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 2g47_1_A DATA FIRST_RESID 45 DATA SEQUENCE PAIKRIGNHI TKSPEDKREY RGLELANGIK VLLISDPTTD KSSAALDVHI DATA SEQUENCE GSLSDPPNIA GLSHFCQHML FLGTKKYPKE NEYSQFLSEH AGSSNAFTSG DATA SEQUENCE EHTNYYFDVS HEHLEGALDR FAQFFLCPLF DESCKDREVN AVDSEHEKNV DATA SEQUENCE MNDAWRLFQL EKATGNPKHP FSKFGTGNKY TLETRPNQEG IDVRQELLKF DATA SEQUENCE HSAYYSSNLM AVCVLGRESL DDLTNLVVKL FSEVENKNVP LPEFPEHPFQ DATA SEQUENCE EEHLKQLYKI VPIKDIRNLY VTFPIPDLQK YYKSNPGHYL GHLIGHEGPG DATA SEQUENCE SLLSELKSKG WVNTLVGGQK EGARGFMFFI INVDLTEEGL LHVEDIILHM DATA SEQUENCE FQYIQKLRAE GPQEWVFQEC KDLNAVAFRF KDKERPRGYT SKIAGILHYY DATA SEQUENCE PLEEVLTAEY LLEEFRPDLI EMVLDKLRPE NVRVAIVSKS FEGKTDRTEE DATA SEQUENCE WYGTQYKQEA IPDEVIKKWQ NADLNGKFKL PTKNEFIPTN FEILPLEKEA DATA SEQUENCE TPYPALIKDT AMSKLWFKQD DKFFLPKACL NFEFFSPFAY VDPLHCNMAY DATA SEQUENCE LYLELLKDSL NEYAYAAELA GLSYDLQNTI YGMYLSVKGY NDKQPILLKK DATA SEQUENCE IIEKMATFEI DEKRFEIIKE AYMRSLNNFR AEQPHQHAMY YLRLLMTEVA DATA SEQUENCE WTKDELKEAL DDVTLPRLKA FIPQLLSRLH IEALLHGNIT KQAALGIMQM DATA SEQUENCE VEDTLIEHAH TKPLLPSQLV RYREVQLPDR GWFVYQQRNE VHNNCGIEIY DATA SEQUENCE YQTDMQSTSE NMFLELFCQI ISEPCFNTLR TKEQLGYIVF SGPRRANGIQ DATA SEQUENCE GLRFIIQSEK PPHYLESRVE AFLITMEKSI EDMTEEAFQK HIQALAIRRL DATA SEQUENCE DKPKKLSAEC AKYWGEIISQ QYNFDRDNTE VAYLKTLTKE DIIKFYKEML DATA SEQUENCE AVDAPRRHKV SVHVLAREMD SCPVVGXXXX XXXXNLSQAP ALPQPEVIQN DATA SEQUENCE MTEFKRGLPL FPLVKPHINF MA 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 45 P HA 0.000 nan 4.420 nan 0.000 0.216 45 P C 0.000 177.307 177.300 0.012 0.000 1.155 45 P CA 0.000 63.105 63.100 0.009 0.000 0.800 45 P CB 0.000 31.706 31.700 0.010 0.000 0.726 46 A N 0.165 122.995 122.820 0.016 0.000 2.238 46 A HA 0.397 4.717 4.320 0.001 0.000 0.208 46 A C 0.982 178.579 177.584 0.021 0.000 1.177 46 A CA 0.288 52.338 52.037 0.021 0.000 0.804 46 A CB -0.675 18.343 19.000 0.028 0.000 0.823 46 A HN 0.298 nan 8.150 nan 0.000 0.482 47 I N -0.610 119.968 120.570 0.015 0.000 2.378 47 I HA 0.193 4.363 4.170 0.001 0.000 0.291 47 I C 1.083 177.203 176.117 0.006 0.000 0.992 47 I CA -0.428 60.878 61.300 0.010 0.000 1.154 47 I CB 1.966 39.971 38.000 0.008 0.000 1.315 47 I HN 0.150 nan 8.210 nan 0.000 0.448 48 K N 5.858 126.260 120.400 0.003 0.000 2.211 48 K HA 0.170 4.490 4.320 0.001 0.000 0.201 48 K C 0.628 177.228 176.600 -0.000 0.000 1.052 48 K CA 0.710 56.998 56.287 0.001 0.000 0.973 48 K CB 0.609 33.109 32.500 -0.000 0.000 0.766 48 K HN 0.635 nan 8.250 nan 0.000 0.466 49 R N 0.053 120.552 120.500 -0.003 0.000 2.664 49 R HA 0.280 4.620 4.340 0.001 0.000 0.260 49 R C -1.897 174.399 176.300 -0.007 0.000 1.062 49 R CA -0.568 55.529 56.100 -0.004 0.000 0.902 49 R CB 1.005 31.303 30.300 -0.003 0.000 1.258 49 R HN 0.005 nan 8.270 nan 0.000 0.465 50 I N 2.606 123.170 120.570 -0.010 0.000 2.406 50 I HA 0.357 4.527 4.170 0.001 0.000 0.290 50 I C 0.885 176.990 176.117 -0.020 0.000 0.999 50 I CA -0.900 60.391 61.300 -0.016 0.000 1.124 50 I CB 1.967 39.955 38.000 -0.020 0.000 1.289 50 I HN 0.821 nan 8.210 nan 0.000 0.441 51 G N 4.819 113.608 108.800 -0.019 0.000 2.554 51 G HA2 0.088 4.049 3.960 0.001 0.000 0.238 51 G HA3 0.088 4.049 3.960 0.001 0.000 0.238 51 G C -0.062 174.812 174.900 -0.043 0.000 1.259 51 G CA -0.234 44.857 45.100 -0.016 0.000 0.843 51 G HN 0.761 nan 8.290 nan 0.000 0.582 52 N N -0.479 118.206 118.700 -0.026 0.000 2.292 52 N HA 0.055 4.795 4.740 0.001 0.000 0.278 52 N C 0.033 175.488 175.510 -0.092 0.000 1.289 52 N CA -0.619 52.392 53.050 -0.067 0.000 0.934 52 N CB 0.144 38.690 38.487 0.098 0.000 1.069 52 N HN 0.538 nan 8.380 nan 0.000 0.513 53 H N 0.935 120.016 119.070 0.018 0.000 3.157 53 H HA -0.015 4.541 4.556 0.001 0.000 0.299 53 H C -0.147 175.188 175.328 0.011 0.000 0.961 53 H CA 0.157 56.217 56.048 0.021 0.000 1.428 53 H CB 0.127 29.899 29.762 0.017 0.000 1.459 53 H HN 0.251 nan 8.280 nan 0.000 0.566 54 I N 4.343 124.969 120.570 0.094 0.000 2.308 54 I HA -0.035 4.135 4.170 0.001 0.000 0.293 54 I C 0.919 177.030 176.117 -0.010 0.000 1.078 54 I CA -0.218 61.093 61.300 0.019 0.000 1.292 54 I CB -0.267 37.727 38.000 -0.012 0.000 1.423 54 I HN 0.454 nan 8.210 nan 0.000 0.493 55 T N 8.227 122.777 114.554 -0.006 0.000 2.792 55 T HA 0.119 4.470 4.350 0.001 0.000 0.286 55 T C 0.544 175.238 174.700 -0.011 0.000 0.970 55 T CA 0.072 62.171 62.100 -0.001 0.000 1.187 55 T CB 0.099 68.959 68.868 -0.015 0.000 0.915 55 T HN 0.650 nan 8.240 nan 0.000 0.529 56 K N 0.930 121.342 120.400 0.020 0.000 2.409 56 K HA 0.707 5.027 4.320 0.001 0.000 0.252 56 K C -0.214 176.410 176.600 0.040 0.000 1.036 56 K CA -1.025 55.274 56.287 0.019 0.000 0.871 56 K CB 1.426 33.850 32.500 -0.127 0.000 1.374 56 K HN 0.325 nan 8.250 nan 0.000 0.459 57 S N 0.793 116.343 115.700 -0.251 0.000 2.564 57 S HA 0.154 4.625 4.470 0.001 0.000 0.278 57 S C -1.354 173.113 174.600 -0.222 0.000 1.333 57 S CA -1.414 56.511 58.200 -0.457 0.000 1.048 57 S CB 0.446 63.090 63.200 -0.926 0.000 0.900 57 S HN 0.613 nan 8.310 nan 0.000 0.505 58 P HA -0.058 nan 4.420 nan 0.000 0.222 58 P C 0.562 177.802 177.300 -0.100 0.000 1.147 58 P CA 0.895 63.926 63.100 -0.115 0.000 0.790 58 P CB 0.133 31.763 31.700 -0.118 0.000 0.780 59 E N -0.169 119.941 120.200 -0.150 0.000 2.435 59 E HA -0.026 4.324 4.350 0.001 0.000 0.195 59 E C 0.386 176.959 176.600 -0.045 0.000 1.029 59 E CA 0.434 56.792 56.400 -0.070 0.000 0.865 59 E CB -0.469 29.194 29.700 -0.062 0.000 0.833 59 E HN 0.278 nan 8.360 nan 0.000 0.510 60 D N 1.183 121.539 120.400 -0.074 0.000 2.316 60 D HA 0.068 4.708 4.640 0.001 0.000 0.245 60 D C 0.514 176.840 176.300 0.044 0.000 1.171 60 D CA -0.006 53.988 54.000 -0.011 0.000 0.856 60 D CB 0.738 41.539 40.800 0.002 0.000 1.090 60 D HN -0.177 nan 8.370 nan 0.000 0.476 61 K N 2.480 122.902 120.400 0.037 0.000 2.393 61 K HA 0.117 4.438 4.320 0.001 0.000 0.193 61 K C 0.659 177.268 176.600 0.016 0.000 1.026 61 K CA -0.075 56.229 56.287 0.029 0.000 1.064 61 K CB 0.541 33.051 32.500 0.016 0.000 0.833 61 K HN 0.238 nan 8.250 nan 0.000 0.521 62 R N 1.607 122.114 120.500 0.011 0.000 2.694 62 R HA 0.066 4.406 4.340 0.001 0.000 0.268 62 R C -0.016 176.193 176.300 -0.152 0.000 1.061 62 R CA 0.157 56.188 56.100 -0.114 0.000 1.133 62 R CB 0.427 30.607 30.300 -0.199 0.000 1.020 62 R HN -0.010 nan 8.270 nan 0.000 0.475 63 E N 1.916 121.958 120.200 -0.264 0.000 2.204 63 E HA 0.253 4.603 4.350 0.001 0.000 0.276 63 E C -1.022 175.383 176.600 -0.324 0.000 0.974 63 E CA -0.401 55.910 56.400 -0.148 0.000 0.815 63 E CB 1.367 31.025 29.700 -0.071 0.000 1.119 63 E HN 0.352 nan 8.360 nan 0.000 0.393 64 Y N 0.440 120.750 120.300 0.017 0.000 2.499 64 Y HA 0.517 5.067 4.550 0.001 0.000 0.347 64 Y C 0.361 176.256 175.900 -0.009 0.000 0.987 64 Y CA -0.933 57.171 58.100 0.007 0.000 1.044 64 Y CB 2.248 40.719 38.460 0.019 0.000 1.245 64 Y HN 0.307 nan 8.280 nan 0.000 0.461 65 R N 1.093 121.674 120.500 0.135 0.000 2.510 65 R HA 0.663 5.003 4.340 0.001 0.000 0.287 65 R C -1.068 175.255 176.300 0.039 0.000 1.084 65 R CA -0.555 55.579 56.100 0.057 0.000 0.934 65 R CB 1.384 31.693 30.300 0.015 0.000 1.201 65 R HN 0.943 nan 8.270 nan 0.000 0.431 66 G N 4.470 113.283 108.800 0.021 0.000 2.389 66 G HA2 0.671 4.631 3.960 0.001 0.000 0.328 66 G HA3 0.671 4.631 3.960 0.001 0.000 0.328 66 G C -0.745 174.147 174.900 -0.013 0.000 1.133 66 G CA -0.741 44.360 45.100 0.001 0.000 0.891 66 G HN 0.603 nan 8.290 nan 0.000 0.485 67 L N -1.635 119.573 121.223 -0.024 0.000 2.720 67 L HA 0.860 5.200 4.340 0.001 0.000 0.261 67 L C -1.273 175.579 176.870 -0.031 0.000 1.046 67 L CA -1.196 53.630 54.840 -0.023 0.000 0.886 67 L CB 2.519 44.567 42.059 -0.019 0.000 1.493 67 L HN 0.548 nan 8.230 nan 0.000 0.407 68 E N 1.371 121.557 120.200 -0.022 0.000 2.244 68 E HA 0.560 4.910 4.350 0.001 0.000 0.260 68 E C -1.391 175.202 176.600 -0.012 0.000 0.884 68 E CA -0.702 55.684 56.400 -0.023 0.000 0.777 68 E CB 1.945 31.634 29.700 -0.018 0.000 1.197 68 E HN 0.664 nan 8.360 nan 0.000 0.416 69 L N 2.757 123.974 121.223 -0.009 0.000 2.476 69 L HA 0.261 4.602 4.340 0.001 0.000 0.255 69 L C 1.672 178.547 176.870 0.008 0.000 1.218 69 L CA 0.103 54.948 54.840 0.008 0.000 0.819 69 L CB 0.514 42.587 42.059 0.024 0.000 1.119 69 L HN 0.788 nan 8.230 nan 0.000 0.485 70 A N 1.310 124.139 122.820 0.015 0.000 1.972 70 A HA -0.193 4.128 4.320 0.001 0.000 0.219 70 A C 1.643 179.234 177.584 0.011 0.000 1.169 70 A CA 1.868 53.911 52.037 0.011 0.000 0.635 70 A CB -0.848 18.161 19.000 0.014 0.000 0.810 70 A HN 0.944 nan 8.150 nan 0.000 0.446 71 N N -1.262 117.449 118.700 0.019 0.000 2.521 71 N HA 0.246 4.986 4.740 0.001 0.000 0.188 71 N C 1.022 176.538 175.510 0.010 0.000 1.146 71 N CA 1.295 54.356 53.050 0.018 0.000 0.893 71 N CB -0.299 38.208 38.487 0.034 0.000 0.975 71 N HN 0.781 nan 8.380 nan 0.000 0.451 72 G N -0.329 108.473 108.800 0.003 0.000 2.194 72 G HA2 -0.247 3.714 3.960 0.001 0.000 0.236 72 G HA3 -0.247 3.714 3.960 0.001 0.000 0.236 72 G C -0.106 174.787 174.900 -0.012 0.000 0.987 72 G CA -0.005 45.093 45.100 -0.005 0.000 0.635 72 G HN 0.368 nan 8.290 nan 0.000 0.520 73 I N 1.649 122.210 120.570 -0.015 0.000 2.598 73 I HA 0.160 4.330 4.170 0.001 0.000 0.284 73 I C 0.704 176.780 176.117 -0.069 0.000 1.140 73 I CA 0.342 61.615 61.300 -0.044 0.000 1.420 73 I CB 0.627 38.598 38.000 -0.047 0.000 1.387 73 I HN 0.032 nan 8.210 nan 0.000 0.553 74 K N 5.687 126.027 120.400 -0.101 0.000 2.234 74 K HA 0.559 4.879 4.320 0.001 0.000 0.282 74 K C -0.906 175.606 176.600 -0.146 0.000 1.039 74 K CA -0.462 55.757 56.287 -0.113 0.000 0.928 74 K CB 1.612 34.031 32.500 -0.134 0.000 1.039 74 K HN 0.318 nan 8.250 nan 0.000 0.470 75 V N 3.733 123.578 119.914 -0.116 0.000 2.823 75 V HA 0.401 4.522 4.120 0.001 0.000 0.312 75 V C -1.001 175.039 176.094 -0.089 0.000 1.072 75 V CA -1.057 61.167 62.300 -0.128 0.000 0.937 75 V CB 2.100 33.850 31.823 -0.122 0.000 1.013 75 V HN 0.579 nan 8.190 nan 0.000 0.430 76 L N 5.171 126.339 121.223 -0.093 0.000 2.404 76 L HA 0.611 4.951 4.340 0.001 0.000 0.272 76 L C -1.196 175.648 176.870 -0.043 0.000 0.980 76 L CA -0.221 54.593 54.840 -0.043 0.000 0.836 76 L CB 1.497 43.531 42.059 -0.043 0.000 1.238 76 L HN 0.600 nan 8.230 nan 0.000 0.408 77 L N 5.848 127.062 121.223 -0.015 0.000 2.322 77 L HA 0.581 4.921 4.340 0.001 0.000 0.279 77 L C -0.375 176.464 176.870 -0.052 0.000 1.036 77 L CA -0.551 54.267 54.840 -0.036 0.000 0.807 77 L CB 2.057 44.099 42.059 -0.028 0.000 1.226 77 L HN 0.487 nan 8.230 nan 0.000 0.433 78 I N 1.801 122.306 120.570 -0.108 0.000 2.468 78 I HA 0.212 4.382 4.170 0.001 0.000 0.285 78 I C -0.401 175.604 176.117 -0.186 0.000 1.039 78 I CA -0.191 60.965 61.300 -0.240 0.000 1.074 78 I CB 2.113 39.981 38.000 -0.219 0.000 1.228 78 I HN 0.479 nan 8.210 nan 0.000 0.436 79 S N 4.546 120.119 115.700 -0.211 0.000 2.429 79 S HA 0.341 4.811 4.470 0.001 0.000 0.302 79 S C -0.853 173.664 174.600 -0.139 0.000 1.115 79 S CA -0.378 57.744 58.200 -0.130 0.000 1.095 79 S CB 0.608 63.753 63.200 -0.092 0.000 0.987 79 S HN 0.603 nan 8.310 nan 0.000 0.474 80 D N 5.446 125.786 120.400 -0.099 0.000 2.378 80 D HA 0.380 5.021 4.640 0.001 0.000 0.265 80 D C -2.166 174.087 176.300 -0.079 0.000 1.229 80 D CA -1.980 51.968 54.000 -0.087 0.000 0.914 80 D CB 1.718 42.474 40.800 -0.074 0.000 1.140 80 D HN 0.197 nan 8.370 nan 0.000 0.516 81 P HA -0.085 nan 4.420 nan 0.000 0.226 81 P C 1.155 178.385 177.300 -0.116 0.000 1.146 81 P CA 1.198 64.245 63.100 -0.087 0.000 0.773 81 P CB 0.277 31.939 31.700 -0.063 0.000 0.772 82 T N -7.309 107.186 114.554 -0.098 0.000 3.014 82 T HA 0.070 4.420 4.350 0.001 0.000 0.250 82 T C 0.949 175.585 174.700 -0.107 0.000 1.060 82 T CA 0.005 62.046 62.100 -0.098 0.000 1.040 82 T CB -1.004 67.828 68.868 -0.059 0.000 0.971 82 T HN -0.073 nan 8.240 nan 0.000 0.497 83 T N 2.103 116.600 114.554 -0.095 0.000 2.908 83 T HA 0.037 4.388 4.350 0.001 0.000 0.301 83 T C 0.669 175.335 174.700 -0.057 0.000 1.019 83 T CA -0.024 62.044 62.100 -0.053 0.000 1.152 83 T CB 0.161 69.018 68.868 -0.018 0.000 0.966 83 T HN 0.191 nan 8.240 nan 0.000 0.540 84 D N 3.678 124.099 120.400 0.035 0.000 2.249 84 D HA 0.083 4.724 4.640 0.001 0.000 0.205 84 D C 0.401 176.846 176.300 0.242 0.000 0.962 84 D CA 1.057 55.149 54.000 0.155 0.000 0.860 84 D CB 0.415 41.284 40.800 0.115 0.000 0.955 84 D HN 0.521 nan 8.370 nan 0.000 0.505 85 K N 0.281 120.771 120.400 0.150 0.000 2.324 85 K HA 0.440 4.760 4.320 0.001 0.000 0.253 85 K C -0.638 176.037 176.600 0.125 0.000 0.932 85 K CA -0.449 55.927 56.287 0.149 0.000 0.799 85 K CB 2.711 35.278 32.500 0.111 0.000 1.154 85 K HN -0.223 nan 8.250 nan 0.000 0.425 86 S N 0.460 116.248 115.700 0.147 0.000 2.687 86 S HA 0.554 5.025 4.470 0.001 0.000 0.283 86 S C -0.727 173.898 174.600 0.041 0.000 1.170 86 S CA -0.627 57.635 58.200 0.102 0.000 1.008 86 S CB 1.656 64.941 63.200 0.141 0.000 1.026 86 S HN 0.540 nan 8.310 nan 0.000 0.541 87 S N -0.311 115.337 115.700 -0.087 0.000 2.570 87 S HA 0.792 5.262 4.470 0.001 0.000 0.270 87 S C -1.771 172.510 174.600 -0.532 0.000 1.149 87 S CA -0.379 57.607 58.200 -0.356 0.000 0.837 87 S CB 1.335 64.410 63.200 -0.208 0.000 1.124 87 S HN 1.072 nan 8.310 nan 0.000 0.465 88 A N 1.284 123.463 122.820 -1.069 0.000 2.572 88 A HA 0.997 5.318 4.320 0.001 0.000 0.295 88 A C -0.880 176.303 177.584 -0.669 0.000 1.072 88 A CA -0.197 51.372 52.037 -0.780 0.000 0.691 88 A CB 1.419 20.015 19.000 -0.674 0.000 1.291 88 A HN 1.815 nan 8.150 nan 0.000 0.404 89 A N 0.606 123.260 122.820 -0.276 0.000 2.547 89 A HA 0.756 5.076 4.320 0.001 0.000 0.297 89 A C -1.651 176.018 177.584 0.141 0.000 1.056 89 A CA -0.289 51.770 52.037 0.037 0.000 0.688 89 A CB 1.251 20.297 19.000 0.076 0.000 1.282 89 A HN 1.809 nan 8.150 nan 0.000 0.400 90 L N 1.896 123.348 121.223 0.382 0.000 2.409 90 L HA 0.606 4.946 4.340 0.001 0.000 0.272 90 L C -1.542 175.438 176.870 0.183 0.000 0.980 90 L CA -0.441 54.491 54.840 0.153 0.000 0.826 90 L CB 1.703 43.741 42.059 -0.034 0.000 1.268 90 L HN 0.801 nan 8.230 nan 0.000 0.407 91 D N 4.462 124.914 120.400 0.086 0.000 2.425 91 D HA 0.308 4.948 4.640 0.001 0.000 0.240 91 D C -1.200 175.231 176.300 0.219 0.000 1.080 91 D CA -0.278 53.825 54.000 0.171 0.000 0.836 91 D CB 2.339 43.252 40.800 0.188 0.000 1.125 91 D HN 0.257 nan 8.370 nan 0.000 0.525 92 V N 4.530 124.502 119.914 0.097 0.000 2.383 92 V HA 0.097 4.218 4.120 0.001 0.000 0.275 92 V C 1.006 177.075 176.094 -0.042 0.000 1.036 92 V CA -0.571 61.691 62.300 -0.063 0.000 0.889 92 V CB 1.017 32.611 31.823 -0.382 0.000 0.985 92 V HN 0.604 nan 8.190 nan 0.000 0.459 93 H N 5.283 124.163 119.070 -0.317 0.000 3.663 93 H HA 0.283 4.839 4.556 0.001 0.000 0.250 93 H C -0.360 174.736 175.328 -0.386 0.000 1.363 93 H CA -0.273 55.433 56.048 -0.569 0.000 1.259 93 H CB -0.095 29.158 29.762 -0.849 0.000 1.435 93 H HN 0.353 nan 8.280 nan 0.000 0.692 94 I N 0.624 121.151 120.570 -0.071 0.000 2.619 94 I HA 0.367 4.538 4.170 0.001 0.000 0.292 94 I C 0.539 176.710 176.117 0.091 0.000 1.100 94 I CA -0.303 60.972 61.300 -0.042 0.000 1.043 94 I CB 1.894 39.833 38.000 -0.101 0.000 1.239 94 I HN 0.431 nan 8.210 nan 0.000 0.420 95 G N 2.225 111.097 108.800 0.119 0.000 2.870 95 G HA2 0.377 4.338 3.960 0.001 0.000 0.299 95 G HA3 0.377 4.338 3.960 0.001 0.000 0.299 95 G C 0.636 175.638 174.900 0.171 0.000 1.324 95 G CA 0.367 45.580 45.100 0.189 0.000 0.808 95 G HN 0.531 nan 8.290 nan 0.000 0.535 96 S N -0.777 115.004 115.700 0.135 0.000 2.420 96 S HA -0.136 4.335 4.470 0.001 0.000 0.237 96 S C 2.217 176.855 174.600 0.063 0.000 1.023 96 S CA 1.371 59.611 58.200 0.067 0.000 0.991 96 S CB -0.255 62.964 63.200 0.030 0.000 0.792 96 S HN 0.298 nan 8.310 nan 0.000 0.488 97 L N 1.782 123.055 121.223 0.083 0.000 2.349 97 L HA 0.105 4.445 4.340 0.001 0.000 0.220 97 L C 2.054 179.013 176.870 0.148 0.000 1.130 97 L CA 1.184 56.067 54.840 0.071 0.000 0.791 97 L CB -1.021 41.035 42.059 -0.004 0.000 0.918 97 L HN 0.349 nan 8.230 nan 0.000 0.444 98 S N -1.512 114.263 115.700 0.125 0.000 2.572 98 S HA 0.104 4.574 4.470 0.001 0.000 0.228 98 S C 0.207 174.903 174.600 0.159 0.000 0.963 98 S CA -0.559 57.692 58.200 0.086 0.000 0.939 98 S CB -0.145 62.934 63.200 -0.203 0.000 0.804 98 S HN 0.303 nan 8.310 nan 0.000 0.480 99 D N 4.132 124.600 120.400 0.113 0.000 2.443 99 D HA 0.141 4.781 4.640 0.001 0.000 0.239 99 D C -2.200 174.163 176.300 0.105 0.000 1.136 99 D CA -1.232 52.801 54.000 0.055 0.000 0.879 99 D CB 0.468 41.246 40.800 -0.036 0.000 1.195 99 D HN 0.135 nan 8.370 nan 0.000 0.443 100 P HA 0.075 nan 4.420 nan 0.000 0.271 100 P C -2.126 175.227 177.300 0.088 0.000 1.216 100 P CA -1.208 61.967 63.100 0.125 0.000 0.776 100 P CB 0.552 32.325 31.700 0.123 0.000 0.881 101 P HA -0.189 nan 4.420 nan 0.000 0.217 101 P C 0.938 178.298 177.300 0.100 0.000 1.148 101 P CA 1.788 64.949 63.100 0.101 0.000 0.834 101 P CB -0.380 31.380 31.700 0.101 0.000 0.783 102 N N -1.288 117.461 118.700 0.081 0.000 2.280 102 N HA 0.116 4.856 4.740 0.001 0.000 0.192 102 N C 0.160 175.697 175.510 0.044 0.000 1.109 102 N CA -0.017 53.075 53.050 0.071 0.000 0.855 102 N CB -0.010 38.510 38.487 0.055 0.000 0.974 102 N HN 0.100 nan 8.380 nan 0.000 0.482 103 I N 1.004 121.592 120.570 0.030 0.000 2.871 103 I HA 0.303 4.474 4.170 0.001 0.000 0.284 103 I C -0.324 175.762 176.117 -0.052 0.000 1.390 103 I CA -0.926 60.367 61.300 -0.013 0.000 0.958 103 I CB 1.041 39.031 38.000 -0.017 0.000 1.618 103 I HN 0.038 nan 8.210 nan 0.000 0.595 104 A N 2.294 125.082 122.820 -0.052 0.000 2.546 104 A HA 0.469 4.790 4.320 0.001 0.000 0.243 104 A C 1.420 178.840 177.584 -0.274 0.000 1.063 104 A CA 1.097 53.042 52.037 -0.154 0.000 0.757 104 A CB -0.099 18.801 19.000 -0.166 0.000 0.991 104 A HN 1.219 nan 8.150 nan 0.000 0.503 105 G N 1.072 109.685 108.800 -0.312 0.000 2.176 105 G HA2 -0.202 3.759 3.960 0.001 0.000 0.253 105 G HA3 -0.202 3.759 3.960 0.001 0.000 0.253 105 G C 0.726 175.534 174.900 -0.153 0.000 0.979 105 G CA 0.584 45.508 45.100 -0.293 0.000 0.641 105 G HN 1.367 nan 8.290 nan 0.000 0.530 106 L N 2.148 123.262 121.223 -0.182 0.000 2.042 106 L HA -0.003 4.338 4.340 0.001 0.000 0.210 106 L C 3.009 179.664 176.870 -0.359 0.000 1.076 106 L CA 3.451 58.157 54.840 -0.223 0.000 0.749 106 L CB -0.698 41.164 42.059 -0.328 0.000 0.893 106 L HN 0.816 nan 8.230 nan 0.000 0.432 107 S N -2.229 113.185 115.700 -0.477 0.000 2.402 107 S HA -0.280 4.190 4.470 0.001 0.000 0.229 107 S C 2.171 176.854 174.600 0.138 0.000 1.021 107 S CA 1.257 59.273 58.200 -0.307 0.000 0.974 107 S CB -1.048 62.143 63.200 -0.015 0.000 0.800 107 S HN 0.740 nan 8.310 nan 0.000 0.484 108 H N -0.690 118.402 119.070 0.037 0.000 2.395 108 H HA -0.046 4.511 4.556 0.001 0.000 0.299 108 H C 1.958 177.454 175.328 0.280 0.000 1.070 108 H CA 1.308 57.448 56.048 0.154 0.000 1.356 108 H CB -0.218 29.566 29.762 0.036 0.000 1.401 108 H HN 0.470 nan 8.280 nan 0.000 0.524 109 F N 1.365 121.251 119.950 -0.106 0.000 2.146 109 F HA -0.191 4.336 4.527 0.001 0.000 0.298 109 F C 2.800 178.635 175.800 0.059 0.000 1.096 109 F CA 1.013 58.920 58.000 -0.154 0.000 1.275 109 F CB -1.374 37.528 39.000 -0.163 0.000 1.008 109 F HN 0.310 nan 8.300 nan 0.000 0.480 110 C N 0.763 120.155 119.300 0.153 0.000 2.413 110 C HA -0.225 4.235 4.460 0.001 0.000 0.276 110 C C 2.894 178.086 174.990 0.336 0.000 1.248 110 C CA 1.780 60.935 59.018 0.229 0.000 1.742 110 C CB -1.419 26.480 27.740 0.266 0.000 2.017 110 C HN 0.649 nan 8.230 nan 0.000 0.481 111 Q N -0.694 119.367 119.800 0.434 0.000 2.061 111 Q HA -0.251 4.089 4.340 0.001 0.000 0.204 111 Q C 2.120 178.443 176.000 0.538 0.000 0.984 111 Q CA 1.995 58.132 55.803 0.555 0.000 0.846 111 Q CB -0.595 28.422 28.738 0.465 0.000 0.902 111 Q HN 0.811 nan 8.270 nan 0.000 0.421 112 H N -0.716 118.509 119.070 0.258 0.000 2.321 112 H HA -0.107 4.450 4.556 0.001 0.000 0.300 112 H C 2.203 177.639 175.328 0.181 0.000 1.087 112 H CA 1.457 57.640 56.048 0.225 0.000 1.319 112 H CB 0.137 29.986 29.762 0.145 0.000 1.379 112 H HN 0.330 nan 8.280 nan 0.000 0.501 113 M N 0.619 120.302 119.600 0.138 0.000 2.213 113 M HA -0.126 4.355 4.480 0.001 0.000 0.263 113 M C 2.398 178.460 176.300 -0.395 0.000 1.062 113 M CA 0.884 56.106 55.300 -0.130 0.000 1.105 113 M CB -0.898 31.596 32.600 -0.175 0.000 1.385 113 M HN 0.261 nan 8.290 nan 0.000 0.417 114 L N -1.463 119.507 121.223 -0.423 0.000 2.353 114 L HA -0.175 4.166 4.340 0.001 0.000 0.220 114 L C 1.820 177.812 176.870 -1.464 0.000 1.133 114 L CA 0.900 55.155 54.840 -0.974 0.000 0.798 114 L CB -0.725 40.800 42.059 -0.890 0.000 0.922 114 L HN 0.158 nan 8.230 nan 0.000 0.445 115 F N -0.512 118.984 119.950 -0.756 0.000 2.743 115 F HA 0.043 4.570 4.527 0.001 0.000 0.297 115 F C 1.624 177.214 175.800 -0.349 0.000 1.131 115 F CA 0.450 58.112 58.000 -0.563 0.000 1.426 115 F CB 0.021 38.970 39.000 -0.086 0.000 1.116 115 F HN -0.046 nan 8.300 nan 0.000 0.583 116 L N -0.072 121.033 121.223 -0.196 0.000 2.783 116 L HA 0.494 4.835 4.340 0.001 0.000 0.236 116 L C 0.383 177.148 176.870 -0.175 0.000 1.225 116 L CA -0.174 54.599 54.840 -0.112 0.000 1.026 116 L CB -0.727 41.297 42.059 -0.059 0.000 1.314 116 L HN 0.133 nan 8.230 nan 0.000 0.489 117 G N 0.208 108.849 108.800 -0.265 0.000 2.653 117 G HA2 0.128 4.089 3.960 0.001 0.000 0.656 117 G HA3 0.128 4.089 3.960 0.001 0.000 0.656 117 G C -0.597 174.129 174.900 -0.289 0.000 1.419 117 G CA -0.398 44.582 45.100 -0.200 0.000 0.862 117 G HN 0.084 nan 8.290 nan 0.000 0.639 118 T N -1.064 113.393 114.554 -0.163 0.000 2.901 118 T HA 0.677 5.027 4.350 0.001 0.000 0.293 118 T C 1.181 175.820 174.700 -0.102 0.000 1.084 118 T CA -0.169 61.829 62.100 -0.170 0.000 1.008 118 T CB 2.333 71.139 68.868 -0.103 0.000 1.170 