.340 -0.001 0.000 0.240 396 L C 0.805 177.675 176.870 0.001 0.000 1.283 396 L CA -0.039 54.759 54.840 -0.070 0.000 1.117 396 L CB -0.715 41.141 42.059 -0.338 0.000 1.444 396 L HN 0.513 nan 8.230 nan 0.000 0.456 397 S N -3.573 112.248 115.700 0.203 0.000 2.971 397 S HA 0.366 4.835 4.470 -0.001 0.000 0.320 397 S C 0.290 174.987 174.600 0.162 0.000 1.111 397 S CA -0.801 57.571 58.200 0.286 0.000 0.870 397 S CB 1.357 64.785 63.200 0.380 0.000 1.331 397 S HN 0.040 nan 8.310 nan 0.000 0.635 398 D N 0.882 121.368 120.400 0.143 0.000 2.340 398 D HA 0.185 4.825 4.640 -0.001 0.000 0.220 398 D C 0.234 176.597 176.300 0.105 0.000 1.039 398 D CA 0.716 54.777 54.000 0.102 0.000 0.866 398 D CB 0.379 41.229 40.800 0.082 0.000 0.913 398 D HN 0.493 nan 8.370 nan 0.000 0.523 399 T N 1.405 116.038 114.554 0.132 0.000 2.856 399 T HA 0.390 4.740 4.350 -0.001 0.000 0.283 399 T C -2.703 172.103 174.700 0.177 0.000 1.008 399 T CA -2.244 59.946 62.100 0.151 0.000 0.997 399 T CB 2.275 71.240 68.868 0.163 0.000 0.992 399 T HN -0.215 nan 8.240 nan 0.000 0.454 400 P HA 0.451 nan 4.420 nan 0.000 0.277 400 P C -1.145 176.334 177.300 0.299 0.000 1.271 400 P CA -0.508 62.728 63.100 0.227 0.000 0.795 400 P CB 1.043 32.867 31.700 0.206 0.000 1.101 401 V N -0.567 119.477 119.914 0.217 0.000 2.932 401 V HA 0.427 4.547 4.120 -0.001 0.000 0.307 401 V C -1.031 175.111 176.094 0.080 0.000 1.147 401 V CA -0.350 61.981 62.300 0.051 0.000 0.951 401 V CB 2.387 34.239 31.823 0.048 0.000 1.031 401 V HN 0.549 nan 8.190 nan 0.000 0.426 402 T N 7.467 121.993 114.554 -0.047 0.000 2.771 402 T HA 0.590 4.940 4.350 -0.001 0.000 0.281 402 T C -0.536 174.132 174.700 -0.054 0.000 0.982 402 T CA -0.238 61.881 62.100 0.032 0.000 0.978 402 T CB 0.780 69.751 68.868 0.171 0.000 0.930 402 T HN 0.459 nan 8.240 nan 0.000 0.447 403 I N 4.576 125.119 120.570 -0.045 0.000 2.330 403 I HA 0.326 4.496 4.170 -0.001 0.000 0.289 403 I C 0.306 176.390 176.117 -0.055 0.000 1.001 403 I CA -0.730 60.548 61.300 -0.037 0.000 1.193 403 I CB 0.949 38.954 38.000 0.008 0.000 1.345 403 I HN 0.488 nan 8.210 nan 0.000 0.461 404 L N 5.276 126.466 121.223 -0.056 0.000 2.417 404 L HA 0.145 4.485 4.340 -0.001 0.000 0.268 404 L C 0.678 177.530 176.870 -0.029 0.000 1.158 404 L CA -0.092 54.716 54.840 -0.054 0.000 0.819 404 L CB 0.088 42.100 42.059 -0.078 0.000 1.112 404 L HN 0.620 nan 8.230 nan 0.000 0.458 405 D N 1.811 122.197 120.400 -0.023 0.000 2.735 405 D HA -0.132 4.508 4.640 -0.001 0.000 0.235 405 D C -1.374 174.951 176.300 0.041 0.000 1.175 405 D CA 0.283 54.285 54.000 0.003 0.000 0.683 405 D CB 0.039 40.840 40.800 0.002 0.000 1.008 405 D HN 0.364 nan 8.370 nan 0.000 0.416 406 P HA -0.186 nan 4.420 nan 0.000 0.221 406 P C 1.097 178.530 177.300 0.222 0.000 1.145 406 P CA 0.951 64.128 63.100 0.129 0.000 0.795 406 P CB 0.099 31.727 31.700 -0.120 0.000 0.775 407 K N -0.106 120.368 120.400 0.125 0.000 2.515 