118 T HN 0.636 nan 8.240 nan 0.000 0.509 119 K N 0.425 120.755 120.400 -0.117 0.000 2.074 119 K HA -0.120 4.201 4.320 0.001 0.000 0.209 119 K C 2.164 178.689 176.600 -0.125 0.000 1.048 119 K CA 1.631 57.856 56.287 -0.104 0.000 0.926 119 K CB -0.119 32.323 32.500 -0.097 0.000 0.713 119 K HN 0.662 nan 8.250 nan 0.000 0.444 120 K N -0.806 119.504 120.400 -0.150 0.000 2.155 120 K HA -0.097 4.224 4.320 0.001 0.000 0.203 120 K C -0.303 175.989 176.600 -0.514 0.000 1.052 120 K CA 0.984 57.075 56.287 -0.326 0.000 0.948 120 K CB 0.260 32.553 32.500 -0.345 0.000 0.728 120 K HN 0.104 nan 8.250 nan 0.000 0.448 121 Y N -0.180 120.079 120.300 -0.067 0.000 2.705 121 Y HA 0.265 4.815 4.550 0.001 0.000 0.355 121 Y C -2.173 173.697 175.900 -0.049 0.000 1.039 121 Y CA -2.257 55.816 58.100 -0.045 0.000 1.233 121 Y CB 1.697 40.139 38.460 -0.029 0.000 1.103 121 Y HN 0.077 nan 8.280 nan 0.000 0.624 122 P HA -0.206 nan 4.420 nan 0.000 0.216 122 P C 0.236 177.553 177.300 0.028 0.000 1.150 122 P CA 1.134 64.238 63.100 0.006 0.000 0.837 122 P CB 0.285 31.977 31.700 -0.013 0.000 0.786 123 K N 1.133 121.573 120.400 0.067 0.000 2.440 123 K HA -0.141 4.180 4.320 0.001 0.000 0.275 123 K C 1.452 178.093 176.600 0.068 0.000 1.082 123 K CA 0.374 56.704 56.287 0.073 0.000 1.135 123 K CB 0.128 32.690 32.500 0.103 0.000 0.864 123 K HN 0.259 nan 8.250 nan 0.000 0.479 124 E N 2.877 123.106 120.200 0.049 0.000 2.267 124 E HA -0.264 4.086 4.350 0.001 0.000 0.197 124 E C 0.402 177.058 176.600 0.093 0.000 0.998 124 E CA 1.875 58.301 56.400 0.043 0.000 0.830 124 E CB -0.260 29.460 29.700 0.033 0.000 0.751 124 E HN 0.810 nan 8.360 nan 0.000 0.491 125 N N -0.215 118.555 118.700 0.118 0.000 2.238 125 N HA 0.028 4.769 4.740 0.001 0.000 0.235 125 N C 1.167 176.776 175.510 0.166 0.000 1.209 125 N CA -0.053 53.094 53.050 0.160 0.000 0.879 125 N CB 0.511 39.088 38.487 0.150 0.000 1.136 125 N HN -0.056 nan 8.380 nan 0.000 0.517 126 E N 1.256 121.549 120.200 0.156 0.000 2.085 126 E HA -0.284 4.066 4.350 0.001 0.000 0.194 126 E C 1.341 178.037 176.600 0.159 0.000 0.994 126 E CA 1.531 58.019 56.400 0.146 0.000 0.801 126 E CB -0.381 29.404 29.700 0.142 0.000 0.743 126 E HN 0.630 nan 8.360 nan 0.000 0.453 127 Y N 0.766 121.101 120.300 0.058 0.000 2.089 127 Y HA -0.248 4.303 4.550 0.001 0.000 0.282 127 Y C 2.612 178.603 175.900 0.151 0.000 1.139 127 Y CA 2.669 60.814 58.100 0.076 0.000 1.123 127 Y CB -0.557 38.033 38.460 0.217 0.000 0.980 127 Y HN 0.239 nan 8.280 nan 0.000 0.493 128 S N -0.226 115.581 115.700 0.180 0.000 2.382 128 S HA -0.302 4.169 4.470 0.001 0.000 0.228 128 S C 2.006 176.616 174.600 0.017 0.000 1.027 128 S CA 1.457 59.683 58.200 0.043 0.000 0.991 128 S CB -0.780 62.499 63.200 0.132 0.000 0.823 128 S HN 0.717 nan 8.310 nan 0.000 0.469 129 Q N -0.009 119.839 119.800 0.079 0.000 2.084 129 Q HA -0.098 4.242 4.340 0.001 0.000 0.202 129 Q C 1.921 177.942 176.000 0.036 0.000 0.978 129 Q CA 1.504 57.345 55.803 0.063 0.000 0.844 129 Q CB -0.312 28.481 28.738 0.091 0.000 0.898 129 Q HN 0.642 nan 8.270 nan 0.000 0.426 130 F N 0.723 120.634 119.950 -0.066 0.000 2.095 130 F HA -0.233 4.294 4.527 0.001 0.000 0.298 130 F C 1.693 177.476 175.800 -0.029 0.000 1.104 130 F CA 1.492 59.459 58.000 -0.055 0.000 1.232 130 F CB -0.177 38.718 39.000 -0.174 0.000 0.987 130 F HN 0.059 nan 8.300 nan 0.000 0.475 131 L N -0.717 120.495 121.223 -0.019 0.000 2.042 131 L HA -0.256 4.084 4.340 0.001 0.000 0.210 131 L C 2.779 179.574 176.870 -0.126 0.000 1.076 131 L CA 1.618 56.392 54.840 -0.109 0.000 0.749 131 L CB -1.109 40.836 42.059 -0.190 0.000 0.893 131 L HN 0.236 nan 8.230 nan 0.000 0.432 132 S N -0.141 115.494 115.700 -0.107 0.000 2.370 132 S HA -0.216 4.254 4.470 0.001 0.000 0.226 132 S C 1.743 176.240 174.600 -0.171 0.000 1.033 132 S CA 1.532 59.678 58.200 -0.090 0.000 1.011 132 S CB -0.180 63.000 63.200 -0.033 0.000 0.852 132 S HN 0.473 nan 8.310 nan 0.000 0.457 133 E N -0.805 119.208 120.200 -0.312 0.000 2.478 133 E HA -0.057 4.293 4.350 0.001 0.000 0.198 133 E C 0.159 176.204 176.600 -0.925 0.000 1.046 133 E CA 0.619 56.640 56.400 -0.631 0.000 0.870 133 E CB -0.008 29.250 29.700 -0.738 0.000 0.818 133 E HN 0.695 nan 8.360 nan 0.000 0.527 134 H N -0.675 118.097 119.070 -0.496 0.000 2.505 134 H HA 0.426 4.982 4.556 0.001 0.000 0.260 134 H C 0.009 175.200 175.328 -0.228 0.000 1.168 134 H CA 0.231 55.995 56.048 -0.475 0.000 0.945 134 H CB 0.941 30.244 29.762 -0.765 0.000 1.800 134 H HN 0.128 nan 8.280 nan 0.000 0.586 135 A N 0.116 122.866 122.820 -0.116 0.000 2.832 135 A HA -0.146 4.174 4.320 0.001 0.000 0.280 135 A C 1.121 178.714 177.584 0.016 0.000 1.464 135 A CA 0.886 52.901 52.037 -0.036 0.000 0.804 135 A CB -1.752 17.241 19.000 -0.013 0.000 1.020 135 A HN 0.655 nan 8.150 nan 0.000 0.563 136 G N -1.613 107.192 108.800 0.008 0.000 2.601 136 G HA2 0.922 4.883 3.960 0.001 0.000 0.317 136 G HA3 0.922 4.883 3.960 0.001 0.000 0.317 136 G C -0.170 174.764 174.900 0.057 0.000 1.246 136 G CA 0.324 45.463 45.100 0.066 0.000 1.012 136 G HN 2.008 nan 8.290 nan 0.000 0.494 137 S N -2.034 113.737 115.700 0.118 0.000 2.570 137 S HA 0.803 5.273 4.470 0.001 0.000 0.270 137 S C -0.880 173.848 174.600 0.213 0.000 1.149 137 S CA -0.425 57.844 58.200 0.114 0.000 0.837 137 S CB 1.771 65.042 63.200 0.118 0.000 1.124 137 S HN 1.354 nan 8.310 nan 0.000 0.465 138 S N 0.887 116.712 115.700 0.209 0.000 2.596 138 S HA 0.825 5.295 4.470 0.001 0.000 0.270 138 S C -1.681 173.060 174.600 0.234 0.000 1.155 138 S CA -0.497 57.911 58.200 0.346 0.000 0.827 138 S CB 1.641 65.171 63.200 0.550 0.000 1.130 138 S HN 0.941 nan 8.310 nan 0.000 0.467 139 N N -0.067 118.703 118.700 0.116 0.000 3.339 139 N HA 0.781 5.521 4.740 0.001 0.000 0.275 139 N C -1.996 173.324 175.510 -0.317 0.000 1.514 139 N CA 0.243 53.260 53.050 -0.055 0.000 0.879 139 N CB 1.511 40.045 38.487 0.078 0.000 1.557 139 N HN 1.113 nan 8.380 nan 0.000 0.524 140 A N 0.034 122.794 122.820 -0.099 0.000 2.597 140 A HA 0.671 4.991 4.320 0.001 0.000 0.292 140 A C -1.926 175.777 177.584 0.198 0.000 1.057 140 A CA -0.645 51.347 52.037 -0.076 0.000 0.674 140 A CB 0.559 19.605 19.000 0.075 0.000 1.278 140 A HN 0.626 nan 8.150 nan 0.000 0.416 141 F N -1.176 118.853 119.950 0.132 0.000 2.643 141 F HA 0.912 5.440 4.527 0.001 0.000 0.314 141 F C -0.456 175.435 175.800 0.152 0.000 1.096 141 F CA -0.739 57.368 58.000 0.178 0.000 0.953 141 F CB 1.828 40.956 39.000 0.214 0.000 1.345 141 F HN 0.408 nan 8.300 nan 0.000 0.468 142 T N 1.562 116.383 114.554 0.446 0.000 2.841 142 T HA 0.587 4.938 4.350 0.001 0.000 0.285 142 T C -0.520 174.394 174.700 0.356 0.000 0.991 142 T CA -0.628 61.670 62.100 0.330 0.000 0.966 142 T CB 1.408 70.447 68.868 0.285 0.000 0.962 142 T HN 0.937 nan 8.240 nan 0.000 0.438 143 S N 1.834 117.759 115.700 0.375 0.000 2.795 143 S HA 0.734 5.204 4.470 0.001 0.000 0.308 143 S C 1.715 176.461 174.600 0.242 0.000 1.098 143 S CA -0.219 58.167 58.200 0.310 0.000 0.934 143 S CB 0.696 64.119 63.200 0.372 0.000 1.300 143 S HN 0.678 nan 8.310 nan 0.000 0.566 144 G N -0.301 108.632 108.800 0.222 0.000 2.422 144 G HA2 0.022 3.982 3.960 0.001 0.000 0.218 144 G HA3 0.022 3.982 3.960 0.001 0.000 0.218 144 G C 0.786 175.777 174.900 0.152 0.000 1.140 144 G CA 0.508 45.709 45.100 0.168 0.000 0.775 144 G HN 0.785 nan 8.290 nan 0.000 0.545 145 E N -0.835 119.469 120.200 0.172 0.000 2.630 145 E HA 0.181 4.532 4.350 0.001 0.000 0.218 145 E C -0.464 176.029 176.600 -0.177 0.000 0.977 145 E CA -0.236 56.204 56.400 0.067 0.000 1.038 145 E CB 0.679 30.445 29.700 0.110 0.000 1.051 145 E HN 0.394 nan 8.360 nan 0.000 0.487 146 H N -0.289 118.885 119.070 0.174 0.000 2.961 146 H HA 0.355 4.912 4.556 0.001 0.000 0.371 146 H C -0.815 174.564 175.328 0.084 0.000 1.190 146 H CA -0.504 55.602 56.048 0.096 0.000 1.138 146 H CB 2.409 32.221 29.762 0.085 0.000 1.816 146 H HN -0.154 nan 8.280 nan 0.000 0.551 147 T N 2.505 117.141 114.554 0.138 0.000 2.906 147 T HA 0.149 4.499 4.350 0.001 0.000 0.302 147 T C -0.171 174.453 174.700 -0.127 0.000 1.002 147 T CA -0.822 61.288 62.100 0.017 0.000 0.988 147 T CB 0.829 69.839 68.868 0.236 0.000 0.972 147 T HN 0.416 nan 8.240 nan 0.000 0.447 148 N N 2.980 121.369 118.700 -0.519 0.000 2.417 148 N HA 0.351 5.091 4.740 0.001 0.000 0.274 148 N C -1.545 173.809 175.510 -0.260 0.000 0.987 148 N CA -0.337 52.476 53.050 -0.395 0.000 0.912 148 N CB 1.021 38.995 38.487 -0.856 0.000 1.177 148 N HN 0.451 nan 8.380 nan 0.000 0.490 149 Y N 2.911 123.375 120.300 0.273 0.000 2.409 149 Y HA 0.467 5.017 4.550 0.001 0.000 0.339 149 Y C -0.303 175.919 175.900 0.537 0.000 1.033 149 Y CA -0.671 57.651 58.100 0.370 0.000 1.094 149 Y CB 1.275 40.033 38.460 0.497 0.000 1.210 149 Y HN 0.395 nan 8.280 nan 0.000 0.456 150 Y N 0.545 121.222 120.300 0.628 0.000 2.641 150 Y HA 0.765 5.316 4.550 0.001 0.000 0.333 150 Y C -1.645 174.471 175.900 0.359 0.000 1.174 150 Y CA -2.507 55.773 58.100 0.300 0.000 1.057 150 Y CB 1.300 39.855 38.460 0.158 0.000 1.322 150 Y HN 0.497 nan 8.280 nan 0.000 0.457 151 F N -0.373 119.729 119.950 0.253 0.000 2.713 151 F HA 0.845 5.373 4.527 0.001 0.000 0.311 151 F C -2.024 173.844 175.800 0.113 0.000 1.141 151 F CA -1.008 57.105 58.000 0.187 0.000 0.939 151 F CB 1.749 40.813 39.000 0.107 0.000 1.325 151 F HN 0.641 nan 8.300 nan 0.000 0.453 152 D N 0.640 121.247 120.400 0.344 0.000 2.559 152 D HA 0.775 5.416 4.640 0.001 0.000 0.250 152 D C -1.548 174.975 176.300 0.372 0.000 1.135 152 D CA -0.974 53.159 54.000 0.221 0.000 0.955 152 D CB 2.019 42.889 40.800 0.118 0.000 1.442 152 D HN 1.036 nan 8.370 nan 0.000 0.471 153 V N -0.926 119.156 119.914 0.281 0.000 3.279 153 V HA 0.449 4.569 4.120 0.001 0.000 0.281 153 V C -0.981 175.223 176.094 0.182 0.000 1.601 153 V CA -0.486 61.950 62.300 0.227 0.000 1.044 153 V CB 1.775 33.760 31.823 0.271 0.000 1.205 153 V HN 0.922 nan 8.190 nan 0.000 0.464 154 S N 1.724 117.510 115.700 0.144 0.000 2.593 154 S HA 0.004 4.474 4.470 0.001 0.000 0.300 154 S C 1.288 175.927 174.600 0.065 0.000 1.267 154 S CA 1.116 59.374 58.200 0.097 0.000 1.065 154 S CB 0.076 63.343 63.200 0.111 0.000 0.807 154 S HN 1.520 nan 8.310 nan 0.000 0.499 155 H N 2.694 121.820 119.070 0.093 0.000 2.492 155 H HA -0.049 4.507 4.556 0.001 0.000 0.296 155 H C 1.345 176.682 175.328 0.014 0.000 1.095 155 H CA 1.988 58.070 56.048 0.057 0.000 1.281 155 H CB -0.232 29.548 29.762 0.031 0.000 1.374 155 H HN 0.808 nan 8.280 nan 0.000 0.545 156 E N 0.174 120.082 120.200 -0.487 0.000 2.358 156 E HA -0.073 4.277 4.350 0.001 0.000 0.195 156 E C 0.505 176.779 176.600 -0.543 0.000 1.010 156 E CA 0.550 56.665 56.400 -0.476 0.000 0.856 156 E CB 0.163 29.485 29.700 -0.629 0.000 0.795 156 E HN 0.800 nan 8.360 nan 0.000 0.504 157 H N 0.040 119.094 119.070 -0.027 0.000 2.475 157 H HA 0.156 4.712 4.556 0.001 0.000 0.276 157 H C 1.482 176.861 175.328 0.084 0.000 1.126 157 H CA -0.143 55.913 56.048 0.014 0.000 1.023 157 H CB 0.506 30.206 29.762 -0.103 0.000 1.669 157 H HN 0.136 nan 8.280 nan 0.000 0.573 158 L N 0.662 121.973 121.223 0.147 0.000 2.012 158 L HA -0.213 4.128 4.340 0.001 0.000 0.210 158 L C 2.512 179.468 176.870 0.143 0.000 1.073 158 L CA 1.764 56.717 54.840 0.187 0.000 0.748 158 L CB 0.063 42.214 42.059 0.154 0.000 0.891 158 L HN 0.296 nan 8.230 nan 0.000 0.431 159 E N -0.508 119.745 120.200 0.089 0.000 2.058 159 E HA -0.211 4.140 4.350 0.001 0.000 0.194 159 E C 2.005 178.594 176.600 -0.018 0.000 0.997 159 E CA 1.495 57.927 56.400 0.053 0.000 0.801 159 E CB -0.382 29.342 29.700 0.040 0.000 0.746 159 E HN 0.549 nan 8.360 nan 0.000 0.450 160 G N 0.313 109.091 108.800 -0.037 0.000 2.418 160 G HA2 -0.270 3.690 3.960 0.001 0.000 0.217 160 G HA3 -0.270 3.690 3.960 0.001 0.000 0.217 160 G C 1.650 176.172 174.900 -0.630 0.000 1.158 160 G CA 0.982 45.915 45.100 -0.278 0.000 0.771 160 G HN 0.446 nan 8.290 nan 0.000 0.545 161 A N 0.331 122.922 122.820 -0.382 0.000 1.873 161 A HA 0.118 4.438 4.320 0.001 0.000 0.215 161 A C 2.334 179.636 177.584 -0.469 0.000 1.186 161 A CA 1.539 53.253 52.037 -0.539 0.000 0.616 161 A CB -0.501 18.236 19.000 -0.438 0.000 0.823 161 A HN 0.371 nan 8.150 nan 0.000 0.442 162 L N 0.346 121.491 121.223 -0.130 0.000 2.131 162 L HA -0.158 4.183 4.340 0.001 0.000 0.210 162 L C 1.941 178.852 176.870 0.068 0.000 1.092 162 L CA 2.540 57.466 54.840 0.142 0.000 0.759 162 L CB -0.618 41.615 42.059 0.291 0.000 0.903 162 L HN 0.526 nan 8.230 nan 0.000 0.435 163 D N -0.595 119.764 120.400 -0.068 0.000 2.084 163 D HA -0.204 4.436 4.640 0.001 0.000 0.194 163 D C 2.278 178.514 176.300 -0.106 0.000 0.990 163 D CA 1.519 55.475 54.000 -0.073 0.000 0.826 163 D CB 0.003 40.771 40.800 -0.053 0.000 0.971 163 D HN 0.254 nan 8.370 nan 0.000 0.453 164 R N -0.986 119.331 120.500 -0.306 0.000 2.105 164 R HA -0.109 4.232 4.340 0.001 0.000 0.239 164 R C 2.401 178.531 176.300 -0.284 0.000 1.135 164 R CA 1.145 56.994 56.100 -0.419 0.000 0.967 164 R CB -0.552 29.349 30.300 -0.666 0.000 0.861 164 R HN 0.292 nan 8.270 nan 0.000 0.442 165 F N 1.231 120.897 119.950 -0.473 0.000 2.113 165 F HA -0.127 4.400 4.527 0.001 0.000 0.297 165 F C 2.335 177.816 175.800 -0.533 0.000 1.103 165 F CA 1.395 58.934 58.000 -0.770 0.000 1.248 165 F CB -0.222 38.636 39.000 -0.236 0.000 0.999 165 F HN -0.014 nan 8.300 nan 0.000 0.475 166 A N -0.105 122.647 122.820 -0.115 0.000 2.024 166 A HA -0.218 4.102 4.320 0.001 0.000 0.220 166 A C 1.989 179.459 177.584 -0.190 0.000 1.164 166 A CA 1.512 53.410 52.037 -0.232 0.000 0.643 166 A CB -0.656 17.962 19.000 -0.636 0.000 0.806 166 A HN 0.511 nan 8.150 nan 0.000 0.451 167 Q N -1.002 118.690 119.800 -0.179 0.000 2.291 167 Q HA -0.106 4.235 4.340 0.001 0.000 0.206 167 Q C 1.545 177.449 176.000 -0.159 0.000 0.976 167 Q CA 0.824 56.570 55.803 -0.095 0.000 0.875 167 Q CB -0.607 28.147 28.738 0.026 0.000 0.927 167 Q HN 0.702 nan 8.270 nan 0.000 0.450 168 F N -0.254 119.233 119.950 -0.772 0.000 2.202 168 F HA -0.141 4.386 4.527 0.001 0.000 0.301 168 F C 1.395 176.615 175.800 -0.967 0.000 1.082 168 F CA 0.557 57.867 58.000 -1.150 0.000 1.313 168 F CB -0.552 37.272 39.000 -1.960 0.000 1.024 168 F HN 0.034 nan 8.300 nan 0.000 0.495 169 F N -1.628 118.337 119.950 0.024 0.000 2.639 169 F HA 0.265 4.792 4.527 0.001 0.000 0.302 169 F C 1.442 177.324 175.800 0.136 0.000 1.097 169 F CA 0.107 58.202 58.000 0.159 0.000 1.294 169 F CB -0.469 38.584 39.000 0.089 0.000 1.027 169 F HN -0.152 nan 8.300 nan 0.000 0.550 170 L N -1.190 120.102 121.223 0.115 0.000 2.641 170 L HA 0.177 4.518 4.340 0.001 0.000 0.207 170 L C 0.460 177.336 176.870 0.009 0.000 1.049 170 L CA 0.201 55.084 54.840 0.072 0.000 0.866 170 L CB 0.797 42.860 42.059 0.006 0.000 1.264 170 L HN 0.231 nan 8.230 nan 0.000 0.483 171 C N -1.554 117.699 119.300 -0.079 0.000 3.421 171 C HA 0.479 4.940 4.460 0.001 0.000 0.194 171 C C -2.737 172.113 174.990 -0.233 0.000 1.418 171 C CA -2.052 56.891 59.018 -0.124 0.000 1.226 171 C CB -0.820 26.865 27.740 -0.092 0.000 1.875 171 C HN -0.062 nan 8.230 nan 0.000 0.561 172 P HA 0.185 nan 4.420 nan 0.000 0.269 172 P C 0.894 177.920 177.300 -0.457 0.000 1.209 172 P CA 0.108 62.827 63.100 -0.636 0.000 0.776 172 P CB 0.840 31.875 31.700 -1.108 0.000 0.876 173 L N 2.001 122.951 121.223 -0.456 0.000 2.168 173 L HA 0.123 4.464 4.340 0.001 0.000 0.203 173 L C 0.629 177.425 176.870 -0.122 0.000 1.078 173 L CA 0.469 55.168 54.840 -0.236 0.000 0.780 173 L CB -0.457 41.489 42.059 -0.189 0.000 0.939 173 L HN 0.376 nan 8.230 nan 0.000 0.451 174 F N 0.834 120.644 119.950 -0.233 0.000 3.027 174 F HA -0.259 4.269 4.527 0.001 0.000 0.276 174 F C 0.567 176.270 175.800 -0.163 0.000 0.967 174 F CA 0.076 57.940 58.000 -0.227 0.000 0.929 174 F CB -1.750 37.107 39.000 -0.238 0.000 0.873 174 F HN 0.239 nan 8.300 nan 0.000 0.787 175 D N 0.788 121.170 120.400 -0.030 0.000 2.533 175 D HA 0.019 4.659 4.640 0.001 0.000 0.236 175 D C 1.270 177.571 176.300 0.001 0.000 1.137 175 D CA 0.522 54.511 54.000 -0.019 0.000 0.867 175 D CB 0.918 41.696 40.800 -0.037 0.000 1.170 175 D HN 0.372 nan 8.370 nan 0.000 0.474 176 E N 2.227 122.430 120.200 0.005 0.000 2.070 176 E HA -0.244 4.107 4.350 0.001 0.000 0.197 176 E C 1.738 178.351 176.600 0.020 0.000 1.004 176 E CA 1.818 58.225 56.400 0.012 0.000 0.805 176 E CB -0.370 29.334 29.700 0.007 0.000 0.744 176 E HN 0.411 nan 8.360 nan 0.000 0.451 177 S N -1.265 114.444 115.700 0.015 0.000 2.368 177 S HA -0.167 4.303 4.470 0.001 0.000 0.225 177 S C 2.183 176.801 174.600 0.030 0.000 1.030 177 S CA 1.397 59.609 58.200 0.021 0.000 0.999 177 S CB -0.753 62.456 63.200 0.014 0.000 0.844 177 S HN 0.561 nan 8.310 nan 0.000 0.459 178 C N 1.538 120.851 119.300 0.021 0.000 2.429 178 C HA 0.019 4.479 4.460 0.001 0.000 0.277 178 C C 2.697 177.723 174.990 0.061 0.000 1.262 178 C CA 1.116 60.152 59.018 0.029 0.000 1.733 178 C CB -1.172 26.567 27.740 -0.002 0.000 2.010 178 C HN 0.713 nan 8.230 nan 0.000 0.483 179 K N 0.949 121.380 120.400 0.052 0.000 2.009 179 K HA -0.201 4.120 4.320 0.001 0.000 0.210 179 K C 1.462 178.190 176.600 0.212 0.000 1.049 179 K CA 2.003 58.355 56.287 0.108 0.000 0.929 179 K CB -0.292 32.240 32.500 0.054 0.000 0.714 179 K HN 0.428 nan 8.250 nan 0.000 0.440 180 D N -0.002 120.470 120.400 0.121 0.000 2.264 180 D HA -0.111 4.529 4.640 0.001 0.000 0.208 180 D C 1.999 178.346 176.300 0.079 0.000 0.966 180 D CA 0.906 54.962 54.000 0.094 0.000 0.864 180 D CB 0.074 40.906 40.800 0.054 0.000 0.933 180 D HN 0.285 nan 8.370 nan 0.000 0.499 181 R N 0.198 120.747 120.500 0.082 0.000 2.064 181 R HA -0.026 4.314 4.340 0.001 0.000 0.221 181 R C 2.060 178.409 176.300 0.082 0.000 1.136 181 R CA 0.521 56.658 56.100 0.062 0.000 0.980 181 R CB -0.063 30.266 30.300 0.047 0.000 0.876 181 R HN -0.062 nan 8.270 nan 0.000 0.437 182 E N 0.900 121.183 120.200 0.140 0.000 2.267 182 E HA -0.137 4.213 4.350 0.001 0.000 0.197 182 E C 1.663 178.354 176.600 0.152 0.000 0.998 182 E CA 0.557 57.073 56.400 0.193 0.000 0.830 182 E CB -0.160 29.709 29.700 0.282 0.000 0.751 182 E HN 0.097 nan 8.360 nan 0.000 0.491 183 V N 0.375 120.351 119.914 0.102 0.000 2.594 183 V HA -0.283 3.837 4.120 0.001 0.000 0.253 183 V C 1.189 177.179 176.094 -0.174 0.000 1.069 183 V CA 2.323 64.476 62.300 -0.245 0.000 1.082 183 V CB -0.468 31.210 31.823 -0.241 0.000 0.680 183 V HN 0.339 nan 8.190 nan 0.000 0.469 184 N N 0.630 119.297 118.700 -0.054 0.000 2.188 184 N HA -0.022 4.719 4.740 0.001 0.000 0.184 184 N C 1.915 177.417 175.510 -0.012 0.000 1.018 184 N CA 1.363 54.394 53.050 -0.031 0.000 0.858 184 N CB -0.432 38.053 38.487 -0.002 0.000 0.989 184 N HN 0.563 nan 8.380 nan 0.000 0.426 185 A N 0.435 123.267 122.820 0.020 0.000 1.902 185 A HA -0.081 4.239 4.320 0.001 0.000 0.217 185 A C 2.275 179.892 177.584 0.055 0.000 1.181 185 A CA 1.152 53.258 52.037 0.115 0.000 0.623 185 A CB -0.729 18.400 19.000 0.214 0.000 0.818 185 A HN 0.108 nan 8.150 nan 0.000 0.443 186 V N 0.293 120.105 119.914 -0.171 0.000 2.358 186 V HA -0.243 3.877 4.120 0.001 0.000 0.246 186 V C 2.297 178.295 176.094 -0.160 0.000 1.047 186 V CA 2.405 64.524 62.300 -0.302 0.000 1.035 186 V CB -0.835 30.659 31.823 -0.548 0.000 0.658 186 V HN 0.693 nan 8.190 nan 0.000 0.452 187 D N -0.246 120.079 120.400 -0.125 0.000 2.117 187 D HA -0.195 4.445 4.640 0.001 0.000 0.197 187 D C 2.380 178.676 176.300 -0.007 0.000 0.987 187 D CA 1.603 55.581 54.000 -0.036 0.000 0.829 187 D CB -0.122 40.659 40.800 -0.031 0.000 0.961 187 D HN 0.316 nan 8.370 nan 0.000 0.460 188 S N -0.680 115.013 115.700 -0.012 0.000 2.382 188 S HA -0.206 4.265 4.470 0.001 0.000 0.228 188 S C 1.868 176.424 174.600 -0.073 0.000 1.027 188 S CA 1.502 59.704 58.200 0.003 0.000 0.991 188 S CB -0.416 62.829 63.200 0.074 0.000 0.823 188 S HN 0.388 nan 8.310 nan 0.000 0.469 189 E N -0.652 119.435 120.200 -0.187 0.000 2.072 189 E HA -0.247 4.103 4.350 0.001 0.000 0.191 189 E C 1.963 178.358 176.600 -0.343 0.000 0.985 189 E CA 1.406 57.487 56.400 -0.533 0.000 0.801 189 E CB -0.294 28.984 29.700 -0.704 0.000 0.750 189 E HN 0.766 nan 8.360 nan 0.000 0.452 190 H N 0.436 119.342 119.070 -0.273 0.000 2.363 190 H HA -0.075 4.481 4.556 0.001 0.000 0.301 190 H C 1.928 177.144 175.328 -0.187 0.000 1.074 190 H CA 1.943 57.854 56.048 -0.228 0.000 1.354 190 H CB -0.090 29.620 29.762 -0.087 0.000 1.397 190 H HN 0.106 nan 8.280 nan 0.000 0.516 191 E N 1.069 121.113 120.200 -0.260 0.000 2.097 191 E HA -0.229 4.122 4.350 0.001 0.000 0.196 191 E C 2.065 178.555 176.600 -0.184 0.000 1.000 191 E CA 2.169 58.424 56.400 -0.241 0.000 0.804 191 E CB -0.239 29.409 29.700 -0.086 0.000 0.740 191 E HN 0.768 nan 8.360 nan 0.000 0.454 192 K N -0.738 119.575 120.400 -0.146 0.000 2.365 192 K HA -0.009 4.312 4.320 0.001 0.000 0.199 192 K C 1.284 177.840 176.600 -0.072 0.000 1.045 192 K CA 1.277 57.526 56.287 -0.063 0.000 0.962 192 K CB 0.031 32.495 32.500 -0.060 0.000 0.759 192 K HN -0.011 nan 8.250 nan 0.000 0.469 193 N N 0.812 119.371 118.700 -0.234 0.000 2.405 193 N HA -0.017 4.724 4.740 0.001 0.000 0.175 193 N C 1.664 177.208 175.510 0.057 0.000 1.051 193 N CA 0.532 53.450 53.050 -0.220 0.000 0.899 193 N CB 0.069 38.175 38.487 -0.634 0.000 1.000 193 N HN -0.011 nan 8.380 nan 0.000 0.451 194 V N 1.396 121.222 119.914 -0.148 0.000 2.278 194 V HA -0.209 3.911 4.120 0.001 0.000 0.251 194 V C 1.800 177.976 176.094 0.136 0.000 1.062 194 V CA 1.407 63.670 62.300 -0.062 0.000 1.038 194 V CB -0.303 31.361 31.823 -0.264 0.000 0.646 194 V HN 0.321 nan 8.190 nan 0.000 0.447 195 M N 0.003 119.616 119.600 0.022 0.000 2.530 195 M HA 0.198 4.678 4.480 0.001 0.000 0.231 195 M C 0.533 176.858 176.300 0.042 0.000 1.180 195 M CA 0.047 55.306 55.300 -0.068 0.000 0.985 195 M CB -1.407 30.916 32.600 -0.461 0.000 1.623 195 M HN 0.416 nan 8.290 nan 0.000 0.475 196 N N 1.082 119.886 118.700 0.173 0.000 2.419 196 N HA 0.065 4.806 4.740 0.001 0.000 0.264 196 N C 0.560 176.176 175.510 0.177 0.000 1.031 196 N CA -0.134 53.048 53.050 0.220 0.000 0.951 196 N CB 1.292 39.988 38.487 0.348 0.000 1.101 196 N HN -0.009 nan 8.380 nan 0.000 0.488 197 D N 2.866 123.332 120.400 0.110 0.000 2.123 197 D HA -0.181 4.460 4.640 0.001 0.000 0.196 197 D C 1.620 177.928 176.300 0.013 0.000 0.992 197 D CA 1.189 55.223 54.000 0.057 0.000 0.833 197 D CB -0.162 40.672 40.800 0.056 0.000 0.954 197 D HN 0.704 nan 8.370 nan 0.000 0.455 198 A N 0.357 123.185 122.820 0.014 0.000 1.877 198 A HA -0.171 4.149 4.320 0.001 0.000 0.216 198 A C 2.113 179.586 177.584 -0.186 0.000 1.186 198 A CA 1.187 53.155 52.037 -0.115 0.000 0.620 198 A CB -1.181 17.715 19.000 -0.173 0.000 0.822 198 A HN 0.271 nan 8.150 nan 0.000 0.443 199 W N -0.246 120.993 121.300 -0.101 0.000 2.388 199 W HA -0.046 4.615 4.660 0.001 0.000 0.294 199 W C 2.599 178.841 176.519 -0.460 0.000 1.212 199 W CA 1.348 58.601 57.345 -0.152 0.000 1.271 199 W CB -0.176 29.286 29.460 0.003 0.000 1.126 199 W HN 0.245 nan 8.180 nan 0.000 0.535 200 R N -0.532 119.809 120.500 -0.264 0.000 2.073 200 R HA -0.179 4.162 4.340 0.001 0.000 0.234 200 R C 2.004 178.116 176.300 -0.313 0.000 1.134 200 R CA 1.300 57.134 56.100 -0.443 0.000 0.952 200 R CB -1.018 29.202 30.300 -0.132 0.000 0.850 200 R HN 0.102 nan 8.270 nan 0.000 0.433 201 L N -0.096 120.994 121.223 -0.221 0.000 2.093 201 L HA -0.125 4.215 4.340 0.001 0.000 0.208 201 L C 2.066 178.778 176.870 -0.263 0.000 1.085 201 L CA 1.429 56.108 54.840 -0.269 0.000 0.755 201 L CB -0.961 40.901 42.059 -0.329 0.000 0.904 201 L HN 0.099 nan 8.230 nan 0.000 0.435 202 F N 0.396 120.129 119.950 -0.362 0.000 2.065 202 F HA -0.342 4.186 4.527 0.001 0.000 0.298 202 F C 2.705 178.342 175.800 -0.272 0.000 1.112 202 F CA 1.972 59.774 58.000 -0.329 0.000 1.212 202 F CB -0.011 38.767 39.000 -0.369 0.000 0.975 202 F HN 0.121 nan 8.300 nan 0.000 0.476 203 Q N 0.346 119.992 119.800 -0.257 0.000 2.172 203 Q HA -0.116 4.225 4.340 0.001 0.000 0.200 203 Q C 1.932 177.777 176.000 -0.259 0.000 0.964 203 Q CA 1.375 57.029 55.803 -0.247 0.000 0.855 203 Q CB -0.494 28.283 28.738 0.066 0.000 0.918 203 Q HN 0.549 nan 8.270 nan 0.000 0.444 204 L N 0.643 121.690 121.223 -0.294 0.000 2.046 204 L HA -0.129 4.211 4.340 0.001 0.000 0.208 204 L C 2.062 178.706 176.870 -0.378 0.000 1.077 204 L CA 2.122 56.751 54.840 -0.352 0.000 0.747 204 L CB -0.611 41.191 42.059 -0.429 0.000 0.896 204 L HN 0.371 nan 8.230 nan 0.000 0.432 205 E N -0.592 119.388 120.200 -0.366 0.000 2.110 205 E HA -0.262 4.088 4.350 0.001 0.000 0.193 205 E C 2.093 178.636 176.600 -0.095 0.000 0.988 205 E CA 1.322 57.572 56.400 -0.250 0.000 0.804 205 E CB 0.015 29.594 29.700 -0.203 0.000 0.745 205 E HN 0.531 nan 8.360 nan 0.000 0.458 206 K N -0.118 120.072 120.400 -0.349 0.000 2.057 206 K HA -0.071 4.249 4.320 0.001 0.000 0.206 206 K C 2.042 178.557 176.600 -0.142 0.000 1.050 206 K CA 1.035 57.045 56.287 -0.462 0.000 0.935 206 K CB -0.060 31.979 32.500 -0.769 0.000 0.715 206 K HN 0.085 nan 8.250 nan 0.000 0.439 207 A N 1.174 123.926 122.820 -0.114 0.000 2.168 207 A HA -0.073 4.247 4.320 0.001 0.000 0.215 207 A C 1.836 179.431 177.584 0.018 0.000 1.152 207 A CA 1.505 53.535 52.037 -0.012 0.000 0.716 207 A CB -0.520 18.479 19.000 -0.002 0.000 0.794 207 A HN 0.425 nan 8.150 nan 0.000 0.465 208 T N -3.761 110.777 114.554 -0.028 0.000 3.105 208 T HA 0.451 4.801 4.350 0.001 0.000 0.253 208 T C 0.858 175.629 174.700 0.118 0.000 1.047 208 T CA 0.321 62.441 62.100 0.033 0.000 0.944 208 T CB 0.325 69.051 68.868 -0.238 0.000 1.016 208 T HN 0.322 nan 8.240 nan 0.000 0.544 209 G N 1.283 110.164 108.800 0.135 0.000 2.671 209 G HA2 0.409 4.369 3.960 0.001 0.000 0.275 209 G HA3 0.409 4.369 3.960 0.001 0.000 0.275 209 G C -0.535 174.208 174.900 -0.263 0.000 1.368 209 G CA -0.981 44.114 45.100 -0.009 0.000 1.044 209 G HN 0.270 nan 8.290 nan 0.000 0.543 210 N N 0.595 119.075 118.700 -0.366 0.000 2.414 210 N HA 0.099 4.840 4.740 0.001 0.000 0.268 210 N C -1.470 174.115 175.510 0.125 0.000 1.286 210 N CA -1.423 51.643 53.050 0.026 0.000 0.896 210 N CB 1.382 39.960 38.487 0.151 0.000 1.093 210 N HN -0.075 nan 8.380 nan 0.000 0.480 211 P HA -0.085 nan 4.420 nan 0.000 0.222 211 P C 0.464 177.854 177.300 0.149 0.000 1.147 211 P CA 1.293 64.482 63.100 0.148 0.000 0.790 211 P CB 0.288 32.076 31.700 0.145 0.000 0.780 212 K N -2.306 118.188 120.400 0.157 0.000 2.400 212 K HA -0.014 4.306 4.320 0.001 0.000 0.194 212 K C 0.759 177.443 176.600 0.140 0.000 1.033 212 K CA 0.139 56.507 56.287 0.135 0.000 1.021 212 K CB -0.131 32.440 32.500 0.119 0.000 0.808 212 K HN 0.302 nan 8.250 nan 0.000 0.505 213 H N 2.527 121.641 119.070 0.072 0.000 2.646 213 H HA 0.070 4.626 4.556 0.001 0.000 0.325 213 H C -1.822 173.547 175.328 0.069 0.000 1.075 213 H CA -1.990 54.091 56.048 0.055 0.000 1.421 213 H CB 1.575 31.321 29.762 -0.028 0.000 1.461 213 H HN -0.129 nan 8.280 nan 0.000 0.525 214 P HA -0.187 nan 4.420 nan 0.000 0.224 214 P C 1.477 178.897 177.300 0.200 0.000 1.142 214 P CA 0.849 64.050 63.100 0.169 0.000 0.778 214 P CB -0.256 31.527 31.700 0.138 0.000 0.764 215 F N 2.149 122.212 119.950 0.187 0.000 2.333 215 F HA -0.168 4.360 4.527 0.001 0.000 0.300 215 F C 2.142 177.903 175.800 -0.064 0.000 1.083 215 F CA 1.478 59.448 58.000 -0.050 0.000 1.395 215 F CB -0.187 38.578 39.000 -0.392 0.000 1.056 215 F HN -0.020 nan 8.300 nan 0.000 0.529 216 S N -0.510 115.191 115.700 0.001 0.000 2.561 216 S HA -0.001 4.469 4.470 0.001 0.000 0.225 216 S C 0.711 175.309 174.600 -0.002 0.000 0.977 216 S CA -0.255 57.919 58.200 -0.043 0.000 0.926 216 S CB -0.588 62.662 63.200 0.084 0.000 0.769 216 S HN 0.269 nan 8.310 nan 0.000 0.533 217 K N 1.130 121.529 120.400 -0.002 0.000 2.319 217 K HA 0.196 4.517 4.320 0.001 0.000 0.265 217 K C -0.645 175.956 176.600 0.002 0.000 1.000 217 K CA -0.447 55.861 56.287 0.035 0.000 0.943 217 K CB 0.244 32.757 32.500 0.022 0.000 0.950 217 K HN 0.282 nan 8.250 nan 0.000 0.485 218 F N 1.771 121.562 119.950 -0.264 0.000 2.390 218 F HA 0.293 4.820 4.527 0.001 0.000 0.361 218 F C 0.893 176.497 175.800 -0.326 0.000 1.124 218 F CA -1.034 56.672 58.000 -0.490 0.000 1.149 218 F CB 0.554 38.722 39.000 -1.387 0.000 1.160 218 F HN 0.620 nan 8.300 nan 0.000 0.501 219 G N 3.124 111.701 108.800 -0.372 0.000 2.603 219 G HA2 -0.101 3.859 3.960 0.001 0.000 0.214 219 G HA3 -0.101 3.859 3.960 0.001 0.000 0.214 219 G C 1.215 175.773 174.900 -0.570 0.000 1.140 219 G CA 0.776 45.657 45.100 -0.366 0.000 0.800 219 G HN 0.657 nan 8.290 nan 0.000 0.533 220 T N 0.510 114.500 114.554 -0.941 0.000 2.812 220 T HA 0.350 4.700 4.350 0.001 0.000 0.264 220 T C 1.450 175.696 174.700 -0.756 0.000 1.042 220 T CA 1.103 62.758 62.100 -0.740 0.000 1.140 220 T CB -0.418 68.129 68.868 -0.534 0.000 0.870 220 T HN 1.094 nan 8.240 nan 0.000 0.445 221 G N 2.486 110.386 108.800 -1.500 0.000 2.814 221 G HA2 0.019 3.979 3.960 0.001 0.000 0.677 221 G HA3 0.019 3.979 3.960 0.001 0.000 0.677 221 G C -0.680 173.984 174.900 -0.393 0.000 1.429 221 G CA -0.383 44.249 45.100 -0.780 0.000 0.868 221 G HN 0.892 nan 8.290 nan 0.000 0.553 222 N N -1.780 116.812 118.700 -0.179 0.000 3.277 222 N HA 0.445 5.185 4.740 0.001 0.000 0.278 222 N C 0.736 176.198 175.510 -0.081 0.000 1.544 222 N CA -0.154 52.853 53.050 -0.072 0.000 0.869 222 N CB 0.653 39.192 38.487 0.087 0.000 1.584 222 N HN 0.713 nan 8.380 nan 0.000 0.564 223 K N -1.375 119.009 120.400 -0.026 0.000 2.147 223 K HA -0.139 4.182 4.320 0.001 0.000 0.205 223 K C 1.308 177.920 176.600 0.020 0.000 1.049 223 K CA 1.194 57.458 56.287 -0.039 0.000 0.936 223 K CB -0.338 32.161 32.500 -0.002 0.000 0.722 223 K HN 0.498 nan 8.250 nan 0.000 0.446 224 Y N 1.011 121.313 120.300 0.004 0.000 2.163 224 Y HA -0.206 4.344 4.550 0.001 0.000 0.288 224 Y C 2.408 178.336 175.900 0.046 0.000 1.136 224 Y CA 2.212 60.336 58.100 0.041 0.000 1.147 224 Y CB -0.621 37.897 38.460 0.095 0.000 0.987 224 Y HN 0.205 nan 8.280 nan 0.000 0.509 225 T N -2.292 112.285 114.554 0.039 0.000 3.023 225 T HA -0.061 4.289 4.350 0.001 0.000 0.266 225 T C 1.381 175.994 174.700 -0.144 0.000 1.093 225 T CA 1.154 63.222 62.100 -0.053 0.000 1.129 225 T CB -0.336 68.564 68.868 0.054 0.000 0.899 225 T HN 0.206 nan 8.240 nan 0.000 0.491 226 L N 0.049 121.163 121.223 -0.181 0.000 2.616 226 L HA 0.523 4.864 4.340 0.001 0.000 0.229 226 L C 1.960 178.737 176.870 -0.154 0.000 1.110 226 L CA 0.651 55.357 54.840 -0.223 0.000 0.884 226 L CB 0.013 41.775 42.059 -0.494 0.000 1.115 226 L HN 0.485 nan 8.230 nan 0.000 0.481 227 E N -2.121 117.993 120.200 -0.144 0.000 3.823 227 E HA -0.036 4.314 4.350 0.001 0.000 0.225 227 E C 1.537 178.074 176.600 -0.104 0.000 1.257 227 E CA 0.778 57.122 56.400 -0.092 0.000 1.684 227 E CB 0.264 29.922 29.700 -0.070 0.000 1.550 227 E HN 0.129 nan 8.360 nan 0.000 0.709 228 T N 1.615 116.098 114.554 -0.120 0.000 2.622 228 T HA -0.198 4.153 4.350 0.001 0.000 0.266 228 T C 1.885 176.456 174.700 -0.215 0.000 1.047 228 T CA 1.916 63.947 62.100 -0.116 0.000 1.159 228 T CB -0.343 68.514 68.868 -0.019 0.000 0.863 228 T HN -0.011 nan 8.240 nan 0.000 0.422 229 R N 1.769 121.978 120.500 -0.485 0.000 2.081 229 R HA -0.017 4.323 4.340 0.001 0.000 0.235 229 R C -0.910 175.269 176.300 -0.203 0.000 1.131 229 R CA 1.338 57.172 56.100 -0.444 0.000 0.960 229 R CB -1.463 28.398 30.300 -0.733 0.000 0.856 229 R HN 0.324 nan 8.270 nan 0.000 0.436 230 P HA -0.060 nan 4.420 nan 0.000 0.215 230 P C 0.324 177.589 177.300 -0.059 0.000 1.153 230 P CA 1.697 64.745 63.100 -0.087 0.000 0.853 230 P CB -0.157 31.502 31.700 -0.069 0.000 0.788 231 N N -0.739 117.926 118.700 -0.059 0.000 2.104 231 N HA -0.232 4.508 4.740 0.001 0.000 0.190 231 N C 1.958 177.451 175.510 -0.028 0.000 1.024 231 N CA 0.757 53.786 53.050 -0.034 0.000 0.853 231 N CB -0.339 38.131 38.487 -0.029 0.000 1.008 231 N HN 0.255 nan 8.380 nan 0.000 0.424 232 Q N 1.295 121.073 119.800 -0.037 0.000 2.170 232 Q HA -0.147 4.193 4.340 0.001 0.000 0.203 232 Q C 0.832 176.823 176.000 -0.014 0.000 0.976 232 Q CA 1.279 57.070 55.803 -0.020 0.000 0.858 232 Q CB 0.163 28.891 28.738 -0.017 0.000 0.907 232 Q HN 0.428 nan 8.270 nan 0.000 0.433 233 E N -0.924 119.262 120.200 -0.023 0.000 2.489 233 E HA 0.106 4.456 4.350 0.001 0.000 0.193 233 E C 0.436 177.031 176.600 -0.008 0.000 1.057 233 E CA 0.257 56.650 56.400 -0.012 0.000 0.866 233 E CB 0.390 30.082 29.700 -0.013 0.000 0.916 233 E HN 0.581 nan 8.360 nan 0.000 0.500 234 G N 2.025 110.819 108.800 -0.011 0.000 2.221 234 G HA2 -0.290 3.670 3.960 0.001 0.000 0.265 234 G HA3 -0.290 3.670 3.960 0.001 0.000 0.265 234 G C 0.069 174.964 174.900 -0.008 0.000 1.041 234 G CA 0.050 45.145 45.100 -0.008 0.000 0.807 234 G HN 0.249 nan 8.290 nan 0.000 0.502 235 I N 0.312 120.875 120.570 -0.012 0.000 2.392 235 I HA 0.262 4.432 4.170 0.001 0.000 0.295 235 I C -0.280 175.831 176.117 -0.011 0.000 0.985 235 I CA -0.755 60.539 61.300 -0.010 0.000 1.221 235 I CB 1.540 39.534 38.000 -0.011 0.000 1.366 235 I HN 0.021 nan 8.210 nan 0.000 0.467 236 D N 6.094 126.487 120.400 -0.011 0.000 2.411 236 D HA 0.129 4.769 4.640 0.001 0.000 0.225 236 D C 0.922 177.212 176.300 -0.018 0.000 1.156 236 D CA -0.222 53.770 54.000 -0.014 0.000 0.874 236 D CB 1.494 42.283 40.800 -0.018 0.000 1.034 236 D HN 0.245 nan 8.370 nan 0.000 0.502 237 V N 5.229 125.140 119.914 -0.003 0.000 2.392 237 V HA -0.209 3.912 4.120 0.001 0.000 0.249 237 V C 2.685 178.750 176.094 -0.049 0.000 1.059 237 V CA 1.194 63.499 62.300 0.008 0.000 1.051 237 V CB -0.443 31.430 31.823 0.084 0.000 0.658 237 V HN 0.549 nan 8.190 nan 0.000 0.455 238 R N -0.077 120.390 120.500 -0.056 0.000 2.083 238 R HA -0.168 4.172 4.340 0.001 0.000 0.237 238 R C 2.429 178.625 176.300 -0.173 0.000 1.137 238 R CA 1.694 57.724 56.100 -0.116 0.000 0.951 238 R CB -0.423 29.842 30.300 -0.059 0.000 0.851 238 R HN 0.571 nan 8.270 nan 0.000 0.434 239 Q N 0.417 120.153 119.800 -0.107 0.000 2.030 239 Q HA -0.164 4.176 4.340 0.001 0.000 0.204 239 Q C 1.891 177.821 176.000 -0.117 0.000 0.986 239 Q CA 1.254 56.996 55.803 -0.100 0.000 0.843 239 Q CB -0.295 28.411 28.738 -0.054 0.000 0.904 239 Q HN 0.352 nan 8.270 nan 0.000 0.420 240 E N 0.842 120.992 120.200 -0.083 0.000 2.085 240 E HA -0.138 4.212 4.350 0.001 0.000 0.194 240 E C 2.319 178.863 176.600 -0.092 0.000 0.994 240 E CA 0.678 57.051 56.400 -0.045 0.000 0.801 240 E CB -0.355 29.335 29.700 -0.016 0.000 0.743 240 E HN 0.350 nan 8.360 nan 0.000 0.453 241 L N 0.254 121.320 121.223 -0.261 0.000 2.017 241 L HA -0.183 4.157 4.340 0.001 0.000 0.208 241 L C 2.649 179.117 176.870 -0.671 0.000 1.073 241 L CA 0.866 55.400 54.840 -0.511 0.000 0.745 241 L CB -0.409 41.137 42.059 -0.854 0.000 0.894 241 L HN 0.100 nan 8.230 nan 0.000 0.432 242 L N -0.360 120.469 121.223 -0.657 0.000 2.027 242 L HA -0.240 4.101 4.340 0.001 0.000 0.206 242 L C 2.701 179.490 176.870 -0.135 0.000 1.074 242 L CA 1.345 55.920 54.840 -0.441 0.000 0.745 242 L CB -0.434 41.461 42.059 -0.273 0.000 0.898 242 L HN 0.215 nan 8.230 nan 0.000 0.433 243 K N -0.224 120.129 120.400 -0.078 0.000 2.063 243 K HA -0.254 4.066 4.320 0.001 0.000 0.208 243 K C 2.188 178.825 176.600 0.063 0.000 1.048 243 K CA 1.746 58.031 56.287 -0.004 0.000 0.928 243 K CB -0.213 32.294 32.500 0.012 0.000 0.713 243 K HN 0.100 nan 8.250 nan 0.000 0.442 244 F N 1.233 121.176 119.950 -0.011 0.000 2.102 244 F HA -0.256 4.272 4.527 0.001 0.000 0.298 244 F C 2.516 178.418 175.800 0.170 0.000 1.105 244 F CA 1.926 60.006 58.000 0.133 0.000 1.239 244 F CB -0.428 38.641 39.000 0.114 0.000 0.991 244 F HN 0.232 nan 8.300 nan 0.000 0.474 245 H N -0.781 118.325 119.070 0.059 0.000 2.353 245 H HA -0.153 4.403 4.556 0.001 0.000 0.300 245 H C 2.442 177.764 175.328 -0.009 0.000 1.090 245 H CA 1.738 57.730 56.048 -0.092 0.000 1.327 245 H CB -0.494 29.221 29.762 -0.078 0.000 1.383 245 H HN 0.410 nan 8.280 nan 0.000 0.508 246 S N -0.147 115.641 115.700 0.148 0.000 2.368 246 S HA -0.095 4.376 4.470 0.001 0.000 0.225 246 S C 2.390 176.957 174.600 -0.055 0.000 1.030 246 S CA 1.308 59.556 58.200 0.081 0.000 0.999 246 S CB -0.446 62.778 63.200 0.039 0.000 0.844 246 S HN 0.580 nan 8.310 nan 0.000 0.459 247 A N -0.704 122.013 122.820 -0.171 0.000 1.929 247 A HA 0.147 4.467 4.320 0.001 0.000 0.216 247 A C 1.704 178.969 177.584 -0.532 0.000 1.176 247 A CA 1.130 52.929 52.037 -0.395 0.000 0.628 247 A CB -0.595 18.059 19.000 -0.577 0.000 0.816 247 A HN 0.733 nan 8.150 nan 0.000 0.444 248 Y N -3.516 116.652 120.300 -0.220 0.000 2.498 248 Y HA 0.203 4.754 4.550 0.001 0.000 0.259 248 Y C 0.410 176.277 175.900 -0.054 0.000 1.086 248 Y CA -0.333 57.648 58.100 -0.198 0.000 1.287 248 Y CB 0.161 38.379 38.460 -0.404 0.000 1.146 248 Y HN 0.282 nan 8.280 nan 0.000 0.523 249 Y N 1.431 121.636 120.300 -0.158 0.000 2.734 249 Y HA 0.131 4.682 4.550 0.001 0.000 0.353 249 Y C 0.716 176.563 175.900 -0.089 0.000 1.244 249 Y CA -0.558 57.446 58.100 -0.160 0.000 1.950 249 Y CB 0.030 38.193 38.460 -0.495 0.000 2.028 249 Y HN -0.117 nan 8.280 nan 0.000 0.421 250 S N 0.111 115.819 115.700 0.013 0.000 2.525 250 S HA 0.115 4.585 4.470 0.001 0.000 0.290 250 S C 1.285 175.882 174.600 -0.005 0.000 1.152 250 S CA -0.299 57.904 58.200 0.004 0.000 1.072 250 S CB 1.008 64.195 63.200 -0.021 0.000 1.027 250 S HN 0.658 nan 8.310 nan 0.000 0.500 251 S N 3.763 119.471 115.700 0.014 0.000 2.419 251 S HA -0.196 4.274 4.470 0.001 0.000 0.235 251 S C 1.644 176.245 174.600 0.002 0.000 1.019 251 S CA 1.479 59.686 58.200 0.012 0.000 0.982 251 S CB -0.763 62.456 63.200 0.032 0.000 0.789 251 S HN 0.904 nan 8.310 nan 0.000 0.490 252 N N 1.864 120.562 118.700 -0.003 0.000 2.512 252 N HA -0.047 4.693 4.740 0.001 0.000 0.183 252 N C 1.165 176.678 175.510 0.006 0.000 1.073 252 N CA 0.711 53.758 53.050 -0.005 0.000 0.911 252 N CB -0.385 38.091 38.487 -0.018 0.000 0.964 252 N HN 0.521 nan 8.380 nan 0.000 0.447 253 L N -0.080 121.145 121.223 0.004 0.000 2.910 253 L HA 0.403 4.743 4.340 0.001 0.000 0.252 253 L C 0.189 177.125 176.870 0.109 0.000 1.195 253 L CA -0.145 54.705 54.840 0.017 0.000 1.003 253 L CB 0.063 42.091 42.059 -0.051 0.000 1.328 253 L HN 0.012 nan 8.230 nan 0.000 0.540 254 M N 0.196 119.856 119.600 0.100 0.000 2.528 254 M HA 0.699 5.180 4.480 0.001 0.000 0.321 254 M C -0.461 175.837 176.300 -0.003 0.000 1.153 254 M CA -0.327 55.014 55.300 0.067 0.000 0.951 254 M CB 2.573 35.115 32.600 -0.095 0.000 1.705 254 M HN -0.008 nan 8.290 nan 0.000 0.451 255 A N 2.030 124.775 122.820 -0.127 0.000 2.422 255 A HA 0.866 5.187 4.320 0.001 0.000 0.302 255 A C -1.275 176.163 177.584 -0.242 0.000 1.041 255 A CA -0.651 51.202 52.037 -0.306 0.000 0.708 255 A CB 1.532 20.119 19.000 -0.689 0.000 1.257 255 A HN 0.598 nan 8.150 nan 0.000 0.414 256 V N 0.406 120.163 119.914 -0.261 0.000 2.823 256 V HA 0.678 4.798 4.120 0.001 0.000 0.312 256 V C -0.665 175.292 176.094 -0.229 0.000 1.072 256 V CA -0.579 61.553 62.300 -0.280 0.000 0.937 256 V CB 1.861 33.382 31.823 -0.504 0.000 1.013 256 V HN 1.208 nan 8.190 nan 0.000 0.430 257 C N 4.291 123.472 119.300 -0.198 0.000 2.481 257 C HA 0.849 5.309 4.460 0.001 0.000 0.324 257 C C -0.913 173.973 174.990 -0.173 0.000 1.170 257 C CA -0.136 58.780 59.018 -0.170 0.000 1.361 257 C CB 0.600 28.241 27.740 -0.164 0.000 1.977 257 C HN 0.727 nan 8.230 nan 0.000 0.459 258 V N 6.717 126.546 119.914 -0.141 0.000 2.604 258 V HA 0.624 4.745 4.120 0.001 0.000 0.305 258 V C -0.480 175.560 176.094 -0.089 0.000 1.043 258 V CA -0.552 61.675 62.300 -0.121 0.000 0.888 258 V CB 1.786 33.565 31.823 -0.074 0.000 0.995 258 V HN 0.864 nan 8.190 nan 0.000 0.429 259 L N 3.799 124.974 121.223 -0.081 0.000 2.409 259 L HA 0.985 5.325 4.340 0.001 0.000 0.272 259 L C -0.060 176.798 176.870 -0.021 0.000 0.980 259 L CA 0.219 55.029 54.840 -0.050 0.000 0.826 259 L CB 1.651 43.699 42.059 -0.019 0.000 1.268 259 L HN 0.838 nan 8.230 nan 0.000 0.407 260 G N 3.219 112.009 108.800 -0.016 0.000 2.645 260 G HA2 0.302 4.262 3.960 0.001 0.000 0.292 260 G HA3 0.302 4.262 3.960 0.001 0.000 0.292 260 G C -0.293 174.604 174.900 -0.005 0.000 1.415 260 G CA -0.646 44.465 45.100 0.017 0.000 0.785 260 G HN 0.590 nan 8.290 nan 0.000 0.483 261 R N -0.305 120.202 120.500 0.012 0.000 2.153 261 R HA 0.066 4.407 4.340 0.001 0.000 0.218 261 R C 0.248 176.538 176.300 -0.016 0.000 1.072 261 R CA 0.406 56.489 56.100 -0.029 0.000 0.990 261 R CB -0.041 30.224 30.300 -0.057 0.000 0.889 261 R HN 0.536 nan 8.270 nan 0.000 0.452 262 E N 1.178 121.382 120.200 0.007 0.000 2.458 262 E HA -0.065 4.285 4.350 0.001 0.000 0.264 262 E C 0.154 176.747 176.600 -0.010 0.000 1.097 262 E CA 0.212 56.615 56.400 0.006 0.000 0.973 262 E CB 0.404 30.115 29.700 0.018 0.000 0.963 262 E HN 0.137 nan 8.360 nan 0.000 0.451 263 S N 1.361 117.056 115.700 -0.008 0.000 2.600 263 S HA 0.093 4.563 4.470 0.001 0.000 0.265 263 S C 1.210 175.801 174.600 -0.014 0.000 1.325 263 S CA -0.626 57.565 58.200 -0.014 0.000 1.002 263 S CB 0.439 63.634 63.200 -0.008 0.000 0.921 263 S HN 0.516 nan 8.310 nan 0.000 0.554 264 L N 0.478 121.690 121.223 -0.019 0.000 2.042 264 L HA -0.145 4.195 4.340 0.001 0.000 0.210 264 L C 2.321 179.187 176.870 -0.007 0.000 1.076 264 L CA 1.632 56.462 54.840 -0.017 0.000 0.749 264 L CB -0.683 41.366 42.059 -0.017 0.000 0.893 264 L HN 0.696 nan 8.230 nan 0.000 0.432 265 D N -0.046 120.352 120.400 -0.004 0.000 2.117 265 D HA -0.184 4.456 4.640 0.001 0.000 0.197 265 D C 1.773 178.078 176.300 0.008 0.000 0.987 265 D CA 1.368 55.369 54.000 0.001 0.000 0.829 265 D CB -0.161 40.640 40.800 0.001 0.000 0.961 265 D HN 0.305 nan 8.370 nan 0.000 0.460 266 D N 0.081 120.485 120.400 0.008 0.000 2.144 266 D HA -0.048 4.593 4.640 0.001 0.000 0.200 266 D C 2.276 178.589 176.300 0.022 0.000 0.978 266 D CA 0.293 54.302 54.000 0.015 0.000 0.833 266 D CB -0.218 40.591 40.800 0.014 0.000 0.961 266 D HN 0.198 nan 8.370 nan 0.000 0.470 267 L N 0.285 121.517 121.223 0.016 0.000 2.141 267 L HA -0.119 4.221 4.340 0.001 0.000 0.209 267 L C 2.306 179.192 176.870 0.027 0.000 1.094 267 L CA 0.999 55.852 54.840 0.021 0.000 0.763 267 L CB -0.520 41.541 42.059 0.002 0.000 0.908 267 L HN 0.041 nan 8.230 nan 0.000 0.437 268 T N -0.521 114.043 114.554 0.017 0.000 2.708 268 T HA -0.132 4.218 4.350 0.001 0.000 0.266 268 T C 1.704 176.425 174.700 0.036 0.000 1.037 268 T CA 1.374 63.486 62.100 0.020 0.000 1.146 268 T CB -0.222 68.652 68.868 0.010 0.000 0.865 268 T HN 0.306 nan 8.240 nan 0.000 0.435 269 N N 1.190 119.911 118.700 0.034 0.000 2.244 269 N HA 0.043 4.784 4.740 0.001 0.000 0.183 269 N C 1.862 177.407 175.510 0.058 0.000 1.016 269 N CA 0.516 53.590 53.050 0.040 0.000 0.866 269 N CB -0.460 38.045 38.487 0.030 0.000 0.980 269 N HN 0.311 nan 8.380 nan 0.000 0.430 270 L N 0.759 122.021 121.223 0.066 0.000 2.005 270 L HA -0.122 4.218 4.340 0.001 0.000 0.207 270 L C 1.965 178.923 176.870 0.147 0.000 1.072 270 L CA 1.064 55.958 54.840 0.091 0.000 0.744 270 L CB -0.221 41.891 42.059 0.089 0.000 0.895 270 L HN -0.084 nan 8.230 nan 0.000 0.433 271 V N -0.644 119.363 119.914 0.156 0.000 2.343 271 V HA -0.269 3.852 4.120 0.001 0.000 0.247 271 V C 2.474 178.729 176.094 0.269 0.000 1.051 271 V CA 1.585 64.033 62.300 0.246 0.000 1.036 271 V CB -0.230 31.647 31.823 0.090 0.000 0.654 271 V HN 0.282 nan 8.190 nan 0.000 0.451 272 V N 0.049 120.051 119.914 0.147 0.000 2.295 272 V HA -0.311 3.809 4.120 0.001 0.000 0.246 272 V C 2.439 178.599 176.094 0.111 0.000 1.049 272 V CA 2.459 64.830 62.300 0.118 0.000 1.024 272 V CB -0.680 31.184 31.823 0.069 0.000 0.648 272 V HN 0.584 nan 8.190 nan 0.000 0.447 273 K N -0.277 