407 K HA -0.062 4.257 4.320 -0.001 0.000 0.196 407 K C 2.116 178.780 176.600 0.108 0.000 1.038 407 K CA 1.083 57.443 56.287 0.121 0.000 0.967 407 K CB -0.704 31.843 32.500 0.078 0.000 0.780 407 K HN 0.344 nan 8.250 nan 0.000 0.483 408 C N 0.097 119.459 119.300 0.103 0.000 2.422 408 C HA -0.047 4.412 4.460 -0.001 0.000 0.286 408 C C 2.630 177.679 174.990 0.099 0.000 1.412 408 C CA 0.777 59.848 59.018 0.088 0.000 1.786 408 C CB -1.612 26.179 27.740 0.085 0.000 1.835 408 C HN 0.452 nan 8.230 nan 0.000 0.533 409 T N -0.594 114.024 114.554 0.106 0.000 2.929 409 T HA 0.030 4.379 4.350 -0.001 0.000 0.271 409 T C 1.875 176.640 174.700 0.108 0.000 1.085 409 T CA 1.398 63.541 62.100 0.071 0.000 1.125 409 T CB -0.614 68.218 68.868 -0.060 0.000 0.874 409 T HN 0.794 nan 8.240 nan 0.000 0.494 410 A N 1.504 124.382 122.820 0.097 0.000 2.225 410 A HA 0.006 4.326 4.320 -0.001 0.000 0.215 410 A C 2.307 179.909 177.584 0.030 0.000 1.164 410 A CA 1.525 53.614 52.037 0.086 0.000 0.710 410 A CB -0.775 18.267 19.000 0.071 0.000 0.780 410 A HN 0.627 nan 8.150 nan 0.000 0.473 411 K N -0.354 120.024 120.400 -0.037 0.000 2.063 411 K HA -0.171 4.149 4.320 -0.001 0.000 0.208 411 K C 1.579 178.085 176.600 -0.156 0.000 1.048 411 K CA 1.996 58.175 56.287 -0.180 0.000 0.928 411 K CB -0.059 32.139 32.500 -0.502 0.000 0.713 411 K HN 0.625 nan 8.250 nan 0.000 0.442 412 T N -3.892 110.639 114.554 -0.038 0.000 3.041 412 T HA 0.175 4.524 4.350 -0.001 0.000 0.276 412 T C -0.152 174.663 174.700 0.192 0.000 0.948 412 T CA -0.614 61.529 62.100 0.072 0.000 0.885 412 T CB 0.432 69.402 68.868 0.169 0.000 1.175 412 T HN 0.039 nan 8.240 nan 0.000 0.529 413 F N 1.916 121.901 119.950 0.057 0.000 3.159 413 F HA 0.467 4.994 4.527 -0.001 0.000 0.394 413 F C -2.805 173.049 175.800 0.089 0.000 1.214 413 F CA -2.927 55.127 58.000 0.089 0.000 1.241 413 F CB 1.799 40.866 39.000 0.112 0.000 2.238 413 F HN -0.188 nan 8.300 nan 0.000 0.658 414 P HA -0.117 nan 4.420 nan 0.000 0.216 414 P C 0.647 178.066 177.300 0.199 0.000 1.150 414 P CA 1.554 64.783 63.100 0.215 0.000 0.837 414 P CB 0.364 32.158 31.700 0.156 0.000 0.786 415 D N -2.666 117.903 120.400 0.282 0.000 2.325 415 D HA -0.030 4.610 4.640 -0.001 0.000 0.234 415 D C 1.325 177.560 176.300 -0.108 0.000 1.122 415 D CA -0.105 53.989 54.000 0.158 0.000 0.850 415 D CB -0.848 40.086 40.800 0.223 0.000 0.921 415 D HN 0.177 nan 8.370 nan 0.000 0.513 416 Y N 0.794 120.727 120.300 -0.611 0.000 2.069 416 Y HA -0.336 4.213 4.550 -0.001 0.000 0.278 416 Y C 1.568 177.079 175.900 -0.649 0.000 1.175 416 Y CA 1.745 59.119 58.100 -1.209 0.000 1.134 416 Y CB -0.429 37.223 38.460 -1.346 0.000 0.965 416 Y HN -0.080 nan 8.280 nan 0.000 0.498 417 F N 0.450 120.200 119.950 -0.334 0.000 2.234 417 F HA -0.128 4.398 4.527 -0.001 0.000 0.299 417 F C 2.612 178.265 175.800 -0.246 0.000 1.087 417 F CA 1.693 59.515 58.000 -0.297 0.000 1.340 417 F CB -0.663 