120.177 120.400 0.090 0.000 2.152 273 K HA -0.146 4.174 4.320 0.001 0.000 0.206 273 K C 1.923 178.544 176.600 0.034 0.000 1.048 273 K CA 1.585 57.905 56.287 0.056 0.000 0.933 273 K CB -0.087 32.440 32.500 0.045 0.000 0.721 273 K HN 0.439 nan 8.250 nan 0.000 0.447 274 L N -1.010 120.246 121.223 0.056 0.000 2.408 274 L HA 0.092 4.433 4.340 0.001 0.000 0.215 274 L C 1.200 177.881 176.870 -0.315 0.000 1.081 274 L CA 0.177 54.943 54.840 -0.123 0.000 0.840 274 L CB 0.145 42.104 42.059 -0.166 0.000 1.002 274 L HN 0.085 nan 8.230 nan 0.000 0.468 275 F N -1.069 118.915 119.950 0.057 0.000 2.724 275 F HA 0.053 4.580 4.527 0.001 0.000 0.306 275 F C 2.523 178.342 175.800 0.031 0.000 1.100 275 F CA 0.351 58.380 58.000 0.049 0.000 1.255 275 F CB -0.051 38.972 39.000 0.037 0.000 1.072 275 F HN -0.038 nan 8.300 nan 0.000 0.589 276 S N 0.400 116.200 115.700 0.167 0.000 2.469 276 S HA -0.215 4.256 4.470 0.001 0.000 0.238 276 S C 1.559 176.201 174.600 0.070 0.000 0.998 276 S CA 1.279 59.540 58.200 0.102 0.000 0.957 276 S CB -0.768 62.476 63.200 0.072 0.000 0.764 276 S HN 0.681 nan 8.310 nan 0.000 0.514 277 E N 1.125 121.357 120.200 0.053 0.000 2.481 277 E HA 0.105 4.455 4.350 0.001 0.000 0.195 277 E C -0.054 176.574 176.600 0.047 0.000 1.047 277 E CA 0.002 56.421 56.400 0.032 0.000 0.867 277 E CB -0.336 29.367 29.700 0.005 0.000 0.858 277 E HN 0.337 nan 8.360 nan 0.000 0.513 278 V N 2.470 122.430 119.914 0.077 0.000 2.673 278 V HA -0.051 4.070 4.120 0.001 0.000 0.303 278 V C 0.491 176.630 176.094 0.074 0.000 1.046 278 V CA 0.263 62.623 62.300 0.099 0.000 1.126 278 V CB 0.816 32.726 31.823 0.145 0.000 0.934 278 V HN 0.282 nan 8.190 nan 0.000 0.487 279 E N 3.675 123.917 120.200 0.070 0.000 2.354 279 E HA 0.125 4.475 4.350 0.001 0.000 0.269 279 E C -0.194 176.427 176.600 0.034 0.000 1.036 279 E CA -0.572 55.856 56.400 0.046 0.000 0.876 279 E CB 0.620 30.345 29.700 0.041 0.000 1.009 279 E HN 0.687 nan 8.360 nan 0.000 0.416 280 N N 3.219 121.930 118.700 0.018 0.000 2.457 280 N HA 0.112 4.852 4.740 0.001 0.000 0.250 280 N C -0.634 174.871 175.510 -0.009 0.000 0.982 280 N CA -0.311 52.742 53.050 0.005 0.000 0.941 280 N CB 0.991 39.480 38.487 0.003 0.000 1.120 280 N HN 0.270 nan 8.380 nan 0.000 0.505 281 K N 1.767 122.154 120.400 -0.020 0.000 2.374 281 K HA 0.282 4.603 4.320 0.001 0.000 0.196 281 K C -0.348 176.223 176.600 -0.048 0.000 1.023 281 K CA -0.095 56.169 56.287 -0.040 0.000 1.103 281 K CB -0.152 32.311 32.500 -0.062 0.000 0.848 281 K HN 0.547 nan 8.250 nan 0.000 0.528 282 N N 0.582 119.259 118.700 -0.038 0.000 2.725 282 N HA -0.170 4.571 4.740 0.001 0.000 0.251 282 N C -0.955 174.522 175.510 -0.055 0.000 1.031 282 N CA 0.538 53.564 53.050 -0.041 0.000 0.720 282 N CB -1.470 36.995 38.487 -0.036 0.000 0.930 282 N HN -0.069 nan 8.380 nan 0.000 0.543 283 V N 0.976 120.854 119.914 -0.061 0.000 2.572 283 V HA 0.177 4.297 4.120 0.001 0.000 0.291 283 V C -1.544 174.510 176.094 -0.066 0.000 1.039 283 V CA -0.831 61.427 62.300 -0.071 0.000 1.055 283 V CB 0.900 32.684 31.823 -0.066 0.000 0.969 283 V HN 0.090 nan 8.190 nan 0.000 0.482 284 P HA 0.207 nan 4.420 nan 0.000 0.275 284 P C -0.322 176.911 177.300 -0.111 0.000 1.227 284 P CA -0.449 62.599 63.100 -0.086 0.000 0.781 284 P CB 0.554 32.207 31.700 -0.079 0.000 0.906 285 L N 5.408 126.531 121.223 -0.167 0.000 2.410 285 L HA 0.217 4.557 4.340 0.001 0.000 0.273 285 L C -1.893 174.812 176.870 -0.276 0.000 1.144 285 L CA -1.701 52.980 54.840 -0.266 0.000 0.863 285 L CB 0.479 42.337 42.059 -0.336 0.000 1.140 285 L HN 0.286 nan 8.230 nan 0.000 0.463 286 P HA 0.049 nan 4.420 nan 0.000 0.265 286 P C -1.051 175.909 177.300 -0.568 0.000 1.193 286 P CA 0.184 63.050 63.100 -0.389 0.000 0.765 286 P CB 0.496 32.049 31.700 -0.245 0.000 0.823 287 E N 2.244 121.994 120.200 -0.751 0.000 2.266 287 E HA 0.416 4.766 4.350 0.001 0.000 0.268 287 E C -1.428 174.658 176.600 -0.858 0.000 0.879 287 E CA -0.646 55.396 56.400 -0.596 0.000 0.762 287 E CB 0.875 30.405 29.700 -0.283 0.000 1.199 287 E HN 0.228 nan 8.360 nan 0.000 0.422 288 F N 4.675 124.677 119.950 0.086 0.000 2.584 288 F HA 0.289 4.817 4.527 0.001 0.000 0.328 288 F C -1.732 174.196 175.800 0.213 0.000 1.407 288 F CA -1.457 56.647 58.000 0.172 0.000 1.145 288 F CB 1.319 40.569 39.000 0.416 0.000 1.440 288 F HN 0.376 nan 8.300 nan 0.000 0.580 289 P HA -0.202 nan 4.420 nan 0.000 0.218 289 P C 0.339 177.747 177.300 0.181 0.000 1.148 289 P CA 1.141 64.336 63.100 0.158 0.000 0.822 289 P CB 0.456 32.201 31.700 0.075 0.000 0.784 290 E N 0.387 120.697 120.200 0.182 0.000 2.259 290 E HA 0.017 4.368 4.350 0.001 0.000 0.281 290 E C -0.017 176.676 176.600 0.155 0.000 1.037 290 E CA -0.599 55.906 56.400 0.173 0.000 0.854 290 E CB 0.172 29.963 29.700 0.152 0.000 1.051 290 E HN 0.131 nan 8.360 nan 0.000 0.409 291 H N 5.433 124.493 119.070 -0.017 0.000 2.803 291 H HA 0.050 4.606 4.556 0.001 0.000 0.330 291 H C -1.834 173.217 175.328 -0.462 0.000 1.057 291 H CA -1.755 54.112 56.048 -0.301 0.000 1.458 291 H CB 1.423 31.088 29.762 -0.161 0.000 1.470 291 H HN 0.508 nan 8.280 nan 0.000 0.560 292 P HA -0.149 nan 4.420 nan 0.000 0.217 292 P C -0.365 176.739 177.300 -0.326 0.000 1.148 292 P CA 1.231 63.689 63.100 -1.069 0.000 0.828 292 P CB 0.070 30.710 31.700 -1.766 0.000 0.783 293 F N 0.056 120.060 119.950 0.089 0.000 2.334 293 F HA 0.338 4.866 4.527 0.001 0.000 0.367 293 F C 1.077 177.006 175.800 0.215 0.000 1.115 293 F CA -1.021 57.062 58.000 0.139 0.000 1.116 293 F CB 0.063 39.156 39.000 0.156 0.000 1.230 293 F HN -0.152 nan 8.300 nan 0.000 0.484 294 Q N 0.981 121.149 119.800 0.614 0.000 2.293 294 Q HA 0.169 4.510 4.340 0.001 0.000 0.216 294 Q C 1.423 177.561 176.000 0.230 0.000 1.003 294 Q CA -0.475 55.539 55.803 0.353 0.000 0.995 294 Q CB 0.735 29.656 28.738 0.304 0.000 1.172 294 Q HN 0.532 nan 8.270 nan 0.000 0.518 295 E N 1.377 121.643 120.200 0.111 0.000 2.086 295 E HA -0.237 4.114 4.350 0.001 0.000 0.200 295 E C 1.409 178.002 176.600 -0.012 0.000 1.012 295 E CA 2.077 58.508 56.400 0.052 0.000 0.812 295 E CB 0.047 29.766 29.700 0.032 0.000 0.743 295 E HN 0.602 nan 8.360 nan 0.000 0.453 296 E N -0.520 119.606 120.200 -0.124 0.000 2.463 296 E HA -0.210 4.141 4.350 0.001 0.000 0.201 296 E C 0.750 177.183 176.600 -0.278 0.000 1.045 296 E CA 1.066 57.330 56.400 -0.226 0.000 0.872 296 E CB -0.377 29.141 29.700 -0.303 0.000 0.797 296 E HN 0.547 nan 8.360 nan 0.000 0.538 297 H N 0.190 119.313 119.070 0.089 0.000 2.586 297 H HA 0.354 4.911 4.556 0.001 0.000 0.273 297 H C 0.679 176.006 175.328 -0.001 0.000 0.997 297 H CA -0.068 56.024 56.048 0.073 0.000 1.177 297 H CB 0.664 30.515 29.762 0.149 0.000 1.471 297 H HN 0.079 nan 8.280 nan 0.000 0.538 298 L N 0.214 121.491 121.223 0.089 0.000 2.358 298 L HA 0.251 4.591 4.340 0.001 0.000 0.268 298 L C 0.759 177.654 176.870 0.042 0.000 1.032 298 L CA -0.822 54.056 54.840 0.062 0.000 0.805 298 L CB 1.105 43.216 42.059 0.087 0.000 1.253 298 L HN -0.044 nan 8.230 nan 0.000 0.452 299 K N 0.557 120.992 120.400 0.059 0.000 3.096 299 K HA -0.174 4.147 4.320 0.001 0.000 0.266 299 K C -0.727 175.876 176.600 0.004 0.000 1.043 299 K CA 0.357 56.681 56.287 0.061 0.000 0.758 299 K CB -0.964 31.563 32.500 0.045 0.000 1.260 299 K HN 0.471 nan 8.250 nan 0.000 0.481 300 Q N 0.384 120.172 119.800 -0.020 0.000 2.345 300 Q HA 0.528 4.868 4.340 0.001 0.000 0.268 300 Q C -0.639 175.229 176.000 -0.219 0.000 1.054 300 Q CA -0.937 54.765 55.803 -0.169 0.000 0.835 300 Q CB 2.030 30.640 28.738 -0.213 0.000 1.339 300 Q HN 0.236 nan 8.270 nan 0.000 0.447 301 L N 1.969 122.967 121.223 -0.375 0.000 2.341 301 L HA 0.516 4.856 4.340 0.001 0.000 0.278 301 L C -1.830 174.750 176.870 -0.483 0.000 1.005 301 L CA -0.468 54.222 54.840 -0.249 0.000 0.818 301 L CB 1.129 43.119 42.059 -0.114 0.000 1.259 301 L HN 0.440 nan 8.230 nan 0.000 0.418 302 Y N 3.474 123.772 120.300 -0.003 0.000 2.350 302 Y HA 0.550 5.101 4.550 0.001 0.000 0.338 302 Y C -0.321 175.552 175.900 -0.045 0.000 0.961 302 Y CA -0.716 57.390 58.100 0.009 0.000 1.100 302 Y CB 1.772 40.241 38.460 0.015 0.000 1.179 302 Y HN 0.401 nan 8.280 nan 0.000 0.454 303 K N 4.928 125.303 120.400 -0.041 0.000 2.293 303 K HA 0.654 4.974 4.320 0.001 0.000 0.267 303 K C -1.204 175.365 176.600 -0.051 0.000 1.010 303 K CA -0.338 55.704 56.287 -0.409 0.000 0.875 303 K CB 1.431 33.221 32.500 -1.184 0.000 1.106 303 K HN 0.568 nan 8.250 nan 0.000 0.450 304 I N 2.217 122.912 120.570 0.210 0.000 2.509 304 I HA 0.268 4.439 4.170 0.001 0.000 0.293 304 I C -0.445 175.878 176.117 0.342 0.000 1.020 304 I CA -1.347 60.118 61.300 0.275 0.000 1.088 304 I CB 2.169 40.282 38.000 0.188 0.000 1.267 304 I HN 0.159 nan 8.210 nan 0.000 0.430 305 V N 7.285 127.352 119.914 0.255 0.000 2.385 305 V HA 0.326 4.447 4.120 0.001 0.000 0.269 305 V C -1.868 174.307 176.094 0.134 0.000 1.043 305 V CA -1.247 61.173 62.300 0.200 0.000 0.906 305 V CB 0.833 32.751 31.823 0.159 0.000 0.995 305 V HN 0.599 nan 8.190 nan 0.000 0.467 306 P HA 0.404 nan 4.420 nan 0.000 0.280 306 P C 0.528 177.860 177.300 0.053 0.000 1.272 306 P CA -0.448 62.699 63.100 0.078 0.000 0.819 306 P CB 1.791 33.538 31.700 0.078 0.000 1.122 307 I N -0.706 119.887 120.570 0.039 0.000 2.364 307 I HA 0.066 4.236 4.170 0.001 0.000 0.241 307 I C 1.367 177.494 176.117 0.017 0.000 1.082 307 I CA 1.106 62.415 61.300 0.015 0.000 1.401 307 I CB -1.167 36.829 38.000 -0.007 0.000 1.126 307 I HN 0.341 nan 8.210 nan 0.000 0.429 308 K N 1.259 121.675 120.400 0.028 0.000 2.180 308 K HA -0.010 4.310 4.320 0.001 0.000 0.251 308 K C -0.027 176.590 176.600 0.028 0.000 1.014 308 K CA -0.302 56.002 56.287 0.029 0.000 0.913 308 K CB 0.410 32.934 32.500 0.040 0.000 1.008 308 K HN -0.077 nan 8.250 nan 0.000 0.490 309 D N 2.775 123.188 120.400 0.021 0.000 2.483 309 D HA 0.160 4.801 4.640 0.001 0.000 0.220 309 D C -0.707 175.602 176.300 0.015 0.000 1.173 309 D CA -0.259 53.748 54.000 0.012 0.000 0.964 309 D CB -0.536 40.265 40.800 0.003 0.000 1.046 309 D HN 0.374 nan 8.370 nan 0.000 0.517 310 I N -0.848 119.736 120.570 0.022 0.000 2.892 310 I HA 0.626 4.796 4.170 0.001 0.000 0.306 310 I C -0.425 175.701 176.117 0.015 0.000 1.078 310 I CA -1.228 60.087 61.300 0.026 0.000 1.032 310 I CB 2.321 40.350 38.000 0.049 0.000 1.229 310 I HN -0.185 nan 8.210 nan 0.000 0.435 311 R N 3.350 123.852 120.500 0.002 0.000 2.435 311 R HA 0.524 4.864 4.340 0.001 0.000 0.308 311 R C -1.347 174.931 176.300 -0.037 0.000 0.975 311 R CA -0.640 55.450 56.100 -0.018 0.000 0.867 311 R CB 1.467 31.748 30.300 -0.032 0.000 1.171 311 R HN 0.698 nan 8.270 nan 0.000 0.470 312 N N 2.435 121.108 118.700 -0.045 0.000 2.284 312 N HA 0.398 5.139 4.740 0.001 0.000 0.289 312 N C -1.754 173.608 175.510 -0.246 0.000 1.179 312 N CA -0.773 52.157 53.050 -0.200 0.000 0.774 312 N CB 2.683 40.995 38.487 -0.291 0.000 1.548 312 N HN 0.202 nan 8.380 nan 0.000 0.473 313 L N 1.775 122.749 121.223 -0.415 0.000 2.381 313 L HA 0.532 4.872 4.340 0.001 0.000 0.274 313 L C -1.844 174.741 176.870 -0.475 0.000 0.988 313 L CA -0.515 54.157 54.840 -0.279 0.000 0.824 313 L CB 0.740 42.712 42.059 -0.145 0.000 1.263 313 L HN 0.421 nan 8.230 nan 0.000 0.410 314 Y N 4.466 124.757 120.300 -0.014 0.000 2.328 314 Y HA 0.631 5.182 4.550 0.001 0.000 0.333 314 Y C -0.281 175.578 175.900 -0.067 0.000 0.958 314 Y CA -0.856 57.219 58.100 -0.042 0.000 1.167 314 Y CB 1.976 40.407 38.460 -0.048 0.000 1.151 314 Y HN 0.309 nan 8.280 nan 0.000 0.470 315 V N 3.689 123.612 119.914 0.015 0.000 2.398 315 V HA 0.561 4.681 4.120 0.001 0.000 0.286 315 V C -0.196 175.823 176.094 -0.126 0.000 1.026 315 V CA -0.463 61.763 62.300 -0.123 0.000 0.868 315 V CB 1.706 33.407 31.823 -0.204 0.000 0.982 315 V HN 0.819 nan 8.190 nan 0.000 0.443 316 T N 5.323 119.741 114.554 -0.227 0.000 2.876 316 T HA 0.723 5.074 4.350 0.001 0.000 0.289 316 T C -0.985 173.595 174.700 -0.200 0.000 1.014 316 T CA -0.242 61.815 62.100 -0.073 0.000 0.986 316 T CB 1.199 70.095 68.868 0.046 0.000 1.021 316 T HN 0.295 nan 8.240 nan 0.000 0.458 317 F N 2.628 122.762 119.950 0.308 0.000 2.529 317 F HA 0.482 5.009 4.527 0.001 0.000 0.320 317 F C -2.475 173.514 175.800 0.315 0.000 1.118 317 F CA -2.596 55.569 58.000 0.275 0.000 0.915 317 F CB 1.931 41.078 39.000 0.244 0.000 1.161 317 F HN 0.268 nan 8.300 nan 0.000 0.445 318 P HA 0.403 nan 4.420 nan 0.000 0.280 318 P C -0.854 176.466 177.300 0.033 0.000 1.244 318 P CA -0.184 62.928 63.100 0.020 0.000 0.784 318 P CB 0.817 32.291 31.700 -0.377 0.000 0.913 319 I N -0.696 119.917 120.570 0.072 0.000 3.095 319 I HA 0.704 4.874 4.170 0.001 0.000 0.310 319 I C -3.024 173.190 176.117 0.162 0.000 1.196 319 I CA -3.493 57.880 61.300 0.123 0.000 0.985 319 I CB 2.337 40.445 38.000 0.180 0.000 1.250 319 I HN 0.036 nan 8.210 nan 0.000 0.446 320 P HA 0.079 nan 4.420 nan 0.000 0.273 320 P C -1.164 176.217 177.300 0.135 0.000 1.250 320 P CA -0.019 63.176 63.100 0.159 0.000 0.793 320 P CB 0.371 32.163 31.700 0.152 0.000 1.011 321 D N 0.675 121.135 120.400 0.101 0.000 2.371 321 D HA 0.030 4.670 4.640 0.001 0.000 0.256 321 D C 0.445 176.795 176.300 0.083 0.000 1.193 321 D CA 0.390 54.419 54.000 0.048 0.000 0.881 321 D CB 0.159 40.967 40.800 0.014 0.000 1.143 321 D HN 0.222 nan 8.370 nan 0.000 0.473 322 L N 3.213 124.505 121.223 0.115 0.000 2.640 322 L HA 0.060 4.400 4.340 0.001 0.000 0.230 322 L C 1.894 178.855 176.870 0.151 0.000 1.123 322 L CA -0.187 54.788 54.840 0.226 0.000 0.900 322 L CB -0.026 42.191 42.059 0.263 0.000 1.146 322 L HN 0.389 nan 8.230 nan 0.000 0.484 323 Q N 2.520 122.368 119.800 0.080 0.000 2.152 323 Q HA -0.240 4.101 4.340 0.001 0.000 0.206 323 Q C 2.047 178.153 176.000 0.177 0.000 0.985 323 Q CA 2.083 57.956 55.803 0.117 0.000 0.863 323 Q CB -0.103 28.682 28.738 0.078 0.000 0.904 323 Q HN 0.603 nan 8.270 nan 0.000 0.422 324 K N -1.612 118.774 120.400 -0.024 0.000 2.439 324 K HA -0.127 4.193 4.320 0.001 0.000 0.197 324 K C 0.359 176.940 176.600 -0.033 0.000 1.041 324 K CA 1.029 57.297 56.287 -0.032 0.000 0.970 324 K CB -0.163 32.180 32.500 -0.262 0.000 0.773 324 K HN 0.230 nan 8.250 nan 0.000 0.479 325 Y N 1.104 121.508 120.300 0.174 0.000 2.532 325 Y HA 0.097 4.648 4.550 0.001 0.000 0.283 325 Y C 1.291 177.239 175.900 0.081 0.000 1.181 325 Y CA -1.473 56.667 58.100 0.067 0.000 1.256 325 Y CB -0.859 37.629 38.460 0.046 0.000 1.112 325 Y HN 0.189 nan 8.280 nan 0.000 0.521 326 Y N -0.219 120.223 120.300 0.236 0.000 2.365 326 Y HA -0.223 4.327 4.550 0.001 0.000 0.287 326 Y C 1.670 177.684 175.900 0.191 0.000 1.162 326 Y CA 0.991 59.229 58.100 0.231 0.000 1.260 326 Y CB -0.571 38.056 38.460 0.278 0.000 0.976 326 Y HN -0.055 nan 8.280 nan 0.000 0.548 327 K N 0.448 120.572 120.400 -0.460 0.000 2.283 327 K HA -0.074 4.247 4.320 0.001 0.000 0.202 327 K C 1.806 178.429 176.600 0.039 0.000 1.048 327 K CA 1.429 57.547 56.287 -0.282 0.000 0.948 327 K CB -0.106 32.190 32.500 -0.341 0.000 0.742 327 K HN 0.599 nan 8.250 nan 0.000 0.458 328 S N -0.923 114.843 115.700 0.110 0.000 2.604 328 S HA 0.065 4.536 4.470 0.001 0.000 0.235 328 S C 0.069 174.852 174.600 0.304 0.000 1.043 328 S CA -0.586 57.748 58.200 0.223 0.000 0.997 328 S CB 0.114 63.317 63.200 0.006 0.000 0.956 328 S HN 0.119 nan 8.310 nan 0.000 0.535 329 N N 3.316 122.184 118.700 0.280 0.000 2.666 329 N HA -0.091 4.650 4.740 0.001 0.000 0.274 329 N C -1.811 173.869 175.510 0.283 0.000 1.043 329 N CA 1.060 54.304 53.050 0.324 0.000 0.782 329 N CB -0.591 38.160 38.487 0.440 0.000 0.912 329 N HN 0.442 nan 8.380 nan 0.000 0.556 330 P HA -0.129 nan 4.420 nan 0.000 0.218 330 P C 1.475 178.897 177.300 0.202 0.000 1.149 330 P CA 1.614 64.778 63.100 0.106 0.000 0.817 330 P CB 0.057 31.711 31.700 -0.076 0.000 0.785 331 G N -0.359 108.534 108.800 0.155 0.000 2.408 331 G HA2 -0.217 3.743 3.960 0.001 0.000 0.217 331 G HA3 -0.217 3.743 3.960 0.001 0.000 0.217 331 G C 1.521 176.540 174.900 0.197 0.000 1.150 331 G CA 0.530 45.736 45.100 0.176 0.000 0.776 331 G HN 0.313 nan 8.290 nan 0.000 0.542 332 H N -1.349 117.893 119.070 0.286 0.000 2.462 332 H HA -0.015 4.541 4.556 0.001 0.000 0.292 332 H C 2.027 177.525 175.328 0.283 0.000 1.049 332 H CA 0.930 57.121 56.048 0.238 0.000 1.334 332 H CB -0.209 29.654 29.762 0.169 0.000 1.404 332 H HN 0.511 nan 8.280 nan 0.000 0.544 333 Y N 1.589 122.079 120.300 0.315 0.000 2.145 333 Y HA -0.175 4.375 4.550 0.001 0.000 0.286 333 Y C 2.287 178.366 175.900 0.298 0.000 1.145 333 Y CA 1.250 59.524 58.100 0.291 0.000 1.148 333 Y CB -0.540 38.079 38.460 0.266 0.000 0.981 333 Y HN 0.007 nan 8.280 nan 0.000 0.507 334 L N -0.420 121.009 121.223 0.343 0.000 2.156 334 L HA -0.079 4.261 4.340 0.001 0.000 0.208 334 L C 2.676 179.755 176.870 0.348 0.000 1.095 334 L CA 1.044 56.039 54.840 0.258 0.000 0.770 334 L CB -1.055 41.132 42.059 0.213 0.000 0.914 334 L HN 0.420 nan 8.230 nan 0.000 0.439 335 G N -1.025 108.013 108.800 0.396 0.000 2.402 335 G HA2 -0.322 3.638 3.960 0.001 0.000 0.216 335 G HA3 -0.322 3.638 3.960 0.001 0.000 0.216 335 G C 1.356 176.372 174.900 0.193 0.000 1.162 335 G CA 0.868 46.124 45.100 0.260 0.000 0.777 335 G HN 0.410 nan 8.290 nan 0.000 0.539 336 H N 0.008 119.146 119.070 0.114 0.000 2.352 336 H HA -0.012 4.545 4.556 0.001 0.000 0.299 336 H C 2.326 177.718 175.328 0.106 0.000 1.097 336 H CA 1.449 57.552 56.048 0.091 0.000 1.311 336 H CB -0.151 29.633 29.762 0.036 0.000 1.377 336 H HN 0.228 nan 8.280 nan 0.000 0.504 337 L N 0.119 121.304 121.223 -0.064 0.000 2.007 337 L HA -0.040 4.300 4.340 0.001 0.000 0.205 337 L C 2.590 179.472 176.870 0.019 0.000 1.073 337 L CA 1.445 56.248 54.840 -0.060 0.000 0.744 337 L CB -0.833 41.195 42.059 -0.051 0.000 0.898 337 L HN 0.395 nan 8.230 nan 0.000 0.435 338 I N -0.773 119.837 120.570 0.066 0.000 2.264 338 I HA -0.220 3.951 4.170 0.001 0.000 0.248 338 I C 1.997 177.992 176.117 -0.203 0.000 1.111 338 I CA 1.471 62.714 61.300 -0.094 0.000 1.382 338 I CB -0.705 37.369 38.000 0.122 0.000 1.060 338 I HN 0.375 nan 8.210 nan 0.000 0.418 339 G N -1.096 107.649 108.800 -0.091 0.000 3.141 339 G HA2 -0.054 3.907 3.960 0.001 0.000 0.218 339 G HA3 -0.054 3.907 3.960 0.001 0.000 0.218 339 G C 0.569 175.349 174.900 -0.201 0.000 1.170 339 G CA -0.229 44.796 45.100 -0.125 0.000 0.769 339 G HN 0.295 nan 8.290 nan 0.000 0.546 340 H N 1.017 119.911 119.070 -0.294 0.000 2.815 340 H HA 0.110 4.666 4.556 0.001 0.000 0.350 340 H C 0.260 175.261 175.328 -0.545 0.000 1.080 340 H CA 0.770 56.597 56.048 -0.369 0.000 1.433 340 H CB 0.913 30.529 29.762 -0.244 0.000 1.432 340 H HN 0.304 nan 8.280 nan 0.000 0.592 341 E N 2.506 122.059 120.200 -1.078 0.000 2.603 341 E HA 0.183 4.534 4.350 0.001 0.000 0.211 341 E C 0.805 177.265 176.600 -0.233 0.000 0.995 341 E CA -0.378 55.608 56.400 -0.689 0.000 0.990 341 E CB 0.976 30.102 29.700 -0.957 0.000 1.036 341 E HN 0.635 nan 8.360 nan 0.000 0.475 342 G N 2.416 111.307 108.800 0.152 0.000 2.588 342 G HA2 0.281 4.242 3.960 0.001 0.000 0.281 342 G HA3 0.281 4.242 3.960 0.001 0.000 0.281 342 G C -2.598 172.424 174.900 0.203 0.000 1.236 342 G CA -1.240 44.040 45.100 0.300 0.000 0.969 342 G HN -0.157 nan 8.290 nan 0.000 0.504 343 P HA 0.178 nan 4.420 nan 0.000 0.265 343 P C 0.928 178.316 177.300 0.147 0.000 1.187 343 P CA 1.618 64.803 63.100 0.141 0.000 0.766 343 P CB 0.894 32.675 31.700 0.134 0.000 0.820 344 G N 1.343 110.236 108.800 0.155 0.000 2.199 344 G HA2 -0.253 3.707 3.960 0.001 0.000 0.254 344 G HA3 -0.253 3.707 3.960 0.001 0.000 0.254 344 G C 0.435 175.534 174.900 0.332 0.000 0.982 344 G CA 0.344 45.573 45.100 0.216 0.000 0.632 344 G HN 0.814 nan 8.290 nan 0.000 0.529 345 S N -0.136 115.699 115.700 0.225 0.000 2.600 345 S HA 0.573 5.043 4.470 0.001 0.000 0.265 345 S C 1.531 176.198 174.600 0.111 0.000 1.325 345 S CA 0.175 58.443 58.200 0.114 0.000 1.002 345 S CB 1.635 64.838 63.200 0.005 0.000 0.921 345 S HN 1.242 nan 8.310 nan 0.000 0.554 346 L N 1.467 122.485 121.223 -0.341 0.000 2.046 346 L HA 0.004 4.344 4.340 0.001 0.000 0.208 346 L C 2.154 179.015 176.870 -0.015 0.000 1.077 346 L CA 1.550 56.202 54.840 -0.313 0.000 0.747 346 L CB -0.822 40.786 42.059 -0.751 0.000 0.896 346 L HN 0.875 nan 8.230 nan 0.000 0.432 347 L N -1.281 119.876 121.223 -0.110 0.000 1.994 347 L HA -0.231 4.109 4.340 0.001 0.000 0.208 347 L C 2.488 179.356 176.870 -0.003 0.000 1.071 347 L CA 1.950 56.750 54.840 -0.068 0.000 0.745 347 L CB -0.480 41.498 42.059 -0.135 0.000 0.892 347 L HN 0.367 nan 8.230 nan 0.000 0.431 348 S N -0.173 115.539 115.700 0.019 0.000 2.372 348 S HA -0.281 4.189 4.470 0.001 0.000 0.227 348 S C 1.715 176.337 174.600 0.037 0.000 1.044 348 S CA 1.984 60.206 58.200 0.037 0.000 1.050 348 S CB -0.237 63.005 63.200 0.070 0.000 0.901 348 S HN 0.469 nan 8.310 nan 0.000 0.447 349 E N 1.210 121.476 120.200 0.109 0.000 2.107 349 E HA 0.018 4.368 4.350 0.001 0.000 0.191 349 E C 1.864 178.432 176.600 -0.053 0.000 0.982 349 E CA 0.884 57.307 56.400 0.039 0.000 0.809 349 E CB -0.380 29.385 29.700 0.108 0.000 0.756 349 E HN 0.490 nan 8.360 nan 0.000 0.459 350 L N 0.310 121.551 121.223 0.031 0.000 2.141 350 L HA -0.086 4.255 4.340 0.001 0.000 0.209 350 L C 2.630 179.468 176.870 -0.054 0.000 1.094 350 L CA 1.289 56.130 54.840 0.003 0.000 0.763 350 L CB -0.368 41.753 42.059 0.103 0.000 0.908 350 L HN 0.121 nan 8.230 nan 0.000 0.437 351 K N -0.280 120.093 120.400 -0.044 0.000 2.116 351 K HA -0.092 4.228 4.320 0.001 0.000 0.203 351 K C 2.268 178.806 176.600 -0.103 0.000 1.052 351 K CA 1.066 57.324 56.287 -0.048 0.000 0.952 351 K CB 0.134 32.619 32.500 -0.025 0.000 0.729 351 K HN 0.062 nan 8.250 nan 0.000 0.446 352 S N 1.094 116.718 115.700 -0.127 0.000 2.399 352 S HA -0.057 4.413 4.470 0.001 0.000 0.231 352 S C 1.360 175.799 174.600 -0.269 0.000 1.022 352 S CA 1.134 59.241 58.200 -0.156 0.000 0.983 352 S CB -0.010 63.108 63.200 -0.136 0.000 0.803 352 S HN 0.315 nan 8.310 nan 0.000 0.480 353 K N 0.333 120.462 120.400 -0.452 0.000 2.525 353 K HA 0.113 4.433 4.320 0.001 0.000 0.192 353 K C 1.196 177.374 176.600 -0.704 0.000 1.029 353 K CA 0.587 56.392 56.287 -0.802 0.000 1.029 353 K CB -0.091 31.447 32.500 -1.604 0.000 0.814 353 K HN 0.432 nan 8.250 nan 0.000 0.503 354 G N 1.149 109.745 108.800 -0.340 0.000 2.176 354 G HA2 -0.185 3.776 3.960 0.001 0.000 0.252 354 G HA3 -0.185 3.776 3.960 0.001 0.000 0.252 354 G C 0.245 175.187 174.900 0.070 0.000 1.024 354 G CA 0.093 45.121 45.100 -0.121 0.000 0.755 354 G HN 0.310 nan 8.290 nan 0.000 0.507 355 W N -1.063 120.196 121.300 -0.070 0.000 2.683 355 W HA 0.528 5.188 4.660 0.001 0.000 0.267 355 W C 1.178 177.670 176.519 -0.044 0.000 1.243 355 W CA 0.661 57.971 57.345 -0.058 0.000 1.380 355 W CB -0.221 29.191 29.460 -0.080 0.000 1.063 355 W HN 0.791 nan 8.180 nan 0.000 0.599 356 V N -1.018 119.000 119.914 0.173 0.000 3.159 356 V HA 0.530 4.650 4.120 0.001 0.000 0.308 356 V C 0.182 176.296 176.094 0.033 0.000 1.190 356 V CA -0.718 61.629 62.300 0.078 0.000 1.037 356 V CB 2.134 33.987 31.823 0.051 0.000 1.060 356 V HN -0.105 nan 8.190 nan 0.000 0.437 357 N N 0.872 119.578 118.700 0.011 0.000 2.516 357 N HA 0.172 4.912 4.740 0.001 0.000 0.197 357 N C 0.557 176.056 175.510 -0.019 0.000 1.064 357 N CA 1.225 54.275 53.050 0.000 0.000 0.866 357 N CB 0.794 39.285 38.487 0.008 0.000 1.255 357 N HN 1.031 nan 8.380 nan 0.000 0.447 358 T N -1.262 113.274 114.554 -0.029 0.000 2.901 358 T HA 0.738 5.089 4.350 0.001 0.000 0.293 358 T C -0.741 173.920 174.700 -0.064 0.000 1.084 358 T CA -0.773 61.299 62.100 -0.047 0.000 1.008 358 T CB 2.477 71.323 68.868 -0.037 0.000 1.170 358 T HN 0.009 nan 8.240 nan 0.000 0.509 359 L N 1.013 122.187 121.223 -0.081 0.000 2.505 359 L HA 0.807 5.148 4.340 0.001 0.000 0.259 359 L C -1.947 174.871 176.870 -0.087 0.000 0.952 359 L CA -0.865 53.920 54.840 -0.092 0.000 0.840 359 L CB 2.041 44.032 42.059 -0.112 0.000 1.358 359 L HN 0.725 nan 8.230 nan 0.000 0.409 360 V N 2.893 122.762 119.914 -0.075 0.000 2.638 360 V HA 0.917 5.038 4.120 0.001 0.000 0.306 360 V C 0.073 176.125 176.094 -0.071 0.000 1.052 360 V CA -0.149 62.115 62.300 -0.060 0.000 0.885 360 V CB 1.619 33.421 31.823 -0.035 0.000 0.999 360 V HN 0.904 nan 8.190 nan 0.000 0.424 361 G N 1.398 110.148 108.800 -0.084 0.000 2.660 361 G HA2 0.902 4.863 3.960 0.001 0.000 0.294 361 G HA3 0.902 4.863 3.960 0.001 0.000 0.294 361 G C -0.371 174.397 174.900 -0.221 0.000 1.369 361 G CA -0.071 44.952 45.100 -0.129 0.000 0.912 361 G HN 1.468 nan 8.290 nan 0.000 0.479 362 G N -0.552 107.871 108.800 -0.629 0.000 2.346 362 G HA2 0.474 4.434 3.960 0.001 0.000 0.294 362 G HA3 0.474 4.434 3.960 0.001 0.000 0.294 362 G C -0.638 173.692 174.900 -0.949 0.000 1.294 362 G CA -0.139 44.532 45.100 -0.715 0.000 0.962 362 G HN 1.219 nan 8.290 nan 0.000 0.508 363 Q N -0.369 119.181 119.800 -0.417 0.000 2.259 363 Q HA 0.686 5.026 4.340 0.001 0.000 0.246 363 Q C -0.325 175.653 176.000 -0.037 0.000 0.920 363 Q CA -0.444 55.260 55.803 -0.165 0.000 0.895 363 Q CB 1.868 30.583 28.738 -0.038 0.000 1.220 363 Q HN 0.608 nan 8.270 nan 0.000 0.439 364 K N 2.053 122.508 120.400 0.093 0.000 2.345 364 K HA 0.218 4.539 4.320 0.001 0.000 0.255 364 K C -0.740 176.001 176.600 0.235 0.000 0.934 364 K CA -0.515 55.868 56.287 0.159 0.000 0.801 364 K CB 1.624 34.237 32.500 0.188 0.000 1.137 364 K HN 0.686 nan 8.250 nan 0.000 0.424 365 E N 1.490 121.782 120.200 0.154 0.000 2.436 365 E HA 0.004 4.355 4.350 0.001 0.000 0.262 365 E C 0.213 176.916 176.600 0.171 0.000 1.063 365 E CA 0.430 56.889 56.400 0.098 0.000 0.944 365 E CB 1.178 30.911 29.700 0.055 0.000 0.950 365 E HN 0.894 nan 8.360 nan 0.000 0.444 366 G N 0.538 109.272 108.800 -0.109 0.000 2.465 366 G HA2 0.577 4.537 3.960 0.001 0.000 0.178 366 G HA3 0.577 4.537 3.960 0.001 0.000 0.178 366 G C -0.536 173.983 174.900 -0.636 0.000 1.591 366 G CA 0.648 45.532 45.100 -0.360 0.000 0.689 366 G HN 0.728 nan 8.290 nan 0.000 0.708 367 A N -1.113 121.067 122.820 -1.066 0.000 2.490 367 A HA 0.612 4.932 4.320 0.001 0.000 0.292 367 A C -1.034 176.341 177.584 -0.348 0.000 1.047 367 A CA -0.748 50.969 52.037 -0.533 0.000 0.632 367 A CB 0.232 18.939 19.000 -0.489 0.000 1.323 367 A HN 0.272 nan 8.150 nan 0.000 0.448 368 R N 0.382 120.914 120.500 0.054 0.000 2.549 368 R HA 0.294 4.634 4.340 0.001 0.000 0.336 368 R C 1.250 177.622 176.300 0.120 0.000 0.891 368 R CA 1.633 57.789 56.100 0.093 0.000 1.102 368 R CB -0.501 29.855 30.300 0.094 0.000 0.899 368 R HN 2.090 nan 8.270 nan 0.000 0.407 369 G N 2.462 111.293 108.800 0.052 0.000 2.278 369 G HA2 -0.240 3.720 3.960 0.001 0.000 0.210 369 G HA3 -0.240 3.720 3.960 0.001 0.000 0.210 369 G C -0.230 174.779 174.900 0.181 0.000 1.000 369 G CA 0.007 45.194 45.100 0.144 0.000 0.635 369 G HN 0.626 nan 8.290 nan 0.000 0.495 370 F N -0.768 119.125 119.950 -0.096 0.000 2.641 370 F HA 0.884 5.411 4.527 0.001 0.000 0.308 370 F C -0.708 174.844 175.800 -0.413 0.000 1.105 370 F CA -1.637 56.177 58.000 -0.310 0.000 0.964 370 F CB 1.005 39.561 39.000 -0.740 0.000 1.294 370 F HN 0.135 nan 8.300 nan 0.000 0.442 371 M N 1.954 121.404 119.600 -0.250 0.000 2.779 371 M HA 0.683 5.164 4.480 0.001 0.000 0.277 371 M C -1.796 174.277 176.300 -0.379 0.000 1.284 371 M CA -0.635 54.470 55.300 -0.325 0.000 0.801 371 M CB 2.990 35.562 32.600 -0.045 0.000 1.712 371 M HN 0.661 nan 8.290 nan 0.000 0.453 372 F N -0.285 119.808 119.950 0.238 0.000 2.620 372 F HA 0.673 5.200 4.527 0.001 0.000 0.320 372 F C -1.099 174.872 175.800 0.285 0.000 1.069 372 F CA -0.730 57.449 58.000 0.297 0.000 0.953 372 F CB 1.535 40.686 39.000 0.251 0.000 1.322 372 F HN 0.295 nan 8.300 nan 0.000 0.479 373 F N 3.246 123.454 119.950 0.430 0.000 2.507 373 F HA 0.735 5.262 4.527 0.001 0.000 0.328 373 F C -0.980 175.044 175.800 0.373 0.000 1.136 373 F CA -1.085 57.108 58.000 0.321 0.000 0.930 373 F CB 1.034 40.182 39.000 0.247 0.000 1.166 373 F HN 0.340 nan 8.300 nan 0.000 0.436 374 I N 3.901 124.431 120.570 -0.068 0.000 2.957 374 I HA 0.713 4.883 4.170 0.001 0.000 0.310 374 I C -1.323 174.803 176.117 0.015 0.000 1.063 374 I CA -1.233 60.112 61.300 0.075 0.000 1.033 374 I CB 2.121 40.145 38.000 0.040 0.000 1.230 374 I HN 0.462 nan 8.210 nan 0.000 0.447 375 I N 3.422 124.040 120.570 0.080 0.000 2.560 375 I HA 0.374 4.544 4.170 0.001 0.000 0.278 375 I C -1.277 174.827 176.117 -0.022 0.000 1.089 375 I CA -0.410 60.908 61.300 0.029 0.000 1.086 375 I CB 1.041 39.083 38.000 0.069 0.000 1.202 375 I HN 0.532 nan 8.210 nan 0.000 0.471 376 N N 5.705 124.380 118.700 -0.043 0.000 2.362 376 N HA 0.705 5.445 4.740 0.001 0.000 0.298 376 N C -0.662 174.753 175.510 -0.157 0.000 1.048 376 N CA -0.461 52.522 53.050 -0.111 0.000 0.858 376 N CB 2.959 41.441 38.487 -0.009 0.000 1.218 376 N HN 0.364 nan 8.380 nan 0.000 0.488 377 V N -1.786 117.989 119.914 -0.232 0.000 3.078 377 V HA 0.650 4.771 4.120 0.001 0.000 0.311 377 V C -0.612 175.363 176.094 -0.198 0.000 1.138 377 V CA -1.140 61.060 62.300 -0.166 0.000 1.007 377 V CB 2.154 33.914 31.823 -0.104 0.000 1.045 377 V HN 0.612 nan 8.190 nan 0.000 0.432 378 D N 2.125 122.454 120.400 -0.119 0.000 2.387 378 D HA 0.599 5.239 4.640 0.001 0.000 0.251 378 D C -0.507 175.759 176.300 -0.058 0.000 1.141 378 D CA -0.567 53.376 54.000 -0.094 0.000 0.987 378 D CB 1.784 42.556 40.800 -0.046 0.000 1.116 378 D HN 0.666 nan 8.370 nan 0.000 0.491 379 L N -0.073 121.127 121.223 -0.039 0.000 2.381 379 L HA 0.425 4.766 4.340 0.001 0.000 0.268 379 L C 0.680 177.558 176.870 0.013 0.000 0.997 379 L CA -0.942 53.892 54.840 -0.010 0.000 0.818 379 L CB 2.216 44.258 42.059 -0.029 0.000 1.310 379 L HN 0.614 nan 8.230 nan 0.000 0.416 380 T N -2.955 111.628 114.554 0.048 0.000 2.824 380 T HA 0.248 4.599 4.350 0.001 0.000 0.277 380 T C 0.837 175.565 174.700 0.047 0.000 0.975 380 T CA -0.635 61.498 62.100 0.055 0.000 0.966 380 T CB 1.160 70.083 68.868 0.092 0.000 1.054 380 T HN 0.649 nan 8.240 nan 0.000 0.533 381 E N 0.080 120.306 120.200 0.043 0.000 2.085 381 E HA -0.165 4.185 4.350 0.001 0.000 0.194 381 E C 2.146 178.784 176.600 0.063 0.000 0.994 381 E CA 1.033 57.452 56.400 0.032 0.000 0.801 381 E CB -0.000 29.716 29.700 0.027 0.000 0.743 381 E HN 0.585 nan 8.360 nan 0.000 0.453 382 E N 0.082 120.355 120.200 0.121 0.000 2.107 382 E HA -0.091 4.260 4.350 0.001 0.000 0.191 382 E C 2.209 178.925 176.600 0.193 0.000 0.982 382 E CA 0.884 57.410 56.400 0.209 0.000 0.809 382 E CB -0.312 29.554 29.700 0.276 0.000 0.756 382 E HN 0.336 nan 8.360 nan 0.000 0.459 383 G N 1.294 110.180 108.800 0.143 0.000 2.432 383 G HA2 -0.241 3.720 3.960 0.001 0.000 0.219 383 G HA3 -0.241 3.720 3.960 0.001 0.000 0.219 383 G C 1.596 176.440 174.900 -0.093 0.000 1.135 383 G CA 0.654 45.736 45.100 -0.031 0.000 0.767 383 G HN 0.251 nan 8.290 nan 0.000 0.550 384 L N 0.248 121.452 121.223 -0.031 0.000 2.191 384 L HA 0.149 4.490 4.340 0.001 0.000 0.212 384 L C 2.362 179.193 176.870 -0.065 0.000 1.103 384 L CA 1.279 56.088 54.840 -0.051 0.000 0.769 384 L CB -0.182 41.840 42.059 -0.062 0.000 0.908 384 L HN 0.209 nan 8.230 nan 0.000 0.438 385 L N -1.728 119.461 121.223 -0.057 0.000 2.509 385 L HA 0.001 4.341 4.340 0.001 0.000 0.222 385 L C 0.594 177.250 176.870 -0.357 0.000 1.123 385 L CA 0.180 54.937 54.840 -0.140 0.000 0.856 385 L CB -0.297 41.708 42.059 -0.090 0.000 0.985 385 L HN 0.305 nan 8.230 nan 0.000 0.456 386 H N -1.974 116.901 119.070 -0.324 0.000 2.505 386 H HA 0.163 4.720 4.556 0.001 0.000 0.260 386 H C 1.373 176.412 175.328 -0.483 0.000 1.168 386 H CA -0.223 55.510 56.048 -0.525 0.000 0.945 386 H CB 0.451 29.518 29.762 -1.159 0.000 1.800 386 H HN -0.138 nan 8.280 nan 0.000 0.586 387 V N 0.078 119.894 119.914 -0.162 0.000 2.332 387 V HA -0.272 3.848 4.120 0.001 0.000 0.248 387 V C 2.395 178.523 176.094 0.057 0.000 1.055 387 V CA 2.280 64.546 62.300 -0.058 0.000 1.038 387 V CB -0.055 31.786 31.823 0.029 0.000 0.651 387 V HN 0.619 nan 8.190 nan 0.000 0.450 388 E N -0.128 120.146 120.200 0.124 0.000 2.077 388 E HA -0.257 4.093 4.350 0.001 0.000 0.193 388 E C 1.849 178.670 176.600 0.368 0.000 0.989 388 E CA 1.535 58.144 56.400 0.349 0.000 0.800 388 E CB -0.058 29.769 29.700 0.212 0.000 0.746 388 E HN 0.597 nan 8.360 nan 0.000 0.452 389 D N 0.417 120.908 120.400 0.151 0.000 2.117 389 D HA -0.128 4.512 4.640 0.001 0.000 0.198 389 D C 2.067 178.525 176.300 0.262 0.000 0.982 389 D CA 0.831 54.965 54.000 0.223 0.000 0.828 389 D CB -0.153 40.681 40.800 0.057 0.000 0.967 389 D HN 0.313 nan 8.370 nan 0.000 0.464 390 I N 0.882 121.425 120.570 -0.046 0.000 2.163 390 I HA -0.255 3.916 4.170 0.001 0.000 0.243 390 I C 2.399 178.584 176.117 0.113 0.000 1.085 390 I CA 0.915 62.247 61.300 0.053 0.000 1.347 390 I CB -0.188 37.773 38.000 -0.064 0.000 1.044 390 I HN -0.034 nan 8.210 nan 0.000 0.408 391 I N 0.114 120.689 120.570 0.008 0.000 2.286 391 I HA -0.279 3.891 4.170 0.001 0.000 0.248 391 I C 2.513 178.531 176.117 -0.166 0.000 1.115 391 I CA 0.921 62.073 61.300 -0.246 0.000 1.392 391 I CB -0.275 37.388 38.000 -0.561 0.000 1.065 391 I HN 0.260 nan 8.210 nan 0.000 0.418 392 L N 0.558 121.882 121.223 0.168 0.000 2.012 392 L HA -0.261 4.080 4.340 0.001 0.000 0.210 392 L C 2.579 179.648 176.870 0.331 0.000 1.073 392 L CA 2.056 57.117 54.840 0.368 0.000 0.748 392 L CB -0.979 41.379 42.059 0.499 0.000 0.891 392 L HN 0.263 nan 8.230 nan 0.000 0.431 393 H N -1.197 118.047 119.070 0.289 0.000 2.421 393 H HA -0.123 4.433 4.556 0.001 0.000 0.298 393 H C 2.216 177.658 175.328 0.189 0.000 1.087 393 H CA 1.858 58.138 56.048 0.388 0.000 1.330 393 H CB 0.011 30.068 29.762 0.492 0.000 1.388 393 H HN 0.422 nan 8.280 nan 0.000 0.526 394 M N -0.245 119.421 119.600 0.110 0.000 2.086 394 M HA -0.167 4.314 4.480 0.001 0.000 0.261 394 M C 1.931 178.132 176.300 -0.164 0.000 1.067 394 M CA 1.667 56.881 55.300 -0.143 0.000 1.116 394 M CB -0.304 32.086 32.600 -0.350 0.000 1.348 394 M HN 0.124 nan 8.290 nan 0.000 0.407 395 F N 0.174 120.146 119.950 0.036 0.000 2.325 395 F HA -0.166 4.361 4.527 0.001 0.000 0.299 395 F C 2.514 178.356 175.800 0.071 0.000 1.090 395 F CA 0.904 58.931 58.000 0.045 0.000 1.392 395 F CB -0.237 38.788 39.000 0.042 0.000 1.053 395 F HN 0.214 nan 8.300 nan 0.000 0.521 396 Q N -1.047 118.914 119.800 0.269 0.000 2.123 396 Q HA -0.225 4.115 4.340 0.001 0.000 0.199 396 Q C 1.866 177.964 176.000 0.163 0.000 0.966 396 Q CA 1.504 57.458 55.803 0.251 0.000 0.845 396 Q CB -0.374 28.570 28.738 0.344 0.000 0.907 396 Q HN 0.534 nan 8.270 nan 0.000 0.439 397 Y N 1.033 121.233 120.300 -0.167 0.000 2.200 397 Y HA -0.151 4.399 4.550 0.001 0.000 0.290 397 Y C 1.864 177.672 175.900 -0.153 0.000 1.137 397 Y CA 1.152 59.013 58.100 -0.399 0.000 1.163 397 Y CB 0.024 38.035 38.460 -0.749 0.000 0.988 397 Y HN -0.003 nan 8.280 nan 0.000 0.518 398 I N -0.010 120.575 120.570 0.026 0.000 2.286 398 I HA -0.292 3.879 4.170 0.001 0.000 0.248 398 I C 2.291 178.391 176.117 -0.028 0.000 1.115 398 I CA 1.534 62.834 61.300 0.000 0.000 1.392 398 I CB -0.320 37.703 38.000 0.037 0.000 1.065 398 I HN 0.255 nan 8.210 nan 0.000 0.418 399 Q N 1.456 121.272 119.800 0.026 0.000 2.167 399 Q HA -0.229 4.111 4.340 0.001 0.000 0.202 399 Q C 1.976 177.960 176.000 -0.026 0.000 0.970 399 Q CA 1.637 57.456 55.803 0.027 0.000 0.855 399 Q CB -0.138 28.647 28.738 0.078 0.000 0.911 399 Q HN 0.168 nan 8.270 nan 0.000 0.438 400 K N -0.094 120.256 120.400 -0.084 0.000 2.097 400 K HA -0.056 4.265 4.320 0.001 0.000 0.206 400 K C 1.785 178.291 176.600 -0.157 0.000 1.049 400 K CA 1.343 57.557 56.287 -0.123 0.000 0.933 400 K CB -0.453 31.923 32.500 -0.207 0.000 0.717 400 K HN 0.354 nan 8.250 nan 0.000 0.442 401 L N -0.059 121.029 121.223 -0.226 0.000 2.093 401 L HA -0.086 4.255 4.340 0.001 0.000 0.208 401 L C 2.661 179.508 176.870 -0.039 0.000 1.085 401 L CA 1.232 55.993 54.840 -0.131 0.000 0.755 401 L CB -0.362 41.630 42.059 -0.113 0.000 0.904 401 L HN 0.186 nan 8.230 nan 0.000 0.435 402 R N -0.101 120.375 120.500 -0.040 0.000 2.081 402 R HA -0.149 4.192 4.340 0.001 0.000 0.235 402 R C 2.414 178.710 176.300 -0.006 0.000 1.131 402 R CA 1.420 57.509 56.100 -0.019 0.000 0.960 402 R CB -0.349 29.941 30.300 -0.016 0.000 0.856 402 R HN 0.358 nan 8.270 nan 0.000 0.436 403 A N 1.077 123.894 122.820 -0.006 0.000 1.873 403 A HA -0.145 4.176 4.320 0.001 0.000 0.215 403 A C 1.821 179.415 177.584 0.017 0.000 1.186 403 A CA 1.263 53.303 52.037 0.006 0.000 0.616 403 A CB -0.196 18.809 19.000 0.009 0.000 0.823 403 A HN 0.177 nan 8.150 nan 0.000 0.442 404 E N -0.658 119.554 120.200 0.021 0.000 2.285 404 E HA 0.206 4.557 4.350 0.001 0.000 0.194 404 E C 1.208 177.848 176.600 0.066 0.000 0.997 404 E CA 0.717 57.146 56.400 0.049 0.000 0.845 404 E CB -0.617 29.120 29.700 0.061 0.000 0.782 404 E HN 0.768 nan 8.360 nan 0.000 0.491 405 G N 2.632 111.463 108.800 0.052 0.000 2.819 405 G HA2 -0.189 3.771 3.960 0.001 0.000 0.682 405 G HA3 -0.189 3.771 3.960 0.001 0.000 0.682 405 G C -2.491 172.473 174.900 0.108 0.000 1.481 405 G CA -0.509 44.624 45.100 0.055 0.000 0.904 405 G HN -0.025 nan 8.290 nan 0.000 0.563 406 P HA 0.179 nan 4.420 nan 0.000 0.264 406 P C -0.387 177.084 177.300 0.284 0.000 1.183 406 P CA 0.470 63.659 63.100 0.149 0.000 0.763 406 P CB 0.778 32.432 31.700 -0.078 0.000 0.807 407 Q N 1.440 121.445 119.800 0.342 0.000 2.431 407 Q HA 0.117 4.458 4.340 0.001 0.000 0.249 407 Q C 1.108 177.016 176.000 -0.154 0.000 1.025 407 Q CA -0.060 55.836 55.803 0.155 0.000 0.835 407 Q CB 0.653 29.431 28.738 0.066 0.000 1.207 407 Q HN 0.445 nan 8.270 nan 0.000 0.490 408 E N 4.163 124.131 120.200 -0.386 0.000 2.110 408 E HA -0.166 4.184 4.350 0.001 0.000 0.193 408 E C 1.005 177.394 176.600 -0.352 0.000 0.988 408 E CA 1.451 57.274 56.400 -0.962 0.000 0.804 408 E CB 0.027 29.296 29.700 -0.719 0.000 0.745 408 E HN 0.866 nan 8.360 nan 0.000 0.458 409 W N 0.269 121.496 121.300 -0.121 0.000 2.374 409 W HA -0.140 4.521 4.660 0.001 0.000 0.288 409 W C 1.420 177.959 176.519 0.034 0.000 1.218 409 W CA 0.597 57.926 57.345 -0.027 0.000 1.245 409 W CB -0.975 28.486 29.460 0.003 0.000 1.126 409 W HN -0.072 nan 8.180 nan 0.000 0.545 410 V N 1.712 121.064 119.914 -0.936 0.000 2.261 410 V HA -0.317 3.803 4.120 0.001 0.000 0.246 410 V C 2.385 178.349 176.094 -0.217 0.000 1.047 410 V CA 2.449 64.270 62.300 -0.797 0.000 1.015 410 V CB -1.406 30.007 31.823 -0.684 0.000 0.642 410 V HN 0.147 nan 8.190 nan 0.000 0.446 411 F N 1.010 120.847 119.950 -0.188 0.000 2.095 411 F HA -0.290 4.237 4.527 0.001 0.000 0.298 411 F C 2.563 178.308 175.800 -0.091 0.000 1.104 411 F CA 2.419 60.382 58.000 -0.062 0.000 1.232 411 F CB -0.330 38.596 39.000 -0.123 0.000 0.987 411 F HN 0.137 nan 8.300 nan 0.000 0.475 412 Q N 0.835 120.635 119.800 -0.001 0.000 2.084 412 Q HA -0.243 4.097 4.340 0.001 0.000 0.202 412 Q C 2.235 178.197 176.000 -0.064 0.000 0.978 412 Q CA 2.192 57.982 55.803 -0.022 0.000 0.844 412 Q CB -0.541 28.244 28.738 0.079 0.000 0.898 412 Q HN 0.669 nan 8.270 nan 0.000 0.426 413 E N -1.283 118.907 120.200 -0.016 0.000 2.077 413 E HA -0.196 4.154 4.350 0.001 0.000 0.193 413 E C 1.808 178.367 176.600 -0.070 0.000 0.989 413 E CA 1.455 57.869 56.400 0.024 0.000 0.800 413 E CB -0.132 29.637 29.700 0.114 0.000 0.746 413 E HN 0.507 nan 8.360 nan 0.000 0.452 414 C N 0.746 119.932 119.300 -0.190 0.000 2.446 414 C HA -0.060 4.401 4.460 0.001 0.000 0.277 414 C C 2.622 177.470 174.990 -0.237 0.000 1.275 414 C CA 0.929 59.801 59.018 -0.243 0.000 1.727 414 C CB -0.783 26.742 27.740 -0.359 0.000 2.010 414 C HN 0.505 nan 8.230 nan 0.000 0.486 415 K N 1.093 121.276 120.400 -0.361 0.000 2.020 415 K HA -0.213 4.107 4.320 0.001 0.000 0.212 415 K C 1.521 178.040 176.600 -0.135 0.000 1.050 415 K CA 2.172 58.270 56.287 -0.315 0.000 0.929 415 K CB -0.282 31.977 32.500 -0.400 0.000 0.714 415 K HN 0.409 nan 8.250 nan 0.000 0.443 416 D N 0.569 120.917 120.400 -0.087 0.000 2.144 416 D HA -0.145 4.496 4.640 0.001 0.000 0.199 416 D C 1.933 178.239 176.300 0.009 0.000 0.984 416 D CA 0.734 54.721 54.000 -0.022 0.000 0.834 416 D CB -0.068 40.739 40.800 0.011 0.000 0.955 416 D HN 0.144 nan 8.370 nan 0.000 0.465 417 L N 1.292 122.522 121.223 0.011 0.000 2.056 417 L HA -0.095 4.246 4.340 0.001 0.000 0.207 417 L C 1.766 178.689 176.870 0.089 0.000 1.078 417 L CA 1.404 56.282 54.840 0.063 0.000 0.749 417 L CB -0.973 41.116 42.059 0.049 0.000 0.901 417 L HN -0.071 nan 8.230 nan 0.000 0.433 418 N N -0.317 118.410 118.700 0.044 0.000 2.166 418 N HA -0.115 4.625 4.740 0.001 0.000 0.186 418 N C 1.822 177.430 175.510 0.163 0.000 1.019 418 N CA 1.356 54.474 53.050 0.113 0.000 0.856 418 N CB -0.313 38.188 38.487 0.023 0.000 0.993 418 N HN 0.382 nan 8.380 nan 0.000 0.426 419 A N 0.295 123.153 122.820 0.063 0.000 1.898 419 A HA -0.064 4.256 4.320 0.001 0.000 0.216 419 A C 2.423 180.010 177.584 0.004 0.000 1.181 419 A CA 1.217 53.276 52.037 0.036 0.000 0.620 419 A CB -0.754 18.235 19.000 -0.018 0.000 0.819 419 A HN 0.101 nan 8.150 nan 0.000 0.442 420 V N -0.153 119.766 119.914 0.008 0.000 2.307 420 V HA -0.234 3.887 4.120 0.001 0.000 0.245 420 V C 3.072 179.246 176.094 0.133 0.000 1.045 420 V CA 1.925 64.210 62.300 -0.024 0.000 1.024 420 V CB -1.193 30.645 31.823 0.025 0.000 0.651 420 V HN 0.613 nan 8.190 nan 0.000 0.449 421 A N -0.522 122.453 122.820 0.259 0.000 1.908 421 A HA -0.257 4.063 4.320 0.001 0.000 0.218 421 A C 2.120 179.778 177.584 0.124 0.000 1.181 421 A CA 2.130 54.367 52.037 0.332 0.000 0.627 421 A CB -0.727 18.519 19.000 0.409 0.000 0.818 421 A HN 0.529 nan 8.150 nan 0.000 0.445 422 F N 0.486 120.336 119.950 -0.168 0.000 2.146 422 F HA -0.102 4.425 4.527 0.001 0.000 0.298 422 F C 2.333 177.887 175.800 -0.410 0.000 1.096 422 F CA 1.814 59.458 58.000 -0.594 0.000 1.275 422 F CB -0.304 38.391 39.000 -0.508 0.000 1.008 422 F HN 0.214 nan 8.300 nan 0.000 0.480 423 R N -0.469 119.777 120.500 -0.423 0.000 2.073 423 R HA -0.169 4.171 4.340 0.001 0.000 0.234 423 R C 1.393 177.271 176.300 -0.703 0.000 1.134 423 R CA 1.940 57.626 56.100 -0.690 0.000 0.952 423 R CB -0.627 29.144 30.300 -0.882 0.000 0.850 423 R HN 0.368 nan 8.270 nan 0.000 0.433 424 F N 1.173 121.035 119.950 -0.147 0.000 2.668 424 F HA 0.252 4.779 4.527 0.001 0.000 0.297 424 F C 0.390 176.139 175.800 -0.086 0.000 1.124 424 F CA -0.616 57.349 58.000 -0.058 0.000 1.353 424 F CB 0.279 39.348 39.000 0.116 0.000 0.992 424 F HN -0.119 nan 8.300 nan 0.000 0.524 425 K N 1.732 122.071 120.400 -0.102 0.000 2.524 425 K HA -0.059 4.262 4.320 0.001 0.000 0.279 425 K C -0.061 176.471 176.600 -0.113 0.000 0.993 425 K CA -0.088 56.114 56.287 -0.141 0.000 1.030 425 K CB 0.367 32.649 32.500 -0.363 0.000 0.891 425 K HN 0.029 nan 8.250 nan 0.000 0.488 426 D N 3.254 123.592 120.400 -0.102 0.000 2.372 426 D HA -0.004 4.637 4.640 0.001 0.000 0.243 426 D C -0.153 176.050 176.300 -0.161 0.000 1.121 426 D CA 0.137 54.053 54.000 -0.140 0.000 0.898 426 D CB 0.890 41.583 40.800 -0.178 0.000 1.202 426 D HN 0.388 nan 8.370 nan 0.000 0.428 427 K N 1.751 122.060 120.400 -0.152 0.000 2.379 427 K HA 0.024 4.345 4.320 0.001 0.000 0.284 427 K C -0.272 176.201 176.600 -0.212 0.000 1.044 427 K CA -0.262 55.922 56.287 -0.171 0.000 0.974 427 K CB 0.458 32.913 32.500 -0.074 0.000 0.962 427 K HN 0.184 nan 8.250 nan 0.000 0.474 428 E N 2.756 122.756 120.200 -0.334 0.000 2.371 428 E HA 0.143 4.494 4.350 0.001 0.000 0.257 428 E C -0.373 176.110 176.600 -0.196 0.000 1.134 428 E CA -0.374 55.850 56.400 -0.293 0.000 0.919 428 E CB 0.571 30.003 29.700 -0.447 0.000 1.025 428 E HN 0.383 nan 8.360 nan 0.000 0.438 429 R N 2.247 122.689 120.500 -0.096 