38.295 39.000 -0.070 0.000 1.031 417 F HN 0.155 nan 8.300 nan 0.000 0.500 418 E N 0.351 120.531 120.200 -0.033 0.000 2.106 418 E HA -0.173 4.177 4.350 -0.001 0.000 0.192 418 E C 1.955 178.488 176.600 -0.111 0.000 0.984 418 E CA 0.981 57.360 56.400 -0.035 0.000 0.806 418 E CB -0.023 29.678 29.700 0.002 0.000 0.750 418 E HN 0.379 nan 8.360 nan 0.000 0.458 419 Q N 0.343 120.026 119.800 -0.195 0.000 2.079 419 Q HA -0.118 4.222 4.340 -0.001 0.000 0.200 419 Q C 2.358 178.184 176.000 -0.291 0.000 0.974 419 Q CA 0.681 56.335 55.803 -0.248 0.000 0.840 419 Q CB -0.464 28.152 28.738 -0.204 0.000 0.898 419 Q HN 0.267 nan 8.270 nan 0.000 0.430 420 L N 0.797 121.852 121.223 -0.281 0.000 2.046 420 L HA -0.057 4.282 4.340 -0.001 0.000 0.208 420 L C 2.115 178.944 176.870 -0.068 0.000 1.077 420 L CA 2.051 56.828 54.840 -0.105 0.000 0.747 420 L CB -0.798 41.083 42.059 -0.297 0.000 0.896 420 L HN 0.109 nan 8.230 nan 0.000 0.432 421 A N -0.390 122.387 122.820 -0.072 0.000 1.972 421 A HA -0.245 4.074 4.320 -0.001 0.000 0.219 421 A C 2.526 180.081 177.584 -0.048 0.000 1.169 421 A CA 1.673 53.692 52.037 -0.030 0.000 0.635 421 A CB -0.684 18.309 19.000 -0.011 0.000 0.810 421 A HN 0.530 nan 8.150 nan 0.000 0.446 422 R N 0.305 120.756 120.500 -0.083 0.000 2.105 422 R HA -0.124 4.216 4.340 -0.001 0.000 0.239 422 R C 1.794 178.044 176.300 -0.083 0.000 1.135 422 R CA 1.925 57.972 56.100 -0.088 0.000 0.967 422 R CB -0.426 29.801 30.300 -0.123 0.000 0.861 422 R HN 0.734 nan 8.270 nan 0.000 0.442 423 I N -2.080 118.436 120.570 -0.090 0.000 3.883 423 I HA 0.216 4.385 4.170 -0.001 0.000 0.326 423 I C -0.231 175.871 176.117 -0.025 0.000 1.283 423 I CA -0.225 61.038 61.300 -0.061 0.000 1.161 423 I CB 0.599 38.563 38.000 -0.060 0.000 1.012 423 I HN -0.158 nan 8.210 nan 0.000 0.421 424 S N 2.781 118.470 115.700 -0.018 0.000 2.499 424 S HA 0.350 4.819 4.470 -0.001 0.000 0.275 424 S C -0.094 174.501 174.600 -0.008 0.000 1.257 424 S CA -0.465 57.733 58.200 -0.003 0.000 1.050 424 S CB 0.635 63.840 63.200 0.009 0.000 0.937 424 S HN 0.322 nan 8.310 nan 0.000 0.490 425 Q N 1.182 120.979 119.800 -0.006 0.000 2.377 425 Q HA 0.569 4.908 4.340 -0.001 0.000 0.271 425 Q C 0.419 176.417 176.000 -0.003 0.000 1.077 425 Q CA -0.734 55.064 55.803 -0.008 0.000 0.820 425 Q CB 1.810 30.540 28.738 -0.012 0.000 1.347 425 Q HN 0.637 nan 8.270 nan 0.000 0.444 426 A N 0.400 123.219 122.820 -0.003 0.000 2.044 426 A HA 0.467 4.786 4.320 -0.001 0.000 0.213 426 A C 0.732 178.316 177.584 -0.000 0.000 1.169 426 A CA 1.212 53.249 52.037 0.001 0.000 0.724 426 A CB 0.207 19.207 19.000 0.001 0.000 0.840 426 A HN 0.661 nan 8.150 nan 0.000 0.463 427 A N 0.000 122.818 122.820 -0.003 0.000 2.254 427 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 427 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 427 A CB 0.000 18.997 19.000 -0.004 0.000 0.831 427 A HN 0.000 nan 8.150 nan 0.000 0.486