0.000 2.438 429 R HA 0.088 4.428 4.340 0.001 0.000 0.287 429 R C -1.785 174.520 176.300 0.008 0.000 1.077 429 R CA -1.385 54.694 56.100 -0.035 0.000 1.034 429 R CB 0.032 30.325 30.300 -0.011 0.000 0.993 429 R HN 0.427 nan 8.270 nan 0.000 0.459 430 P HA -0.211 nan 4.420 nan 0.000 0.215 430 P C 1.243 178.580 177.300 0.062 0.000 1.163 430 P CA 1.326 64.470 63.100 0.073 0.000 0.894 430 P CB 0.068 31.792 31.700 0.040 0.000 0.791 431 R N -0.642 119.874 120.500 0.027 0.000 2.097 431 R HA -0.123 4.217 4.340 0.001 0.000 0.236 431 R C 2.446 178.712 176.300 -0.057 0.000 1.135 431 R CA 2.158 58.258 56.100 -0.000 0.000 0.934 431 R CB -1.345 28.994 30.300 0.064 0.000 0.846 431 R HN 0.201 nan 8.270 nan 0.000 0.431 432 G N -0.783 107.996 108.800 -0.036 0.000 2.432 432 G HA2 -0.301 3.659 3.960 0.001 0.000 0.219 432 G HA3 -0.301 3.659 3.960 0.001 0.000 0.219 432 G C 1.195 176.118 174.900 0.038 0.000 1.135 432 G CA 0.562 45.624 45.100 -0.065 0.000 0.767 432 G HN 0.380 nan 8.290 nan 0.000 0.550 433 Y N 2.689 122.951 120.300 -0.062 0.000 2.163 433 Y HA -0.171 4.379 4.550 0.001 0.000 0.288 433 Y C 3.212 179.093 175.900 -0.030 0.000 1.136 433 Y CA 1.915 60.000 58.100 -0.026 0.000 1.147 433 Y CB -0.727 37.731 38.460 -0.004 0.000 0.987 433 Y HN 0.300 nan 8.280 nan 0.000 0.509 434 T N -3.093 111.449 114.554 -0.020 0.000 2.746 434 T HA -0.205 4.145 4.350 0.001 0.000 0.267 434 T C 2.265 176.903 174.700 -0.104 0.000 1.039 434 T CA 1.545 63.568 62.100 -0.128 0.000 1.142 434 T CB -1.102 67.686 68.868 -0.134 0.000 0.866 434 T HN 0.308 nan 8.240 nan 0.000 0.444 435 S N 1.474 117.121 115.700 -0.089 0.000 2.370 435 S HA -0.173 4.297 4.470 0.001 0.000 0.226 435 S C 2.141 176.735 174.600 -0.010 0.000 1.033 435 S CA 1.842 60.007 58.200 -0.059 0.000 1.011 435 S CB -0.459 62.547 63.200 -0.323 0.000 0.852 435 S HN 0.530 nan 8.310 nan 0.000 0.457 436 K N 1.164 121.548 120.400 -0.027 0.000 2.025 436 K HA 0.119 4.439 4.320 0.001 0.000 0.207 436 K C 1.906 178.485 176.600 -0.036 0.000 1.049 436 K CA 1.702 57.989 56.287 0.000 0.000 0.933 436 K CB -0.748 31.770 32.500 0.030 0.000 0.714 436 K HN 0.518 nan 8.250 nan 0.000 0.438 437 I N 0.607 121.107 120.570 -0.116 0.000 2.226 437 I HA -0.240 3.930 4.170 0.001 0.000 0.245 437 I C 2.214 178.266 176.117 -0.109 0.000 1.100 437 I CA 1.162 62.376 61.300 -0.144 0.000 1.374 437 I CB -0.367 37.467 38.000 -0.278 0.000 1.057 437 I HN 0.277 nan 8.210 nan 0.000 0.413 438 A N 0.743 123.501 122.820 -0.103 0.000 1.940 438 A HA -0.169 4.152 4.320 0.001 0.000 0.219 438 A C 2.396 179.921 177.584 -0.099 0.000 1.176 438 A CA 2.016 53.987 52.037 -0.110 0.000 0.631 438 A CB -1.359 17.613 19.000 -0.047 0.000 0.814 438 A HN 0.482 nan 8.150 nan 0.000 0.446 439 G N 0.571 109.354 108.800 -0.028 0.000 2.394 439 G HA2 -0.103 3.857 3.960 0.001 0.000 0.215 439 G HA3 -0.103 3.857 3.960 0.001 0.000 0.215 439 G C 1.458 176.398 174.900 0.066 0.000 1.165 439 G CA 1.037 46.133 45.100 -0.007 0.000 0.784 439 G HN 0.835 nan 8.290 nan 0.000 0.535 440 I N -1.556 119.052 120.570 0.063 0.000 3.428 440 I HA 0.238 4.409 4.170 0.001 0.000 0.286 440 I C 2.090 178.285 176.117 0.129 0.000 1.287 440 I CA 0.278 61.685 61.300 0.179 0.000 1.396 440 I CB -0.166 37.975 38.000 0.236 0.000 1.062 440 I HN 0.004 nan 8.210 nan 0.000 0.471 441 L N 0.931 122.128 121.223 -0.043 0.000 2.353 441 L HA -0.138 4.203 4.340 0.001 0.000 0.220 441 L C 2.430 179.190 176.870 -0.184 0.000 1.133 441 L CA 0.860 55.623 54.840 -0.127 0.000 0.798 441 L CB -0.853 41.064 42.059 -0.237 0.000 0.922 441 L HN 0.411 nan 8.230 nan 0.000 0.445 442 H N -1.974 117.048 119.070 -0.079 0.000 2.529 442 H HA -0.025 4.532 4.556 0.001 0.000 0.277 442 H C 1.170 176.212 175.328 -0.476 0.000 0.999 442 H CA 1.044 56.944 56.048 -0.246 0.000 1.256 442 H CB 0.323 29.873 29.762 -0.354 0.000 1.402 442 H HN 0.396 nan 8.280 nan 0.000 0.566 443 Y N -1.622 118.521 120.300 -0.262 0.000 2.444 443 Y HA 0.147 4.697 4.550 0.001 0.000 0.252 443 Y C -0.173 175.178 175.900 -0.914 0.000 1.091 443 Y CA -0.272 57.441 58.100 -0.644 0.000 1.276 443 Y CB 0.682 38.536 38.460 -1.010 0.000 1.170 443 Y HN -0.065 nan 8.280 nan 0.000 0.517 444 Y N -0.593 119.710 120.300 0.004 0.000 2.545 444 Y HA 0.555 5.105 4.550 0.001 0.000 0.348 444 Y C -2.538 173.349 175.900 -0.022 0.000 1.002 444 Y CA -3.996 54.067 58.100 -0.063 0.000 1.039 444 Y CB 0.530 38.914 38.460 -0.127 0.000 1.271 444 Y HN -0.260 nan 8.280 nan 0.000 0.467 445 P HA 0.026 nan 4.420 nan 0.000 0.269 445 P C 0.697 178.041 177.300 0.073 0.000 1.215 445 P CA -0.203 62.954 63.100 0.094 0.000 0.780 445 P CB 0.723 32.485 31.700 0.102 0.000 0.898 446 L N 2.071 123.315 121.223 0.035 0.000 1.997 446 L HA -0.228 4.113 4.340 0.001 0.000 0.216 446 L C 1.856 178.735 176.870 0.015 0.000 1.074 446 L CA 2.232 57.081 54.840 0.015 0.000 0.763 446 L CB -1.946 40.115 42.059 0.004 0.000 0.890 446 L HN 0.456 nan 8.230 nan 0.000 0.434 447 E N -0.089 120.126 120.200 0.025 0.000 2.265 447 E HA -0.168 4.183 4.350 0.001 0.000 0.196 447 E C 1.846 178.447 176.600 0.002 0.000 0.996 447 E CA 0.811 57.224 56.400 0.022 0.000 0.832 447 E CB -0.131 29.596 29.700 0.043 0.000 0.756 447 E HN 0.576 nan 8.360 nan 0.000 0.491 448 E N -0.226 119.983 120.200 0.015 0.000 2.481 448 E HA -0.005 4.346 4.350 0.001 0.000 0.198 448 E C 1.784 178.341 176.600 -0.072 0.000 1.027 448 E CA 0.366 56.755 56.400 -0.019 0.000 0.900 448 E CB 0.485 30.209 29.700 0.042 0.000 0.993 448 E HN 0.231 nan 8.360 nan 0.000 0.482 449 V N -0.833 119.066 119.914 -0.026 0.000 2.469 449 V HA -0.250 3.871 4.120 0.001 0.000 0.251 449 V C 1.853 177.899 176.094 -0.079 0.000 1.064 449 V CA 1.337 63.625 62.300 -0.021 0.000 1.066 449 V CB -0.359 31.465 31.823 0.002 0.000 0.667 449 V HN 0.161 nan 8.190 nan 0.000 0.461 450 L N 1.547 122.713 121.223 -0.095 0.000 2.240 450 L HA 0.052 4.392 4.340 0.001 0.000 0.211 450 L C 2.695 179.515 176.870 -0.083 0.000 1.106 450 L CA 2.235 57.056 54.840 -0.032 0.000 0.793 450 L CB -0.911 41.113 42.059 -0.059 0.000 0.927 450 L HN 0.761 nan 8.230 nan 0.000 0.446 451 T N -5.287 109.103 114.554 -0.273 0.000 3.023 451 T HA 0.173 4.523 4.350 0.001 0.000 0.249 451 T C 1.973 176.458 174.700 -0.359 0.000 1.050 451 T CA 0.477 62.253 62.100 -0.540 0.000 1.088 451 T CB -0.200 68.350 68.868 -0.529 0.000 0.946 451 T HN 0.085 nan 8.240 nan 0.000 0.480 452 A N 2.547 125.148 122.820 -0.366 0.000 1.929 452 A HA -0.232 4.088 4.320 0.001 0.000 0.221 452 A C 2.045 179.376 177.584 -0.422 0.000 1.211 452 A CA 2.056 53.770 52.037 -0.539 0.000 0.657 452 A CB -0.837 17.279 19.000 -1.474 0.000 0.827 452 A HN 0.691 nan 8.150 nan 0.000 0.462 453 E N -3.125 116.856 120.200 -0.366 0.000 2.437 453 E HA 0.135 4.485 4.350 0.001 0.000 0.189 453 E C 0.472 176.962 176.600 -0.184 0.000 1.054 453 E CA -0.040 56.236 56.400 -0.207 0.000 0.874 453 E CB 0.111 29.717 29.700 -0.158 0.000 1.011 453 E HN 0.795 nan 8.360 nan 0.000 0.474 454 Y N -0.343 119.830 120.300 -0.213 0.000 2.664 454 Y HA 0.219 4.770 4.550 0.001 0.000 0.278 454 Y C 0.591 176.372 175.900 -0.198 0.000 1.130 454 Y CA 0.078 58.067 58.100 -0.185 0.000 1.260 454 Y CB 0.883 39.202 38.460 -0.235 0.000 1.369 454 Y HN -0.136 nan 8.280 nan 0.000 0.499 455 L N 1.657 122.828 121.223 -0.087 0.000 2.325 455 L HA 0.382 4.722 4.340 0.001 0.000 0.279 455 L C -0.819 176.015 176.870 -0.060 0.000 1.054 455 L CA -0.476 54.303 54.840 -0.101 0.000 0.804 455 L CB 1.379 43.327 42.059 -0.186 0.000 1.200 455 L HN -0.062 nan 8.230 nan 0.000 0.436 456 L N 1.729 122.910 121.223 -0.070 0.000 2.344 456 L HA 0.378 4.719 4.340 0.001 0.000 0.272 456 L C 0.247 177.148 176.870 0.052 0.000 1.035 456 L CA -0.190 54.633 54.840 -0.027 0.000 0.807 456 L CB 2.000 43.902 42.059 -0.261 0.000 1.237 456 L HN 0.629 nan 8.230 nan 0.000 0.442 457 E N 0.468 120.783 120.200 0.191 0.000 2.949 457 E HA 0.086 4.436 4.350 0.001 0.000 0.182 457 E C -0.646 176.124 176.600 0.284 0.000 1.154 457 E CA 0.073 56.574 56.400 0.169 0.000 1.205 457 E CB 0.551 30.286 29.700 0.059 0.000 1.865 457 E HN 0.641 nan 8.360 nan 0.000 0.516 458 E N 0.136 120.457 120.200 0.201 0.000 2.179 458 E HA 0.308 4.658 4.350 0.001 0.000 0.275 458 E C -0.933 175.544 176.600 -0.205 0.000 0.945 458 E CA -0.788 55.650 56.400 0.063 0.000 0.792 458 E CB 1.369 31.059 29.700 -0.016 0.000 1.125 458 E HN 0.030 nan 8.360 nan 0.000 0.397 459 F N 3.206 122.762 119.950 -0.657 0.000 2.445 459 F HA 0.251 4.778 4.527 0.001 0.000 0.359 459 F C -0.226 175.225 175.800 -0.582 0.000 1.101 459 F CA -0.909 56.401 58.000 -1.151 0.000 1.177 459 F CB 0.582 39.038 39.000 -0.907 0.000 1.110 459 F HN 0.360 nan 8.300 nan 0.000 0.522 460 R N 8.547 128.470 120.500 -0.962 0.000 2.477 460 R HA 0.204 4.544 4.340 0.001 0.000 0.285 460 R C -2.009 173.735 176.300 -0.927 0.000 1.415 460 R CA -1.640 54.013 56.100 -0.746 0.000 1.446 460 R CB 0.586 30.614 30.300 -0.453 0.000 1.110 460 R HN 0.440 nan 8.270 nan 0.000 0.590 461 P HA -0.212 nan 4.420 nan 0.000 0.218 461 P C 0.656 177.662 177.300 -0.491 0.000 1.148 461 P CA 1.343 63.925 63.100 -0.864 0.000 0.822 461 P CB 0.320 31.642 31.700 -0.631 0.000 0.784 462 D N 0.490 120.650 120.400 -0.400 0.000 2.144 462 D HA -0.150 4.490 4.640 0.001 0.000 0.199 462 D C 2.146 178.266 176.300 -0.298 0.000 0.984 462 D CA 0.978 54.807 54.000 -0.285 0.000 0.834 462 D CB -1.152 39.511 40.800 -0.228 0.000 0.955 462 D HN 0.241 nan 8.370 nan 0.000 0.465 463 L N 0.017 121.013 121.223 -0.379 0.000 2.156 463 L HA 0.004 4.344 4.340 0.001 0.000 0.208 463 L C 2.807 179.484 176.870 -0.322 0.000 1.095 463 L CA 0.449 55.040 54.840 -0.415 0.000 0.770 463 L CB -0.246 41.469 42.059 -0.573 0.000 0.914 463 L HN -0.047 nan 8.230 nan 0.000 0.439 464 I N -0.087 120.279 120.570 -0.339 0.000 2.252 464 I HA -0.264 3.906 4.170 0.001 0.000 0.245 464 I C 2.375 178.382 176.117 -0.183 0.000 1.102 464 I CA 1.377 62.525 61.300 -0.254 0.000 1.385 464 I CB -0.218 37.545 38.000 -0.395 0.000 1.064 464 I HN 0.283 nan 8.210 nan 0.000 0.414 465 E N 0.398 120.477 120.200 -0.201 0.000 2.110 465 E HA -0.247 4.103 4.350 0.001 0.000 0.193 465 E C 2.213 178.734 176.600 -0.132 0.000 0.988 465 E CA 1.113 57.427 56.400 -0.144 0.000 0.804 465 E CB -0.129 29.488 29.700 -0.138 0.000 0.745 465 E HN 0.412 nan 8.360 nan 0.000 0.458 466 M N 0.908 120.417 119.600 -0.152 0.000 2.117 466 M HA -0.137 4.343 4.480 0.001 0.000 0.262 466 M C 2.076 178.310 176.300 -0.111 0.000 1.065 466 M CA 1.408 56.633 55.300 -0.125 0.000 1.114 466 M CB -0.051 32.461 32.600 -0.147 0.000 1.361 466 M HN 0.022 nan 8.290 nan 0.000 0.408 467 V N 0.902 120.739 119.914 -0.128 0.000 2.379 467 V HA -0.240 3.880 4.120 0.001 0.000 0.245 467 V C 2.481 178.456 176.094 -0.198 0.000 1.044 467 V CA 1.186 63.410 62.300 -0.127 0.000 1.036 467 V CB -0.957 30.802 31.823 -0.107 0.000 0.664 467 V HN 0.467 nan 8.190 nan 0.000 0.453 468 L N 0.887 121.996 121.223 -0.190 0.000 2.187 468 L HA -0.193 4.148 4.340 0.001 0.000 0.213 468 L C 1.939 178.704 176.870 -0.175 0.000 1.100 468 L CA 2.202 56.916 54.840 -0.209 0.000 0.765 468 L CB -0.805 41.176 42.059 -0.129 0.000 0.904 468 L HN 0.421 nan 8.230 nan 0.000 0.437 469 D N -1.337 118.987 120.400 -0.126 0.000 2.312 469 D HA -0.138 4.502 4.640 0.001 0.000 0.211 469 D C 1.769 178.021 176.300 -0.080 0.000 0.964 469 D CA 0.722 54.670 54.000 -0.086 0.000 0.877 469 D CB 0.182 40.943 40.800 -0.064 0.000 0.924 469 D HN 0.150 nan 8.370 nan 0.000 0.515 470 K N -0.268 120.064 120.400 -0.114 0.000 2.361 470 K HA 0.129 4.450 4.320 0.001 0.000 0.196 470 K C 0.541 177.045 176.600 -0.159 0.000 1.039 470 K CA 0.098 56.338 56.287 -0.078 0.000 1.001 470 K CB 0.261 32.732 32.500 -0.048 0.000 0.795 470 K HN 0.289 nan 8.250 nan 0.000 0.495 471 L N 2.709 123.708 121.223 -0.373 0.000 2.423 471 L HA 0.188 4.528 4.340 0.001 0.000 0.249 471 L C -0.010 176.721 176.870 -0.232 0.000 1.276 471 L CA -0.026 54.329 54.840 -0.809 0.000 1.199 471 L CB -0.356 41.148 42.059 -0.926 0.000 1.407 471 L HN -0.114 nan 8.230 nan 0.000 0.410 472 R N 0.829 121.393 120.500 0.106 0.000 2.854 472 R HA 0.380 4.721 4.340 0.001 0.000 0.271 472 R C -1.863 174.642 176.300 0.341 0.000 0.994 472 R CA -1.818 54.408 56.100 0.210 0.000 0.945 472 R CB 1.530 31.867 30.300 0.062 0.000 1.194 472 R HN -0.138 nan 8.270 nan 0.000 0.476 473 P HA -0.269 nan 4.420 nan 0.000 0.216 473 P C 0.837 178.254 177.300 0.197 0.000 1.154 473 P CA 1.367 64.480 63.100 0.022 0.000 0.865 473 P CB 0.194 31.802 31.700 -0.152 0.000 0.789 474 E N 0.219 120.490 120.200 0.118 0.000 2.401 474 E HA -0.203 4.147 4.350 0.001 0.000 0.199 474 E C 0.777 177.464 176.600 0.146 0.000 1.023 474 E CA 1.367 57.833 56.400 0.110 0.000 0.859 474 E CB -1.312 28.427 29.700 0.066 0.000 0.780 474 E HN 0.527 nan 8.360 nan 0.000 0.523 475 N N -0.035 118.800 118.700 0.225 0.000 2.365 475 N HA 0.140 4.880 4.740 0.001 0.000 0.257 475 N C -0.798 174.870 175.510 0.264 0.000 1.287 475 N CA -0.365 52.824 53.050 0.231 0.000 0.882 475 N CB 1.225 39.844 38.487 0.219 0.000 1.250 475 N HN -0.070 nan 8.380 nan 0.000 0.507 476 V N 0.839 120.873 119.914 0.201 0.000 2.743 476 V HA 0.498 4.619 4.120 0.001 0.000 0.301 476 V C -0.418 175.651 176.094 -0.042 0.000 1.057 476 V CA -0.500 61.769 62.300 -0.051 0.000 1.006 476 V CB 1.413 33.254 31.823 0.031 0.000 1.024 476 V HN 0.319 nan 8.190 nan 0.000 0.473 477 R N 3.383 123.793 120.500 -0.150 0.000 2.561 477 R HA 0.739 5.079 4.340 0.001 0.000 0.297 477 R C -1.789 174.496 176.300 -0.024 0.000 0.969 477 R CA -0.570 55.503 56.100 -0.045 0.000 0.879 477 R CB 2.314 32.537 30.300 -0.129 0.000 1.178 477 R HN 0.536 nan 8.270 nan 0.000 0.445 478 V N 1.662 121.634 119.914 0.096 0.000 2.588 478 V HA 0.770 4.890 4.120 0.001 0.000 0.304 478 V C -0.647 175.579 176.094 0.219 0.000 1.042 478 V CA -0.864 61.502 62.300 0.111 0.000 0.877 478 V CB 1.822 33.718 31.823 0.121 0.000 0.996 478 V HN 0.904 nan 8.190 nan 0.000 0.425 479 A N 5.764 128.710 122.820 0.209 0.000 2.359 479 A HA 0.918 5.238 4.320 0.001 0.000 0.303 479 A C -0.986 176.754 177.584 0.260 0.000 1.066 479 A CA -0.477 51.716 52.037 0.261 0.000 0.730 479 A CB 1.047 20.167 19.000 0.201 0.000 1.211 479 A HN 0.767 nan 8.150 nan 0.000 0.439 480 I N 2.635 123.361 120.570 0.259 0.000 2.406 480 I HA 0.416 4.587 4.170 0.001 0.000 0.290 480 I C -0.759 175.602 176.117 0.407 0.000 0.999 480 I CA -0.967 60.516 61.300 0.304 0.000 1.124 480 I CB 1.973 40.202 38.000 0.381 0.000 1.289 480 I HN 0.288 nan 8.210 nan 0.000 0.441 481 V N 4.964 125.063 119.914 0.308 0.000 2.370 481 V HA 0.613 4.733 4.120 0.001 0.000 0.283 481 V C -0.084 176.101 176.094 0.152 0.000 1.023 481 V CA -0.196 62.271 62.300 0.279 0.000 0.857 481 V CB 1.411 33.392 31.823 0.263 0.000 0.985 481 V HN 0.826 nan 8.190 nan 0.000 0.443 482 S N 3.662 119.428 115.700 0.110 0.000 2.556 482 S HA 0.354 4.825 4.470 0.001 0.000 0.280 482 S C 0.335 174.855 174.600 -0.133 0.000 1.141 482 S CA -0.727 57.398 58.200 -0.126 0.000 0.883 482 S CB 1.740 64.688 63.200 -0.420 0.000 1.103 482 S HN 0.562 nan 8.310 nan 0.000 0.453 483 K N 1.893 122.235 120.400 -0.098 0.000 2.280 483 K HA -0.036 4.285 4.320 0.001 0.000 0.202 483 K C 2.084 178.626 176.600 -0.097 0.000 1.047 483 K CA 1.537 57.792 56.287 -0.052 0.000 0.942 483 K CB -0.735 31.744 32.500 -0.035 0.000 0.739 483 K HN 0.767 nan 8.250 nan 0.000 0.457 484 S N -0.206 115.346 115.700 -0.247 0.000 2.500 484 S HA -0.064 4.406 4.470 0.001 0.000 0.239 484 S C 1.691 176.183 174.600 -0.180 0.000 0.989 484 S CA 0.629 58.669 58.200 -0.267 0.000 0.951 484 S CB -0.593 62.365 63.200 -0.402 0.000 0.759 484 S HN 0.296 nan 8.310 nan 0.000 0.523 485 F N 1.440 121.405 119.950 0.025 0.000 2.765 485 F HA 0.322 4.850 4.527 0.001 0.000 0.302 485 F C 1.194 177.007 175.800 0.023 0.000 1.111 485 F CA -0.589 57.427 58.000 0.027 0.000 1.359 485 F CB 0.035 39.061 39.000 0.044 0.000 1.097 485 F HN 0.241 nan 8.300 nan 0.000 0.577 486 E N 0.670 120.964 120.200 0.156 0.000 2.480 486 E HA 0.181 4.532 4.350 0.001 0.000 0.258 486 E C 1.208 177.856 176.600 0.081 0.000 0.984 486 E CA 0.935 57.395 56.400 0.101 0.000 0.930 486 E CB 0.313 30.047 29.700 0.056 0.000 0.936 486 E HN 0.442 nan 8.360 nan 0.000 0.466 487 G N 4.288 113.126 108.800 0.064 0.000 2.179 487 G HA2 -0.304 3.656 3.960 0.001 0.000 0.260 487 G HA3 -0.304 3.656 3.960 0.001 0.000 0.260 487 G C 0.716 175.641 174.900 0.042 0.000 0.977 487 G CA 0.604 45.728 45.100 0.041 0.000 0.641 487 G HN 0.545 nan 8.290 nan 0.000 0.533 488 K N 0.802 121.243 120.400 0.069 0.000 2.414 488 K HA 0.328 4.648 4.320 0.001 0.000 0.204 488 K C 1.045 177.648 176.600 0.004 0.000 1.026 488 K CA 0.796 57.116 56.287 0.054 0.000 1.108 488 K CB 0.726 33.298 32.500 0.119 0.000 0.855 488 K HN 0.626 nan 8.250 nan 0.000 0.517 489 T N -1.678 112.874 114.554 -0.003 0.000 2.943 489 T HA 0.378 4.728 4.350 0.001 0.000 0.284 489 T C 0.200 174.846 174.700 -0.091 0.000 1.015 489 T CA -0.694 61.369 62.100 -0.061 0.000 1.042 489 T CB 1.688 70.538 68.868 -0.030 0.000 1.055 489 T HN 0.092 nan 8.240 nan 0.000 0.500 490 D N -0.687 119.618 120.400 -0.158 0.000 2.539 490 D HA 0.174 4.814 4.640 0.001 0.000 0.232 490 D C 0.275 176.450 176.300 -0.208 0.000 1.256 490 D CA -0.484 53.426 54.000 -0.150 0.000 0.810 490 D CB 0.263 40.987 40.800 -0.127 0.000 1.090 490 D HN 0.535 nan 8.370 nan 0.000 0.519 491 R N -0.741 119.554 120.500 -0.341 0.000 2.837 491 R HA 0.776 5.116 4.340 0.001 0.000 0.271 491 R C -1.000 175.134 176.300 -0.277 0.000 0.993 491 R CA -0.724 55.122 56.100 -0.423 0.000 0.931 491 R CB 2.175 31.971 30.300 -0.840 0.000 1.206 491 R HN -0.170 nan 8.270 nan 0.000 0.474 492 T N 0.921 115.431 114.554 -0.074 0.000 2.879 492 T HA 0.124 4.475 4.350 0.001 0.000 0.290 492 T C -1.022 173.777 174.700 0.164 0.000 0.993 492 T CA -0.699 61.447 62.100 0.077 0.000 0.975 492 T CB 1.721 70.591 68.868 0.003 0.000 0.981 492 T HN 0.357 nan 8.240 nan 0.000 0.439 493 E N 2.914 123.260 120.200 0.243 0.000 2.257 493 E HA 0.036 4.386 4.350 0.001 0.000 0.278 493 E C 1.197 177.802 176.600 0.009 0.000 1.049 493 E CA -0.078 56.408 56.400 0.144 0.000 0.876 493 E CB 0.891 30.654 29.700 0.107 0.000 1.035 493 E HN 0.896 nan 8.360 nan 0.000 0.419 494 E N 3.886 123.997 120.200 -0.149 0.000 2.085 494 E HA -0.207 4.143 4.350 0.001 0.000 0.194 494 E C 1.253 177.577 176.600 -0.460 0.000 0.994 494 E CA 1.303 57.472 56.400 -0.384 0.000 0.801 494 E CB -0.318 29.000 29.700 -0.637 0.000 0.743 494 E HN 0.641 nan 8.360 nan 0.000 0.453 495 W N -0.701 120.519 121.300 -0.134 0.000 2.436 495 W HA 0.004 4.664 4.660 0.001 0.000 0.284 495 W C 1.322 177.662 176.519 -0.298 0.000 1.225 495 W CA 0.261 57.393 57.345 -0.356 0.000 1.271 495 W CB 0.020 29.117 29.460 -0.605 0.000 1.114 495 W HN 0.117 nan 8.180 nan 0.000 0.559 496 Y N -1.430 118.928 120.300 0.097 0.000 2.430 496 Y HA 0.333 4.884 4.550 0.001 0.000 0.254 496 Y C 1.937 177.850 175.900 0.021 0.000 1.088 496 Y CA 0.412 58.559 58.100 0.077 0.000 1.267 496 Y CB 0.462 38.986 38.460 0.106 0.000 1.204 496 Y HN -0.013 nan 8.280 nan 0.000 0.515 497 G N 0.388 109.271 108.800 0.138 0.000 2.157 497 G HA2 -0.289 3.671 3.960 0.001 0.000 0.248 497 G HA3 -0.289 3.671 3.960 0.001 0.000 0.248 497 G C 0.236 175.200 174.900 0.107 0.000 0.979 497 G CA 0.270 45.414 45.100 0.073 0.000 0.650 497 G HN 0.214 nan 8.290 nan 0.000 0.529 498 T N 2.420 117.063 114.554 0.149 0.000 2.849 498 T HA 0.295 4.645 4.350 0.001 0.000 0.289 498 T C 0.431 175.265 174.700 0.223 0.000 1.010 498 T CA 0.500 62.686 62.100 0.144 0.000 1.161 498 T CB 0.815 69.730 68.868 0.078 0.000 0.989 498 T HN 0.326 nan 8.240 nan 0.000 0.523 499 Q N 2.946 122.858 119.800 0.188 0.000 2.279 499 Q HA 0.448 4.789 4.340 0.001 0.000 0.256 499 Q C -0.389 175.777 176.000 0.278 0.000 0.937 499 Q CA -0.337 55.574 55.803 0.179 0.000 0.933 499 Q CB 1.076 29.875 28.738 0.103 0.000 1.189 499 Q HN 0.848 nan 8.270 nan 0.000 0.417 500 Y N -1.064 119.252 120.300 0.028 0.000 2.764 500 Y HA 0.688 5.239 4.550 0.001 0.000 0.331 500 Y C -1.509 174.387 175.900 -0.006 0.000 1.280 500 Y CA -1.389 56.723 58.100 0.021 0.000 1.065 500 Y CB 1.488 39.977 38.460 0.048 0.000 1.319 500 Y HN 0.415 nan 8.280 nan 0.000 0.453 501 K N 1.296 121.665 120.400 -0.053 0.000 2.469 501 K HA 0.457 4.777 4.320 0.001 0.000 0.254 501 K C -1.892 174.694 176.600 -0.024 0.000 0.939 501 K CA -0.779 55.400 56.287 -0.181 0.000 0.812 501 K CB 2.575 34.962 32.500 -0.190 0.000 1.301 501 K HN 0.917 nan 8.250 nan 0.000 0.433 502 Q N 2.771 122.516 119.800 -0.093 0.000 2.340 502 Q HA 0.321 4.662 4.340 0.001 0.000 0.268 502 Q C -1.501 174.376 176.000 -0.204 0.000 1.031 502 Q CA -0.506 55.202 55.803 -0.158 0.000 0.804 502 Q CB 1.798 30.517 28.738 -0.031 0.000 1.286 502 Q HN 0.647 nan 8.270 nan 0.000 0.448 503 E N 1.295 121.331 120.200 -0.274 0.000 2.383 503 E HA 0.615 4.966 4.350 0.001 0.000 0.275 503 E C -1.503 174.978 176.600 -0.200 0.000 0.918 503 E CA -1.012 55.272 56.400 -0.194 0.000 0.764 503 E CB 1.979 31.583 29.700 -0.159 0.000 1.252 503 E HN 0.689 nan 8.360 nan 0.000 0.449 504 A N 2.418 125.155 122.820 -0.138 0.000 2.363 504 A HA 0.423 4.744 4.320 0.001 0.000 0.270 504 A C -0.008 177.517 177.584 -0.099 0.000 1.121 504 A CA -0.409 51.561 52.037 -0.113 0.000 0.800 504 A CB 0.000 18.950 19.000 -0.084 0.000 1.052 504 A HN 0.566 nan 8.150 nan 0.000 0.493 505 I N 3.193 123.717 120.570 -0.078 0.000 2.556 505 I HA 0.142 4.313 4.170 0.001 0.000 0.284 505 I C -1.897 174.155 176.117 -0.109 0.000 1.114 505 I CA -1.468 59.785 61.300 -0.079 0.000 1.418 505 I CB 0.727 38.713 38.000 -0.022 0.000 1.394 505 I HN 0.447 nan 8.210 nan 0.000 0.552 506 P HA -0.025 nan 4.420 nan 0.000 0.265 506 P C 0.256 177.462 177.300 -0.156 0.000 1.193 506 P CA -0.027 62.992 63.100 -0.134 0.000 0.765 506 P CB 0.524 32.140 31.700 -0.139 0.000 0.823 507 D N 1.993 122.324 120.400 -0.115 0.000 2.182 507 D HA -0.172 4.468 4.640 0.001 0.000 0.201 507 D C 1.326 177.545 176.300 -0.136 0.000 0.986 507 D CA 1.238 55.174 54.000 -0.107 0.000 0.847 507 D CB 0.176 40.933 40.800 -0.072 0.000 0.942 507 D HN 0.460 nan 8.370 nan 0.000 0.467 508 E N 0.296 120.411 120.200 -0.142 0.000 2.274 508 E HA -0.067 4.283 4.350 0.001 0.000 0.194 508 E C 2.343 178.802 176.600 -0.234 0.000 0.996 508 E CA 0.118 56.429 56.400 -0.148 0.000 0.840 508 E CB 0.077 29.709 29.700 -0.114 0.000 0.772 508 E HN 0.203 nan 8.360 nan 0.000 0.491 509 V N 1.525 121.235 119.914 -0.340 0.000 2.407 509 V HA -0.181 3.940 4.120 0.001 0.000 0.245 509 V C 2.299 177.908 176.094 -0.809 0.000 1.041 509 V CA 0.877 62.799 62.300 -0.631 0.000 1.040 509 V CB -0.251 31.135 31.823 -0.728 0.000 0.671 509 V HN 0.193 nan 8.190 nan 0.000 0.455 510 I N 0.473 120.750 120.570 -0.489 0.000 2.163 510 I HA -0.267 3.904 4.170 0.001 0.000 0.243 510 I C 2.433 178.471 176.117 -0.131 0.000 1.085 510 I CA 1.897 63.066 61.300 -0.220 0.000 1.347 510 I CB -1.106 36.845 38.000 -0.081 0.000 1.044 510 I HN 0.370 nan 8.210 nan 0.000 0.408 511 K N 1.266 121.581 120.400 -0.142 0.000 2.097 511 K HA -0.172 4.149 4.320 0.001 0.000 0.206 511 K C 2.111 178.672 176.600 -0.064 0.000 1.049 511 K CA 1.290 57.527 56.287 -0.083 0.000 0.933 511 K CB 0.080 32.535 32.500 -0.076 0.000 0.717 511 K HN 0.203 nan 8.250 nan 0.000 0.442 512 K N -0.568 119.762 120.400 -0.117 0.000 2.097 512 K HA -0.136 4.184 4.320 0.001 0.000 0.205 512 K C 1.881 178.544 176.600 0.105 0.000 1.050 512 K CA 1.172 57.436 56.287 -0.037 0.000 0.938 512 K CB -0.063 32.388 32.500 -0.080 0.000 0.718 512 K HN 0.290 nan 8.250 nan 0.000 0.442 513 W N 1.976 123.256 121.300 -0.034 0.000 2.388 513 W HA -0.060 4.601 4.660 0.001 0.000 0.294 513 W C 1.908 178.290 176.519 -0.228 0.000 1.212 513 W CA 0.568 57.858 57.345 -0.091 0.000 1.271 513 W CB -0.757 28.593 29.460 -0.184 0.000 1.126 513 W HN 0.220 nan 8.180 nan 0.000 0.535 514 Q N -0.225 119.583 119.800 0.012 0.000 2.170 514 Q HA -0.129 4.211 4.340 0.001 0.000 0.203 514 Q C 1.358 177.359 176.000 0.001 0.000 0.976 514 Q CA 0.973 56.743 55.803 -0.054 0.000 0.858 514 Q CB -0.383 28.330 28.738 -0.041 0.000 0.907 514 Q HN 0.201 nan 8.270 nan 0.000 0.433 515 N N 0.459 119.181 118.700 0.037 0.000 2.370 515 N HA 0.107 4.847 4.740 0.001 0.000 0.198 515 N C -0.448 175.110 175.510 0.079 0.000 1.156 515 N CA 0.116 53.194 53.050 0.047 0.000 0.839 515 N CB 0.197 38.707 38.487 0.038 0.000 0.989 515 N HN 0.124 nan 8.380 nan 0.000 0.468 516 A N 1.742 124.630 122.820 0.114 0.000 2.566 516 A HA 0.043 4.363 4.320 0.001 0.000 0.245 516 A C 0.572 178.226 177.584 0.115 0.000 1.056 516 A CA 0.021 52.151 52.037 0.155 0.000 0.757 516 A CB 0.021 19.160 19.000 0.232 0.000 0.979 516 A HN 0.348 nan 8.150 nan 0.000 0.508 517 D N 1.706 122.168 120.400 0.104 0.000 2.595 517 D HA 0.512 5.152 4.640 0.001 0.000 0.268 517 D C -0.215 176.142 176.300 0.094 0.000 1.181 517 D CA -0.735 53.313 54.000 0.081 0.000 1.085 517 D CB 0.028 40.864 40.800 0.061 0.000 1.186 517 D HN 0.359 nan 8.370 nan 0.000 0.621 518 L N 0.328 121.597 121.223 0.076 0.000 2.349 518 L HA 0.273 4.614 4.340 0.001 0.000 0.275 518 L C 0.419 177.335 176.870 0.077 0.000 1.115 518 L CA -0.607 54.287 54.840 0.090 0.000 0.820 518 L CB 0.373 42.471 42.059 0.065 0.000 1.135 518 L HN 0.385 nan 8.230 nan 0.000 0.445 519 N N 1.762 120.531 118.700 0.114 0.000 2.444 519 N HA 0.155 4.895 4.740 0.001 0.000 0.262 519 N C 0.901 176.381 175.510 -0.049 0.000 0.974 519 N CA -0.138 52.907 53.050 -0.008 0.000 0.933 519 N CB 2.062 40.487 38.487 -0.103 0.000 1.137 519 N HN 0.743 nan 8.380 nan 0.000 0.498 520 G N 3.095 111.861 108.800 -0.057 0.000 2.516 520 G HA2 -0.240 3.721 3.960 0.001 0.000 0.221 520 G HA3 -0.240 3.721 3.960 0.001 0.000 0.221 520 G C 1.126 175.982 174.900 -0.073 0.000 1.107 520 G CA 0.739 45.815 45.100 -0.040 0.000 0.747 520 G HN 0.621 nan 8.290 nan 0.000 0.567 521 K N -0.534 119.740 120.400 -0.210 0.000 2.418 521 K HA 0.132 4.452 4.320 0.001 0.000 0.195 521 K C -0.158 176.363 176.600 -0.132 0.000 1.035 521 K CA -0.043 56.104 56.287 -0.233 0.000 1.003 521 K CB 0.214 32.499 32.500 -0.358 0.000 0.793 521 K HN 0.374 nan 8.250 nan 0.000 0.494 522 F N 2.106 122.123 119.950 0.111 0.000 2.391 522 F HA 0.252 4.779 4.527 0.001 0.000 0.359 522 F C 0.277 176.130 175.800 0.089 0.000 1.122 522 F CA -0.858 57.237 58.000 0.159 0.000 1.120 522 F CB 0.975 40.097 39.000 0.203 0.000 1.142 522 F HN -0.298 nan 8.300 nan 0.000 0.483 523 K N 3.036 123.628 120.400 0.320 0.000 2.443 523 K HA 0.546 4.867 4.320 0.001 0.000 0.251 523 K C -1.299 175.406 176.600 0.174 0.000 0.972 523 K CA -1.233 55.163 56.287 0.182 0.000 0.833 523 K CB 2.309 34.894 32.500 0.142 0.000 1.317 523 K HN 0.255 nan 8.250 nan 0.000 0.441 524 L N 2.271 123.571 121.223 0.128 0.000 2.452 524 L HA 0.260 4.600 4.340 0.001 0.000 0.267 524 L C -2.074 174.882 176.870 0.144 0.000 1.188 524 L CA -1.524 53.396 54.840 0.134 0.000 0.821 524 L CB -0.636 41.544 42.059 0.201 0.000 1.102 524 L HN 0.472 nan 8.230 nan 0.000 0.470 525 P HA 0.166 nan 4.420 nan 0.000 0.270 525 P C -0.712 176.761 177.300 0.288 0.000 1.223 525 P CA -0.336 62.766 63.100 0.003 0.000 0.785 525 P CB 0.282 31.768 31.700 -0.358 0.000 0.923 526 T N -1.472 113.212 114.554 0.218 0.000 2.881 526 T HA 0.387 4.738 4.350 0.001 0.000 0.278 526 T C 0.122 174.967 174.700 0.241 0.000 0.982 526 T CA -1.000 61.197 62.100 0.163 0.000 0.989 526 T CB 0.536 69.455 68.868 0.086 0.000 1.058 526 T HN 0.089 nan 8.240 nan 0.000 0.529 527 K N 1.820 122.244 120.400 0.039 0.000 2.511 527 K HA 0.009 4.330 4.320 0.001 0.000 0.280 527 K C 0.266 176.979 176.600 0.187 0.000 1.008 527 K CA 0.060 56.421 56.287 0.123 0.000 1.050 527 K CB -0.094 32.369 32.500 -0.061 0.000 0.889 527 K HN 0.636 nan 8.250 nan 0.000 0.484 528 N N 3.844 122.701 118.700 0.262 0.000 2.431 528 N HA -0.048 4.692 4.740 0.001 0.000 0.265 528 N C -0.200 175.387 175.510 0.127 0.000 1.184 528 N CA 0.244 53.428 53.050 0.222 0.000 0.943 528 N CB 0.647 39.284 38.487 0.250 0.000 1.080 528 N HN 0.513 nan 8.380 nan 0.000 0.477 529 E N 2.907 123.138 120.200 0.051 0.000 2.478 529 E HA -0.020 4.330 4.350 0.001 0.000 0.194 529 E C 0.473 176.956 176.600 -0.195 0.000 1.045 529 E CA 0.258 56.600 56.400 -0.097 0.000 0.868 529 E CB 0.025 29.606 29.700 -0.198 0.000 0.885 529 E HN 0.631 nan 8.360 nan 0.000 0.505 530 F N 0.477 120.423 119.950 -0.006 0.000 2.765 530 F HA 0.189 4.717 4.527 0.001 0.000 0.302 530 F C 1.074 176.878 175.800 0.007 0.000 1.111 530 F CA -0.234 57.755 58.000 -0.020 0.000 1.359 530 F CB 0.277 39.246 39.000 -0.052 0.000 1.097 530 F HN -0.161 nan 8.300 nan 0.000 0.577 531 I N 4.095 124.762 120.570 0.161 0.000 2.821 531 I HA -0.047 4.123 4.170 0.001 0.000 0.294 531 I C -1.834 174.309 176.117 0.043 0.000 1.210 531 I CA -1.424 59.947 61.300 0.120 0.000 1.430 531 I CB 0.097 38.159 38.000 0.104 0.000 1.356 531 I HN -0.164 nan 8.210 nan 0.000 0.563 532 P HA 0.093 nan 4.420 nan 0.000 0.279 532 P C 0.177 177.259 177.300 -0.363 0.000 1.239 532 P CA -0.206 62.751 63.100 -0.238 0.000 0.789 532 P CB 1.348 32.806 31.700 -0.403 0.000 0.933 533 T N -1.789 112.455 114.554 -0.517 0.000 2.989 533 T HA 0.085 4.435 4.350 0.001 0.000 0.250 533 T C 0.656 174.970 174.700 -0.644 0.000 0.981 533 T CA 0.055 61.914 62.100 -0.402 0.000 0.980 533 T CB -0.379 68.401 68.868 -0.146 0.000 1.133 533 T HN 0.272 nan 8.240 nan 0.000 0.489 534 N N 0.968 119.255 118.700 -0.688 0.000 2.437 534 N HA 0.336 5.077 4.740 0.001 0.000 0.243 534 N C -1.057 174.055 175.510 -0.664 0.000 1.041 534 N CA -1.140 51.624 53.050 -0.477 0.000 0.940 534 N CB 0.184 38.521 38.487 -0.251 0.000 1.133 534 N HN 0.335 nan 8.380 nan 0.000 0.506 535 F N 0.730 120.626 119.950 -0.089 0.000 2.668 535 F HA 0.170 4.697 4.527 0.001 0.000 0.301 535 F C 0.942 176.685 175.800 -0.096 0.000 1.106 535 F CA -0.679 57.215 58.000 -0.177 0.000 1.289 535 F CB 0.053 38.919 39.000 -0.224 0.000 1.006 535 F HN 0.442 nan 8.300 nan 0.000 0.535 536 E N 1.731 121.973 120.200 0.069 0.000 2.360 536 E HA 0.137 4.487 4.350 0.001 0.000 0.269 536 E C -0.246 176.393 176.600 0.065 0.000 1.022 536 E CA -0.391 56.053 56.400 0.074 0.000 0.887 536 E CB 1.035 30.764 29.700 0.048 0.000 0.990 536 E HN 0.038 nan 8.360 nan 0.000 0.426 537 I N 4.309 124.933 120.570 0.090 0.000 2.301 537 I HA 0.094 4.265 4.170 0.001 0.000 0.292 537 I C -0.040 176.138 176.117 0.102 0.000 1.046 537 I CA -0.836 60.534 61.300 0.117 0.000 1.282 537 I CB 0.046 38.148 38.000 0.170 0.000 1.409 537 I HN 0.586 nan 8.210 nan 0.000 0.484 538 L N 9.539 130.822 121.223 0.099 0.000 2.490 538 L HA 0.153 4.494 4.340 0.001 0.000 0.274 538 L C -1.573 175.359 176.870 0.103 0.000 1.201 538 L CA -0.847 54.045 54.840 0.086 0.000 0.869 538 L CB -0.733 41.377 42.059 0.085 0.000 1.123 538 L HN 0.423 nan 8.230 nan 0.000 0.484 539 P HA -0.006 nan 4.420 nan 0.000 0.268 539 P C -0.425 176.931 177.300 0.094 0.000 1.205 539 P CA -0.691 62.449 63.100 0.067 0.000 0.771 539 P CB 0.673 32.395 31.700 0.037 0.000 0.858 540 L N 3.111 124.398 121.223 0.106 0.000 2.534 540 L HA 0.002 4.342 4.340 0.001 0.000 0.271 540 L C 0.891 177.813 176.870 0.086 0.000 1.178 540 L CA 0.592 55.504 54.840 0.119 0.000 0.907 540 L CB -0.881 41.255 42.059 0.128 0.000 1.164 540 L HN 0.374 nan 8.230 nan 0.000 0.482 541 E N 4.179 124.439 120.200 0.099 0.000 2.415 541 E HA -0.055 4.295 4.350 0.001 0.000 0.262 541 E C 0.846 177.484 176.600 0.063 0.000 1.038 541 E CA 0.098 56.549 56.400 0.084 0.000 0.921 541 E CB 0.613 30.381 29.700 0.114 0.000 0.950 541 E HN 0.555 nan 8.360 nan 0.000 0.438 542 K N 1.548 121.977 120.400 0.047 0.000 2.152 542 K HA -0.205 4.115 4.320 0.001 0.000 0.206 542 K C 0.466 177.087 176.600 0.035 0.000 1.048 542 K CA 1.556 57.864 56.287 0.035 0.000 0.933 542 K CB -0.019 32.497 32.500 0.026 0.000 0.721 542 K HN 0.298 nan 8.250 nan 0.000 0.447 543 E N 1.064 121.293 120.200 0.047 0.000 2.437 543 E HA 0.285 4.636 4.350 0.001 0.000 0.195 543 E C -0.204 176.430 176.600 0.057 0.000 1.029 543 E CA -0.060 56.369 56.400 0.047 0.000 0.948 543 E CB 0.545 30.275 29.700 0.050 0.000 1.082 543 E HN 0.417 nan 8.360 nan 0.000 0.456 544 A N 1.313 124.166 122.820 0.054 0.000 2.483 544 A HA 0.397 4.717 4.320 0.001 0.000 0.238 544 A C 0.655 178.229 177.584 -0.018 0.000 1.070 544 A CA 0.114 52.171 52.037 0.034 0.000 0.770 544 A CB 0.012 19.030 19.000 0.030 0.000 1.008 544 A HN 0.286 nan 8.150 nan 0.000 0.497 545 T N -0.065 114.447 114.554 -0.069 0.000 2.912 545 T HA 0.660 5.011 4.350 0.001 0.000 0.288 545 T C -1.911 172.676 174.700 -0.187 0.000 1.030 545 T CA -1.485 60.554 62.100 -0.102 0.000 1.020 545 T CB 1.843 70.664 68.868 -0.079 0.000 1.056 545 T HN 0.427 nan 8.240 nan 0.000 0.480 546 P HA 0.054 nan 4.420 nan 0.000 0.222 546 P C -0.481 176.474 177.300 -0.575 0.000 1.153 546 P CA 0.751 63.604 63.100 -0.412 0.000 0.798 546 P CB 0.049 31.446 31.700 -0.506 0.000 0.796 547 Y N -0.862 119.264 120.300 -0.290 0.000 2.598 547 Y HA 0.509 5.060 4.550 0.001 0.000 0.340 547 Y C -2.199 173.268 175.900 -0.722 0.000 1.038 547 Y CA -3.309 54.421 58.100 -0.617 0.000 1.100 547 Y CB -0.044 38.137 38.460 -0.465 0.000 1.281 547 Y HN -0.307 nan 8.280 nan 0.000 0.488 548 P HA 0.235 nan 4.420 nan 0.000 0.268 548 P C -1.225 175.974 177.300 -0.169 0.000 1.204 548 P CA 0.152 62.868 63.100 -0.641 0.000 0.768 548 P CB 0.525 31.707 31.700 -0.864 0.000 0.842 549 A N 3.384 126.229 122.820 0.041 0.000 2.340 549 A HA 0.546 4.867 4.320 0.001 0.000 0.331 549 A C -0.890 176.776 177.584 0.136 0.000 1.140 549 A CA -0.707 51.426 52.037 0.159 0.000 0.801 549 A CB 0.612 19.665 19.000 0.089 0.000 1.234 549 A HN 0.544 nan 8.150 nan 0.000 0.469 550 L N 3.819 124.990 121.223 -0.086 0.000 2.363 550 L HA 0.360 4.700 4.340 0.001 0.000 0.286 550 L C 0.667 177.387 176.870 -0.251 0.000 1.106 550 L CA 0.202 54.712 54.840 -0.550 0.000 0.859 550 L CB -0.174 41.371 42.059 -0.855 0.000 1.223 550 L HN 0.655 nan 8.230 nan 0.000 0.446 551 I N 0.895 121.364 120.570 -0.168 0.000 3.956 551 I HA 0.358 4.528 4.170 0.001 0.000 0.333 551 I C 0.314 176.363 176.117 -0.114 0.000 1.302 551 I CA -0.243 61.004 61.300 -0.088 0.000 1.122 551 I CB -0.119 37.870 38.000 -0.018 0.000 1.013 551 I HN 0.535 nan 8.210 nan 0.000 0.405 552 K N 1.538 121.838 120.400 -0.166 0.000 2.565 552 K HA 0.293 4.613 4.320 0.001 0.000 0.251 552 K C -1.851 174.651 176.600 -0.164 0.000 0.956 552 K CA -0.439 55.773 56.287 -0.126 0.000 0.809 552 K CB 1.926 34.377 32.500 -0.082 0.000 1.267 552 K HN 0.008 nan 8.250 nan 0.000 0.438 553 D N 3.230 123.560 120.400 -0.116 0.000 2.517 553 D HA 0.158 4.799 4.640 0.001 0.000 0.263 553 D C -0.999 175.277 176.300 -0.040 0.000 1.233 553 D CA -0.036 53.901 54.000 -0.104 0.000 0.849 553 D CB 0.881 41.592 40.800 -0.148 0.000 1.261 553 D HN 0.585 nan 8.370 nan 0.000 0.516 554 T N -2.114 112.445 114.554 0.008 0.000 2.905 554 T HA 0.725 5.075 4.350 0.001 0.000 0.283 554 T C 1.396 176.145 174.700 0.081 0.000 1.031 554 T CA -0.179 61.939 62.100 0.030 0.000 1.002 554 T CB 1.480 70.368 68.868 0.033 0.000 1.200 554 T HN -0.021 nan 8.240 nan 0.000 0.560 555 A N 0.181 123.039 122.820 0.063 0.000 1.968 555 A HA 0.082 4.402 4.320 0.001 0.000 0.217 555 A C 2.168 179.878 177.584 0.210 0.000 1.169 555 A CA 1.650 53.728 52.037 0.068 0.000 0.638 555 A CB -0.936 18.082 19.000 0.030 0.000 0.812 555 A HN 0.820 nan 8.150 nan 0.000 0.446 556 M N -0.021 119.688 119.600 0.182 0.000 2.236 556 M HA 0.043 4.523 4.480 0.001 0.000 0.266 556 M C 0.428 176.851 176.300 0.205 0.000 1.070 556 M CA 1.477 56.901 55.300 0.207 0.000 1.137 556 M CB -0.063 32.614 32.600 0.129 0.000 1.378 556 M HN 0.440 nan 8.290 nan 0.000 0.426 557 S N -1.000 114.791 115.700 0.152 0.000 2.547 557 S HA 0.493 4.963 4.470 0.001 0.000 0.270 557 S C -1.016 173.615 174.600 0.051 0.000 1.150 557 S CA -1.196 57.018 58.200 0.025 0.000 0.850 557 S CB 1.589 64.803 63.200 0.024 0.000 1.118 557 S HN 0.264 nan 8.310 nan 0.000 0.461 558 K N 1.365 121.764 120.400 -0.001 0.000 2.450 558 K HA 0.611 4.932 4.320 0.001 0.000 0.257 558 K C -1.813 174.732 176.600 -0.091 0.000 0.953 558 K CA -0.865 55.401 56.287 -0.035 0.000 0.844 558 K CB 1.099 33.658 32.500 0.098 0.000 1.103 558 K HN 0.629 nan 8.250 nan 0.000 0.429 559 L N 5.774 126.874 121.223 -0.206 0.000 2.305 559 L HA 0.538 4.879 4.340 0.001 0.000 0.284 559 L C -1.788 174.943 176.870 -0.231 0.000 1.013 559 L CA -0.191 54.574 54.840 -0.125 0.000 0.819 559 L CB 0.522 42.551 42.059 -0.051 0.000 1.227 559 L HN 0.578 nan 8.230 nan 0.000 0.417 560 W N 5.682 127.054 121.300 0.120 0.000 2.433 560 W HA 0.554 5.214 4.660 0.001 0.000 0.315 560 W C -0.693 175.909 176.519 0.139 0.000 1.087 560 W CA -0.255 57.160 57.345 0.116 0.000 1.205 560 W CB 1.360 30.908 29.460 0.146 0.000 1.288 560 W HN 0.423 nan 8.180 nan 0.000 0.504 561 F N 3.715 123.745 119.950 0.135 0.000 2.578 561 F HA 0.642 5.169 4.527 0.001 0.000 0.311 561 F C -1.130 174.672 175.800 0.003 0.000 1.094 561 F CA -1.587 56.448 58.000 0.058 0.000 0.923 561 F CB 1.658 40.675 39.000 0.027 0.000 1.230 561 F HN 0.263 nan 8.300 nan 0.000 0.450 562 K N 5.074 124.787 120.400 -1.144 0.000 2.565 562 K HA 0.196 4.516 4.320 0.001 0.000 0.251 562 K C -1.810 174.303 176.600 -0.812 0.000 0.956 562 K CA -0.622 55.055 56.287 -1.017 0.000 0.809 562 K CB 1.947 34.080 32.500 -0.611 0.000 1.267 562 K HN 0.917 nan 8.250 nan 0.000 0.438 563 Q N 3.401 122.769 119.800 -0.720 0.000 2.279 563 Q HA 0.064 4.404 4.340 0.001 0.000 0.256 563 Q C -0.702 175.274 176.000 -0.040 0.000 0.937 563 Q CA -0.353 55.346 55.803 -0.173 0.000 0.933 563 Q CB 0.986 29.751 28.738 0.045 0.000 1.189 563 Q HN 0.580 nan 8.270 nan 0.000 0.417 564 D N 3.078 123.483 120.400 0.008 0.000 2.586 564 D HA -0.129 4.512 4.640 0.001 0.000 0.234 564 D C -0.433 175.731 176.300 -0.227 0.000 1.132 564 D CA 0.537 54.498 54.000 -0.066 0.000 0.860 564 D CB 0.664 41.373 40.800 -0.151 0.000 1.159 564 D HN 0.631 nan 8.370 nan 0.000 0.490 565 D N 2.136 122.353 120.400 -0.305 0.000 2.650 565 D HA 0.140 4.780 4.640 0.001 0.000 0.265 565 D C 0.347 176.311 176.300 -0.561 0.000 1.339 565 D CA -0.311 53.495 54.000 -0.324 0.000 0.816 565 D CB 0.203 40.945 40.800 -0.097 0.000 1.091 565 D HN 0.420 nan 8.370 nan 0.000 0.483 566 K N -1.039 118.744 120.400 -1.029 0.000 2.770 566 K HA 0.218 4.539 4.320 0.001 0.000 0.195 566 K C 0.713 176.617 176.600 -1.161 0.000 1.515 566 K CA 0.060 55.725 56.287 -1.036 0.000 1.199 566 K CB 0.346 32.105 32.500 -1.234 0.000 1.681 566 K HN -0.059 nan 8.250 nan 0.000 0.586 567 F N 0.478 120.064 119.950 -0.607 0.000 2.446 567 F HA 0.252 4.780 4.527 0.001 0.000 0.292 567 F C 0.013 175.705 175.800 -0.180 0.000 1.096 567 F CA -0.078 57.739 58.000 -0.305 0.000 1.438 567 F CB -0.063 38.805 39.000 -0.221 0.000 1.107 567 F HN -0.158 nan 8.300 nan 0.000 0.546 568 F N 1.435 121.469 119.950 0.139 0.000 2.943 568 F HA -0.230 4.297 4.527 0.001 0.000 0.258 568 F C -0.356 175.511 175.800 0.111 0.000 0.995 568 F CA -0.243 57.812 58.000 0.092 0.000 0.896 568 F CB -1.992 37.041 39.000 0.055 0.000 0.821 568 F HN -0.108 nan 8.300 nan 0.000 0.828 569 L N 2.066 123.397 121.223 0.179 0.000 2.341 569 L HA 0.491 4.832 4.340 0.001 0.000 0.267 569 L C -1.760 175.127 176.870 0.029 0.000 1.009 569 L CA -2.069 52.851 54.840 0.133 0.000 0.819 569 L CB 1.974 44.105 42.059 0.120 0.000 1.323 569 L HN -0.273 nan 8.230 nan 0.000 0.425 570 P HA 0.103 nan 4.420 nan 0.000 0.231 570 P C -1.036 176.291 177.300 0.044 0.000 1.756 570 P CA 0.181 63.251 63.100 -0.050 0.000 0.990 570 P CB -0.161 31.448 31.700 -0.152 0.000 1.973 571 K N 0.719 121.120 120.400 0.003 0.000 2.480 571 K HA 0.871 5.191 4.320 0.001 0.000 0.258 571 K C -0.921 175.643 176.600 -0.059 0.000 0.990 571 K CA -0.980 55.286 56.287 -0.035 0.000 0.857 571 K CB 2.716 35.149 32.500 -0.111 0.000 1.384 571 K HN 0.081 nan 8.250 nan 0.000 0.446 572 A N 0.454 123.232 122.820 -0.071 0.000 2.612 572 A HA 0.626 4.946 4.320 0.001 0.000 0.293 572 A C -1.607 175.932 177.584 -0.075 0.000 1.075 572 A CA -0.662 51.335 52.037 -0.066 0.000 0.680 572 A CB 1.235 20.236 19.000 0.002 0.000 1.279 572 A HN 0.702 nan 8.150 nan 0.000 0.411 573 C N 1.497 120.753 119.300 -0.073 0.000 2.340 573 C HA 0.664 5.125 4.460 0.001 0.000 0.323 573 C C -0.406 174.552 174.990 -0.054 0.000 1.260 573 C CA -0.417 58.556 59.018 -0.074 0.000 1.464 573 C CB -0.236 27.448 27.740 -0.092 0.000 2.156 573 C HN 0.632 nan 8.230 nan 0.000 0.476 574 L N 4.548 125.737 121.223 -0.057 0.000 2.318 574 L HA 0.452 4.793 4.340 0.001 0.000 0.277 574 L C -0.238 176.510 176.870 -0.204 0.000 1.008 574 L CA -0.035 54.757 54.840 -0.079 0.000 0.846 574 L CB 0.279 42.444 42.059 0.177 0.000 1.220 574 L HN 0.703 nan 8.230 nan 0.000 0.423 575 N N 3.453 121.840 118.700 -0.523 0.000 2.408 575 N HA 0.637 5.377 4.740 0.001 0.000 0.280 575 N C -1.427 173.656 175.510 -0.712 0.000 1.002 575 N CA -0.520 52.108 53.050 -0.703 0.000 0.907 575 N CB 1.683 39.312 38.487 -1.429 0.000 1.161 575 N HN 0.239 nan 8.380 nan 0.000 0.488 576 F N 0.811 120.649 119.950 -0.186 0.000 2.547 576 F HA 0.285 4.812 4.527 0.001 0.000 0.316 576 F C 0.118 175.944 175.800 0.044 0.000 1.121 576 F CA -0.866 57.073 58.000 -0.101 0.000 0.911 576 F CB 1.923 40.737 39.000 -0.311 0.000 1.179 576 F HN 0.326 nan 8.300 nan 0.000 0.443 577 E N 2.738 123.057 120.200 0.199 0.000 2.165 577 E HA 0.518 4.869 4.350 0.001 0.000 0.266 577 E C -1.790 174.627 176.600 -0.305 0.000 0.889 577 E CA -0.460 55.984 56.400 0.073 0.000 0.756 577 E CB 0.686 30.387 29.700 0.003 0.000 1.131 577 E HN 0.327 nan 8.360 nan 0.000 0.411 578 F N 4.814 124.749 119.950 -0.026 0.000 2.385 578 F HA 0.433 4.961 4.527 0.001 0.000 0.360 578 F C -0.416 175.364 175.800 -0.033 0.000 1.122 578 F CA -0.660 57.368 58.000 0.046 0.000 1.090 578 F CB 0.620 39.690 39.000 0.118 0.000 1.150 578 F HN 0.354 nan 8.300 nan 0.000 0.472 579 F N 1.961 122.128 119.950 0.361 0.000 2.404 579 F HA 0.537 5.064 4.527 0.001 0.000 0.345 579 F C 0.427 176.419 175.800 0.321 0.000 1.110 579 F CA -0.499 57.696 58.000 0.325 0.000 1.130 579 F CB 1.647 40.811 39.000 0.274 0.000 1.129 579 F HN 0.351 nan 8.300 nan 0.000 0.500 580 S N 4.210 120.198 115.700 0.479 0.000 2.605 580 S HA 0.338 4.808 4.470 0.001 0.000 0.279 580 S C -2.151 172.694 174.600 0.408 0.000 1.166 580 S CA -1.123 57.331 58.200 0.423 0.000 0.975 580 S CB 1.620 65.053 63.200 0.388 0.000 1.111 580 S HN 0.333 nan 8.310 nan 0.000 0.465 581 P HA 0.041 nan 4.420 nan 0.000 0.225 581 P C 0.781 178.127 177.300 0.076 0.000 1.148 581 P CA 0.725 63.925 63.100 0.167 0.000 0.779 581 P CB -0.172 31.527 31.700 -0.003 0.000 0.780 582 F N 0.018 120.132 119.950 0.274 0.000 2.804 582 F HA 0.245 4.772 4.527 0.001 0.000 0.303 582 F C 2.324 178.439 175.800 0.525 0.000 1.154 582 F CA 0.275 58.471 58.000 0.327 0.000 1.401 582 F CB -0.613 38.558 39.000 0.285 0.000 1.106 582 F HN -0.033 nan 8.300 nan 0.000 0.568 583 A N -1.687 121.491 122.820 0.597 0.000 2.081 583 A HA -0.034 4.286 4.320 0.001 0.000 0.214 583 A C 1.177 179.142 177.584 0.636 0.000 1.158 583 A CA 0.861 53.269 52.037 0.619 0.000 0.724 583 A CB -0.412 18.891 19.000 0.505 0.000 0.826 583 A HN 0.496 nan 8.150 nan 0.000 0.463 584 Y N -1.917 118.626 120.300 0.405 0.000 2.779 584 Y HA 0.228 4.778 4.550 0.001 0.000 0.251 584 Y C 1.384 177.588 175.900 0.506 0.000 1.145 584 Y CA 0.020 58.395 58.100 0.459 0.000 1.201 584 Y CB 0.822 39.534 38.460 0.420 0.000 1.281 584 Y HN 0.013 nan 8.280 nan 0.000 0.563 585 V N 1.005 121.109 119.914 0.317 0.000 2.380 585 V HA -0.160 3.960 4.120 0.001 0.000 0.251 585 V C 0.183 176.361 176.094 0.140 0.000 1.063 585 V CA 2.546 64.928 62.300 0.138 0.000 1.055 585 V CB -0.195 31.498 31.823 -0.217 0.000 0.657 585 V HN 0.648 nan 8.190 nan 0.000 0.455 586 D N -4.209 116.135 120.400 -0.093 0.000 2.653 586 D HA 0.287 4.927 4.640 0.001 0.000 0.258 586 D C -2.412 173.314 176.300 -0.956 0.000 1.252 586 D CA -1.481 52.112 54.000 -0.679 0.000 0.777 586 D CB 0.728 41.284 40.800 -0.406 0.000 1.339 586 D HN -0.142 nan 8.370 nan 0.000 0.422 587 P HA -0.168 nan 4.420 nan 0.000 0.217 587 P C 1.742 178.839 177.300 -0.339 0.000 1.158 587 P CA 1.251 63.851 63.100 -0.834 0.000 0.887 587 P CB 0.128 31.446 31.700 -0.637 0.000 0.792 588 L N -1.289 119.792 121.223 -0.237 0.000 2.042 588 L HA -0.205 4.136 4.340 0.001 0.000 0.210 588 L C 2.290 179.076 176.870 -0.141 0.000 1.076 588 L CA 2.013 56.782 54.840 -0.119 0.000 0.749 588 L CB -1.307 40.718 42.059 -0.056 0.000 0.893 588 L HN 0.133 nan 8.230 nan 0.000 0.432 589 H N -2.161 116.824 119.070 -0.142 0.000 2.428 589 H HA -0.140 4.416 4.556 0.001 0.000 0.296 589 H C 2.388 177.702 175.328 -0.025 0.000 1.062 589 H CA 1.345 57.344 56.048 -0.081 0.000 1.350 589 H CB -0.181 29.683 29.762 0.169 0.000 1.403 589 H HN 0.573 nan 8.280 nan 0.000 0.533 590 C N 1.574 120.939 119.300 0.109 0.000 2.446 590 C HA -0.099 4.361 4.460 0.001 0.000 0.277 590 C C 2.477 177.568 174.990 0.168 0.000 1.275 590 C CA 0.819 59.970 59.018 0.221 0.000 1.727 590 C CB -0.734 27.115 27.740 0.182 0.000 2.010 590 C HN 0.512 nan 8.230 nan 0.000 0.486 591 N N 0.783 119.535 118.700 0.086 0.000 2.104 591 N HA -0.105 4.635 4.740 0.001 0.000 0.190 591 N C 1.778 177.304 175.510 0.028 0.000 1.024 591 N CA 1.824 54.964 53.050 0.149 0.000 0.853 591 N CB -0.538 38.047 38.487 0.164 0.000 1.008 591 N HN 0.591 nan 8.380 nan 0.000 0.424 592 M N 0.162 119.633 119.600 -0.215 0.000 2.175 592 M HA -0.005 4.475 4.480 0.001 0.000 0.264 592 M C 2.191 178.328 176.300 -0.273 0.000 1.063 592 M CA 1.004 56.018 55.300 -0.477 0.000 1.119 592 M CB -0.255 31.569 32.600 -1.293 0.000 1.377 592 M HN 0.118 nan 8.290 nan 0.000 0.415 593 A N -0.142 122.642 122.820 -0.061 0.000 1.877 593 A HA -0.227 4.094 4.320 0.001 0.000 0.216 593 A C 2.024 179.789 177.584 0.302 0.000 1.186 593 A CA 1.529 53.816 52.037 0.416 0.000 0.620 593 A CB -1.087 18.208 19.000 0.492 0.000 0.822 593 A HN 0.560 nan 8.150 nan 0.000 0.443 594 Y N -0.134 120.205 120.300 0.065 0.000 2.114 594 Y HA -0.162 4.388 4.550 0.001 0.000 0.284 594 Y C 1.991 177.824 175.900 -0.112 0.000 1.143 594 Y CA 1.726 59.785 58.100 -0.068 0.000 1.135 594 Y CB -0.342 37.969 38.460 -0.248 0.000 0.980 594 Y HN 0.189 nan 8.280 nan 0.000 0.499 595 L N -0.277 120.879 121.223 -0.111 0.000 2.046 595 L HA -0.220 4.120 4.340 0.001 0.000 0.208 595 L C 2.327 179.219 176.870 0.037 0.000 1.077 595 L CA 1.909 56.694 54.840 -0.091 0.000 0.747 595 L CB -1.877 40.241 42.059 0.097 0.000 0.896 595 L HN 0.496 nan 8.230 nan 0.000 0.432 596 Y N -0.439 119.874 120.300 0.022 0.000 2.070 596 Y HA -0.278 4.272 4.550 0.001 0.000 0.280 596 Y C 2.344 178.191 175.900 -0.089 0.000 1.148 596 Y CA 1.603 59.759 58.100 0.093 0.000 1.125 596 Y CB -0.695 37.911 38.460 0.244 0.000 0.975 596 Y HN 0.088 nan 8.280 nan 0.000 0.492 597 L N 0.833 121.810 121.223 -0.410 0.000 2.083 597 L HA -0.154 4.186 4.340 0.001 0.000 0.209 597 L C 2.471 179.078 176.870 -0.438 0.000 1.083 597 L CA 2.066 56.563 54.840 -0.572 0.000 0.752 597 L CB -1.419 40.431 42.059 -0.349 0.000 0.899 597 L HN 0.307 nan 8.230 nan 0.000 0.433 598 E N -0.492 119.446 120.200 -0.437 0.000 2.106 598 E HA -0.156 4.194 4.350 0.001 0.000 0.192 598 E C 2.259 178.735 176.600 -0.207 0.000 0.984 598 E CA 1.108 57.273 56.400 -0.393 0.000 0.806 598 E CB -0.206 29.135 29.700 -0.598 0.000 0.750 598 E HN 0.419 nan 8.360 nan 0.000 0.458 599 L N -0.256 120.895 121.223 -0.119 0.000 2.156 599 L HA -0.102 4.238 4.340 0.001 0.000 0.208 599 L C 2.267 179.103 176.870 -0.056 0.000 1.095 599 L CA 0.410 55.294 54.840 0.073 0.000 0.770 599 L CB -0.321 41.959 42.059 0.368 0.000 0.914 599 L HN 0.230 nan 8.230 nan 0.000 0.439 600 L N -0.013 120.905 121.223 -0.508 0.000 2.027 600 L HA -0.186 4.155 4.340 0.001 0.000 0.206 600 L C 2.476 179.164 176.870 -0.304 0.000 1.074 600 L CA 1.815 56.180 54.840 -0.792 0.000 0.745 600 L CB -0.445 41.021 42.059 -0.988 0.000 0.898 600 L HN 0.068 nan 8.230 nan 0.000 0.433 601 K N -0.608 119.668 120.400 -0.206 0.000 2.097 601 K HA -0.238 4.082 4.320 0.001 0.000 0.206 601 K C 1.849 178.442 176.600 -0.012 0.000 1.049 601 K CA 1.740 57.997 56.287 -0.050 0.000 0.933 601 K CB -0.336 32.109 32.500 -0.092 0.000 0.717 601 K HN 0.466 nan 8.250 nan 0.000 0.442 602 D N 0.451 120.833 120.400 -0.029 0.000 2.144 602 D HA -0.142 4.498 4.640 0.001 0.000 0.199 602 D C 1.896 178.231 176.300 0.058 0.000 0.984 602 D CA 1.609 55.619 54.000 0.017 0.000 0.834 602 D CB 0.113 40.929 40.800 0.026 0.000 0.955 602 D HN 0.156 nan 8.370 nan 0.000 0.465 603 S N -0.829 114.922 115.700 0.085 0.000 2.470 603 S HA 0.006 4.476 4.470 0.001 0.000 0.225 603 S C 1.916 176.573 174.600 0.095 0.000 1.006 603 S CA 0.186 58.462 58.200 0.127 0.000 0.934 603 S CB -0.296 63.068 63.200 0.273 0.000 0.778 603 S HN 0.343 nan 8.310 nan 0.000 0.517 604 L N 1.485 122.753 121.223 0.075 0.000 2.567 604 L HA 0.185 4.526 4.340 0.001 0.000 0.225 604 L C 2.604 179.590 176.870 0.194 0.000 1.119 604 L CA 0.126 55.034 54.840 0.113 0.000 0.871 604 L CB -0.544 41.561 42.059 0.078 0.000 1.036 604 L HN 0.466 nan 8.230 nan 0.000 0.459 605 N N 0.947 119.731 118.700 0.140 0.000 2.037 605 N HA -0.268 4.472 4.740 0.001 0.000 0.196 605 N C 1.520 177.126 175.510 0.160 0.000 1.034 605 N CA 1.851 54.979 53.050 0.130 0.000 0.861 605 N CB 0.131 38.654 38.487 0.060 0.000 1.039 605 N HN 0.441 nan 8.380 nan 0.000 0.427 606 E N -0.599 119.692 120.200 0.151 0.000 2.058 606 E HA -0.244 4.106 4.350 0.001 0.000 0.194 606 E C 1.908 178.664 176.600 0.261 0.000 0.997 606 E CA 1.359 57.863 56.400 0.174 0.000 0.801 606 E CB -0.337 29.459 29.700 0.158 0.000 0.746 606 E HN 0.509 nan 8.360 nan 0.000 0.450 607 Y N 1.058 121.445 120.300 0.144 0.000 2.145 607 Y HA -0.205 4.345 4.550 0.001 0.000 0.286 607 Y C 2.227 178.221 175.900 0.157 0.000 1.145 607 Y CA 1.647 59.854 58.100 0.178 0.000 1.148 607 Y CB -0.333 38.212 38.460 0.141 0.000 0.981 607 Y HN -0.015 nan 8.280 nan 0.000 0.507 608 A N -0.924 122.006 122.820 0.183 0.000 2.015 608 A HA -0.183 4.137 4.320 0.001 0.000 0.219 608 A C 2.037 179.587 177.584 -0.056 0.000 1.163 608 A CA 1.247 53.285 52.037 0.003 0.000 0.646 608 A CB -1.425 17.728 19.000 0.255 0.000 0.806 608 A HN 0.723 nan 8.150 nan 0.000 0.448 609 Y N 0.807 121.065 120.300 -0.071 0.000 2.128 609 Y HA -0.192 4.358 4.550 0.001 0.000 0.284 609 Y C 2.659 178.487 175.900 -0.119 0.000 1.154 609 Y CA 1.301 59.335 58.100 -0.110 0.000 1.149 609 Y CB -0.569 37.815 38.460 -0.128 0.000 0.976 609 Y HN 0.321 nan 8.280 nan 0.000 0.505 610 A N 0.234 123.047 122.820 -0.012 0.000 1.908 610 A HA -0.161 4.159 4.320 0.001 0.000 0.218 610 A C 2.451 179.956 177.584 -0.132 0.000 1.181 610 A CA 2.101 54.148 52.037 0.018 0.000 0.627 610 A CB -1.533 17.606 19.000 0.232 0.000 0.818 610 A HN 0.593 nan 8.150 nan 0.000 0.445 611 A N -0.260 122.282 122.820 -0.462 0.000 1.877 611 A HA -0.181 4.139 4.320 0.001 0.000 0.216 611 A C 1.967 179.343 177.584 -0.346 0.000 1.186 611 A CA 2.189 53.776 52.037 -0.751 0.000 0.620 611 A CB -0.581 17.607 19.000 -1.353 0.000 0.822 611 A HN 0.601 nan 8.150 nan 0.000 0.443 612 E N 0.244 120.249 120.200 -0.325 0.000 2.070 612 E HA -0.185 4.165 4.350 0.001 0.000 0.197 612 E C 1.812 178.264 176.600 -0.247 0.000 1.004 612 E CA 1.578 57.816 56.400 -0.271 0.000 0.805 612 E CB -0.443 29.065 29.700 -0.319 0.000 0.744 612 E HN 0.591 nan 8.360 nan 0.000 0.451 613 L N -0.192 120.841 121.223 -0.316 0.000 2.127 613 L HA -0.108 4.232 4.340 0.001 0.000 0.211 613 L C 1.984 178.833 176.870 -0.035 0.000 1.089 613 L CA 1.001 55.722 54.840 -0.199 0.000 0.757 613 L CB -0.405 41.548 42.059 -0.177 0.000 0.899 613 L HN 0.201 nan 8.230 nan 0.000 0.434 614 A N -0.231 122.594 122.820 0.008 0.000 2.359 614 A HA 0.377 4.698 4.320 0.001 0.000 0.240 614 A C 1.553 179.275 177.584 0.230 0.000 1.306 614 A CA 0.488 52.611 52.037 0.143 0.000 0.898 614 A CB -0.740 18.372 19.000 0.187 0.000 0.956 614 A HN 0.501 nan 8.150 nan 0.000 0.497 615 G N -0.926 107.928 108.800 0.089 0.000 2.198 615 G HA2 -0.216 3.745 3.960 0.001 0.000 0.260 615 G HA3 -0.216 3.745 3.960 0.001 0.000 0.260 615 G C 0.006 174.846 174.900 -0.100 0.000 1.025 615 G CA 0.515 45.601 45.100 -0.023 0.000 0.769 615 G HN 0.741 nan 8.290 nan 0.000 0.507 616 L N 1.073 122.255 121.223 -0.069 0.000 2.318 616 L HA 0.699 5.040 4.340 0.001 0.000 0.277 616 L C -0.033 176.760 176.870 -0.128 0.000 1.008 616 L CA -0.417 54.368 54.840 -0.092 0.000 0.846 616 L CB 1.549 43.546 42.059 -0.104 0.000 1.220 616 L HN 0.200 nan 8.230 nan 0.000 0.423 617 S N 3.759 119.405 115.700 -0.090 0.000 2.638 617 S HA 0.779 5.249 4.470 0.001 0.000 0.302 617 S C -1.336 173.288 174.600 0.040 0.000 1.096 617 S CA -0.388 57.775 58.200 -0.061 0.000 0.953 617 S CB 1.640 64.775 63.200 -0.108 0.000 1.107 617 S HN 0.517 nan 8.310 nan 0.000 0.503 618 Y N 0.564 120.793 120.300 -0.119 0.000 2.581 618 Y HA 0.754 5.304 4.550 0.001 0.000 0.337 618 Y C -1.665 174.175 175.900 -0.100 0.000 1.108 618 Y CA -0.987 57.047 58.100 -0.110 0.000 1.033 618 Y CB 1.256 39.651 38.460 -0.108 0.000 1.318 618 Y HN 0.548 nan 8.280 nan 0.000 0.459 619 D N 2.728 123.044 120.400 -0.140 0.000 2.649 619 D HA 0.550 5.190 4.640 0.001 0.000 0.249 619 D C -2.186 174.064 176.300 -0.084 0.000 1.112 619 D CA -0.279 53.601 54.000 -0.200 0.000 0.850 619 D CB 2.132 42.898 40.800 -0.057 0.000 1.399 619 D HN 0.732 nan 8.370 nan 0.000 0.503 620 L N 4.009 125.191 121.223 -0.068 0.000 2.439 620 L HA 0.500 4.840 4.340 0.001 0.000 0.270 620 L C -1.590 175.287 176.870 0.012 0.000 0.972 620 L CA -0.153 54.692 54.840 0.008 0.000 0.836 620 L CB 1.336 43.445 42.059 0.084 0.000 1.255 620 L HN 0.616 nan 8.230 nan 0.000 0.404 621 Q N 2.429 122.292 119.800 0.105 0.000 2.482 621 Q HA 0.463 4.804 4.340 0.001 0.000 0.286 621 Q C -1.483 174.631 176.000 0.190 0.000 1.007 621 Q CA -0.995 54.886 55.803 0.131 0.000 0.801 621 Q CB 1.677 30.525 28.738 0.184 0.000 1.455 621 Q HN 0.745 nan 8.270 nan 0.000 0.398 622 N N 0.064 118.879 118.700 0.192 0.000 2.513 622 N HA 0.495 5.236 4.740 0.001 0.000 0.274 622 N C -0.433 175.205 175.510 0.214 0.000 1.189 622 N CA -0.088 53.105 53.050 0.238 0.000 0.975 622 N CB 1.537 40.198 38.487 0.290 0.000 1.157 622 N HN 0.814 nan 8.380 nan 0.000 0.465 623 T N -2.632 112.035 114.554 0.188 0.000 2.858 623 T HA 0.303 4.653 4.350 0.001 0.000 0.285 623 T C 1.127 175.802 174.700 -0.040 0.000 1.052 623 T CA -1.009 61.128 62.100 0.061 0.000 1.009 623 T CB 0.554 69.456 68.868 0.057 0.000 1.241 623 T HN 0.629 nan 8.240 nan 0.000 0.542 624 I N -2.013 118.338 120.570 -0.365 0.000 3.111 624 I HA 0.178 4.349 4.170 0.001 0.000 0.272 624 I C 0.892 176.797 176.117 -0.353 0.000 1.268 624 I CA 0.611 61.458 61.300 -0.755 0.000 1.467 624 I CB -0.496 36.828 38.000 -1.127 0.000 1.087 624 I HN 0.601 nan 8.210 nan 0.000 0.467 625 Y N 1.287 121.620 120.300 0.054 0.000 2.500 625 Y HA 0.529 5.080 4.550 0.001 0.000 0.246 625 Y C 1.458 177.469 175.900 0.185 0.000 1.146 625 Y CA -0.149 58.028 58.100 0.129 0.000 1.230 625 Y CB 1.103 39.640 38.460 0.128 0.000 1.214 625 Y HN 0.364 nan 8.280 nan 0.000 0.526 626 G N 0.411 109.391 108.800 0.300 0.000 2.152 626 G HA2 0.069 4.029 3.960 0.001 0.000 0.058 626 G HA3 0.069 4.029 3.960 0.001 0.000 0.058 626 G C -1.049 174.023 174.900 0.286 0.000 0.966 626 G CA -0.758 44.527 45.100 0.309 0.000 1.149 626 G HN -0.059 nan 8.290 nan 0.000 0.402 627 M N -0.039 119.739 119.600 0.297 0.000 2.550 627 M HA 0.628 5.109 4.480 0.001 0.000 0.292 627 M C -1.598 174.966 176.300 0.440 0.000 1.221 627 M CA -0.749 54.745 55.300 0.324 0.000 0.873 627 M CB 3.020 35.765 32.600 0.242 0.000 1.727 627 M HN 0.588 nan 8.290 nan 0.000 0.459 628 Y N 2.598 123.056 120.300 0.263 0.000 2.376 628 Y HA 0.760 5.310 4.550 0.001 0.000 0.340 628 Y C -2.110 173.959 175.900 0.281 0.000 0.965 628 Y CA -1.090 57.183 58.100 0.288 0.000 1.078 628 Y CB 1.313 39.913 38.460 0.233 0.000 1.193 628 Y HN 0.669 nan 8.280 nan 0.000 0.452 629 L N 5.866 126.920 121.223 -0.281 0.000 2.410 629 L HA 0.630 4.971 4.340 0.001 0.000 0.270 629 L C -1.426 175.184 176.870 -0.432 0.000 0.983 629 L CA -0.351 54.348 54.840 -0.236 0.000 0.822 629 L CB 1.958 44.118 42.059 0.168 0.000 1.285 629 L HN 0.730 nan 8.230 nan 0.000 0.409 630 S N 3.536 119.001 115.700 -0.393 0.000 2.672 630 S HA 0.669 5.139 4.470 0.001 0.000 0.291 630 S C -1.257 173.318 174.600 -0.043 0.000 1.145 630 S CA -0.387 57.656 58.200 -0.261 0.000 1.013 630 S CB 1.635 64.634 63.200 -0.335 0.000 1.017 630 S HN 0.342 nan 8.310 nan 0.000 0.487 631 V N 6.303 126.228 119.914 0.017 0.000 2.409 631 V HA 0.586 4.706 4.120 0.001 0.000 0.291 631 V C -0.315 175.775 176.094 -0.007 0.000 1.020 631 V CA -0.609 61.717 62.300 0.044 0.000 0.848 631 V CB 1.506 33.369 31.823 0.067 0.000 0.990 631 V HN 0.819 nan 8.190 nan 0.000 0.430 632 K N 2.805 123.185 120.400 -0.033 0.000 2.443 632 K HA 0.928 5.248 4.320 0.001 0.000 0.251 632 K C 0.151 176.687 176.600 -0.106 0.000 0.972 632 K CA -0.397 55.844 56.287 -0.078 0.000 0.833 632 K CB 2.678 35.117 32.500 -0.102 0.000 1.317 632 K HN 0.992 nan 8.250 nan 0.000 0.441 633 G N 0.210 108.919 108.800 -0.152 0.000 2.306 633 G HA2 -0.135 3.825 3.960 0.001 0.000 0.262 633 G HA3 -0.135 3.825 3.960 0.001 0.000 0.262 633 G C -1.581 173.207 174.900 -0.187 0.000 1.263 633 G CA -1.033 43.918 45.100 -0.248 0.000 1.088 633 G HN 0.343 nan 8.290 nan 0.000 0.489 634 Y N 2.541 122.833 120.300 -0.014 0.000 2.620 634 Y HA 0.133 4.683 4.550 0.001 0.000 0.330 634 Y C 2.253 178.131 175.900 -0.036 0.000 1.186 634 Y CA 0.443 58.529 58.100 -0.023 0.000 1.467 634 Y CB 0.446 38.912 38.460 0.010 0.000 1.262 634 Y HN 0.629 nan 8.280 nan 0.000 0.550 635 N N 1.104 119.866 118.700 0.104 0.000 2.331 635 N HA -0.203 4.537 4.740 0.001 0.000 0.180 635 N C 1.229 176.757 175.510 0.030 0.000 1.019 635 N CA 1.178 54.257 53.050 0.049 0.000 0.881 635 N CB -0.221 38.284 38.487 0.030 0.000 0.972 635 N HN 0.747 nan 8.380 nan 0.000 0.435 636 D N 1.761 122.153 120.400 -0.013 0.000 2.269 636 D HA -0.204 4.436 4.640 0.001 0.000 0.191 636 D C 0.890 177.186 176.300 -0.007 0.000 1.007 636 D CA 1.838 55.797 54.000 -0.069 0.000 0.855 636 D CB -0.130 40.553 40.800 -0.195 0.000 0.979 636 D HN 0.357 nan 8.370 nan 0.000 0.452 637 K N -0.357 120.075 120.400 0.054 0.000 2.397 637 K HA 0.161 4.481 4.320 0.001 0.000 0.202 637 K C 1.943 178.634 176.600 0.152 0.000 1.022 637 K CA -0.197 56.159 56.287 0.115 0.000 1.141 637 K CB 0.448 33.072 32.500 0.206 0.000 0.857 637 K HN 0.283 nan 8.250 nan 0.000 0.514 638 Q N 0.489 120.351 119.800 0.102 0.000 2.135 638 Q HA -0.134 4.206 4.340 0.001 0.000 0.204 638 Q C -0.999 175.051 176.000 0.084 0.000 0.981 638 Q CA 1.430 57.284 55.803 0.086 0.000 0.856 638 Q CB -0.807 27.971 28.738 0.066 0.000 0.902 638 Q HN 0.208 nan 8.270 nan 0.000 0.425 639 P HA -0.162 nan 4.420 nan 0.000 0.216 639 P C 1.057 178.398 177.300 0.067 0.000 1.150 639 P CA 1.163 64.300 63.100 0.061 0.000 0.837 639 P CB -0.039 31.688 31.700 0.045 0.000 0.786 640 I N -1.580 119.052 120.570 0.103 0.000 2.202 640 I HA -0.208 3.963 4.170 0.001 0.000 0.242 640 I C 2.226 178.466 176.117 0.205 0.000 1.091 640 I CA 1.054 62.438 61.300 0.139 0.000 1.368 640 I CB -0.659 37.430 38.000 0.149 0.000 1.058 640 I HN -0.055 nan 8.210 nan 0.000 0.410 641 L N 0.666 122.040 121.223 0.250 0.000 2.027 641 L HA -0.170 4.170 4.340 0.001 0.000 0.206 641 L C 2.259 179.130 176.870 0.002 0.000 1.074 641 L CA 1.653 56.607 54.840 0.191 0.000 0.745 641 L CB -0.559 41.526 42.059 0.043 0.000 0.898 641 L HN 0.169 nan 8.230 nan 0.000 0.433 642 L N -0.286 120.923 121.223 -0.022 0.000 2.012 642 L HA -0.278 4.063 4.340 0.001 0.000 0.210 642 L C 2.659 179.463 176.870 -0.109 0.000 1.073 642 L CA 2.142 56.925 54.840 -0.095 0.000 0.748 642 L CB -0.418 41.614 42.059 -0.045 0.000 0.891 642 L HN 0.462 nan 8.230 nan 0.000 0.431 643 K N 0.190 120.561 120.400 -0.048 0.000 2.057 643 K HA -0.287 4.034 4.320 0.001 0.000 0.207 643 K C 2.188 178.737 176.600 -0.084 0.000 1.049 643 K CA 1.768 58.025 56.287 -0.051 0.000 0.931 643 K CB 0.009 32.502 32.500 -0.011 0.000 0.714 643 K HN 0.037 nan 8.250 nan 0.000 0.440 644 K N 1.227 121.582 120.400 -0.075 0.000 2.057 644 K HA -0.078 4.242 4.320 0.001 0.000 0.207 644 K C 1.831 178.306 176.600 -0.208 0.000 1.049 644 K CA 1.474 57.673 56.287 -0.146 0.000 0.931 644 K CB -0.213 32.202 32.500 -0.141 0.000 0.714 644 K HN 0.227 nan 8.250 nan 0.000 0.440 645 I N 0.484 120.914 120.570 -0.233 0.000 2.142 645 I HA -0.268 3.903 4.170 0.001 0.000 0.240 645 I C 1.871 177.830 176.117 -0.264 0.000 1.078 645 I CA 0.810 61.923 61.300 -0.312 0.000 1.343 645 I CB -0.319 37.425 38.000 -0.428 0.000 1.046 645 I HN 0.124 nan 8.210 nan 0.000 0.405 646 I N 0.674 121.109 120.570 -0.225 0.000 2.179 646 I HA -0.259 3.912 4.170 0.001 0.000 0.242 646 I C 2.461 178.483 176.117 -0.158 0.000 1.088 646 I CA 1.627 62.811 61.300 -0.194 0.000 1.357 646 I CB -1.391 36.521 38.000 -0.147 0.000 1.051 646 I HN 0.326 nan 8.210 nan 0.000 0.409 647 E N 0.566 120.673 120.200 -0.154 0.000 2.118 647 E HA -0.233 4.117 4.350 0.001 0.000 0.195 647 E C 2.234 178.701 176.600 -0.220 0.000 0.992 647 E CA 1.125 57.405 56.400 -0.201 0.000 0.804 647 E CB 0.073 29.655 29.700 -0.197 0.000 0.741 647 E HN 0.287 nan 8.360 nan 0.000 0.458 648 K N 0.345 120.635 120.400 -0.182 0.000 2.103 648 K HA -0.099 4.221 4.320 0.001 0.000 0.204 648 K C 2.275 178.833 176.600 -0.071 0.000 1.052 648 K CA 1.220 57.433 56.287 -0.124 0.000 0.945 648 K CB -0.066 32.340 32.500 -0.157 0.000 0.722 648 K HN 0.273 nan 8.250 nan 0.000 0.443 649 M N -1.714 117.800 119.600 -0.143 0.000 2.374 649 M HA 0.052 4.533 4.480 0.001 0.000 0.264 649 M C 1.717 178.059 176.300 0.069 0.000 1.067 649 M CA 1.621 56.876 55.300 -0.075 0.000 1.103 649 M CB -0.107 32.380 32.600 -0.188 0.000 1.402 649 M HN -0.100 nan 8.290 nan 0.000 0.444 650 A N 0.626 123.435 122.820 -0.020 0.000 2.238 650 A HA 0.133 4.453 4.320 0.001 0.000 0.210 650 A C 1.725 179.303 177.584 -0.011 0.000 1.179 650 A CA 0.882 52.913 52.037 -0.010 0.000 0.827 650 A CB -0.374 18.617 19.000 -0.014 0.000 0.856 650 A HN 0.663 nan 8.150 nan 0.000 0.488 651 T N -4.615 109.926 114.554 -0.022 0.000 3.275 651 T HA 0.317 4.667 4.350 0.001 0.000 0.298 651 T C -0.124 174.612 174.700 0.059 0.000 0.988 651 T CA -0.499 61.579 62.100 -0.037 0.000 0.936 651 T CB -0.712 68.044 68.868 -0.187 0.000 1.159 651 T HN 0.048 nan 8.240 nan 0.000 0.519 652 F N 3.383 123.310 119.950 -0.037 0.000 2.608 652 F HA 0.334 4.862 4.527 0.001 0.000 0.380 652 F C 0.275 176.073 175.800 -0.004 0.000 1.083 652 F CA -0.582 57.420 58.000 0.002 0.000 1.266 652 F CB 0.297 39.365 39.000 0.112 0.000 1.076 652 F HN 0.240 nan 8.300 nan 0.000 0.574 653 E N 7.128 126.955 120.200 -0.622 0.000 2.182 653 E HA 0.300 4.651 4.350 0.001 0.000 0.258 653 E C -0.565 175.516 176.600 -0.864 0.000 0.879 653 E CA -0.559 55.508 56.400 -0.556 0.000 0.754 653 E CB 1.311 30.845 29.700 -0.277 0.000 1.162 653 E HN 0.488 nan 8.360 nan 0.000 0.419 654 I N 2.245 122.360 120.570 -0.758 0.000 2.556 654 I HA -0.015 4.155 4.170 0.001 0.000 0.284 654 I C 0.475 176.439 176.117 -0.254 0.000 1.114 654 I CA 0.009 60.989 61.300 -0.533 0.000 1.418 654 I CB 0.262 38.089 38.000 -0.289 0.000 1.394 654 I HN 0.429 nan 8.210 nan 0.000 0.552 655 D N 5.860 126.183 120.400 -0.127 0.000 2.295 655 D HA 0.020 4.661 4.640 0.001 0.000 0.248 655 D C 0.916 177.239 176.300 0.038 0.000 1.154 655 D CA -0.089 53.886 54.000 -0.041 0.000 0.857 655 D CB 1.134 41.933 40.800 -0.003 0.000 1.117 655 D HN 0.600 nan 8.370 nan 0.000 0.468 656 E N 3.271 123.484 120.200 0.022 0.000 2.085 656 E HA -0.239 4.112 4.350 0.001 0.000 0.194 656 E C 1.303 178.005 176.600 0.169 0.000 0.994 656 E CA 0.945 57.402 56.400 0.095 0.000 0.801 656 E CB 0.322 30.047 29.700 0.041 0.000 0.743 656 E HN 0.273 nan 8.360 nan 0.000 0.453 657 K N 0.467 120.920 120.400 0.089 0.000 2.026 657 K HA -0.116 4.205 4.320 0.001 0.000 0.208 657 K C 2.183 178.830 176.600 0.079 0.000 1.048 657 K CA 0.988 57.316 56.287 0.068 0.000 0.929 657 K CB -0.174 32.338 32.500 0.020 0.000 0.713 657 K HN 0.092 nan 8.250 nan 0.000 0.439 658 R N -0.099 120.452 120.500 0.086 0.000 2.081 658 R HA -0.137 4.203 4.340 0.001 0.000 0.235 658 R C 2.274 178.648 176.300 0.124 0.000 1.131 658 R CA 1.035 57.188 56.100 0.089 0.000 0.960 658 R CB -0.845 29.515 30.300 0.099 0.000 0.856 658 R HN 0.247 nan 8.270 nan 0.000 0.436 659 F N 2.653 122.626 119.950 0.037 0.000 2.095 659 F HA -0.200 4.327 4.527 0.001 0.000 0.298 659 F C 2.122 177.953 175.800 0.052 0.000 1.104 659 F CA 1.603 59.633 58.000 0.050 0.000 1.232 659 F CB -0.075 38.948 39.000 0.038 0.000 0.987 659 F HN -0.068 nan 8.300 nan 0.000 0.475 660 E N 0.653 120.790 120.200 -0.106 0.000 2.106 660 E HA -0.166 4.185 4.350 0.001 0.000 0.192 660 E C 2.508 179.019 176.600 -0.148 0.000 0.984 660 E CA 1.532 57.807 56.400 -0.208 0.000 0.806 660 E CB -0.467 29.230 29.700 -0.005 0.000 0.750 660 E HN 0.527 nan 8.360 nan 0.000 0.458 661 I N 0.910 121.445 120.570 -0.058 0.000 2.179 661 I HA -0.250 3.920 4.170 0.001 0.000 0.242 661 I C 2.458 178.558 176.117 -0.028 0.000 1.088 661 I CA 0.987 62.273 61.300 -0.023 0.000 1.357 661 I CB -0.231 37.775 38.000 0.009 0.000 1.051 661 I HN 0.026 nan 8.210 nan 0.000 0.409 662 I N 0.604 121.152 120.570 -0.036 0.000 2.394 662 I HA -0.288 3.882 4.170 0.001 0.000 0.251 662 I C 2.605 178.726 176.117 0.006 0.000 1.136 662 I CA 1.234 62.532 61.300 -0.004 0.000 1.425 662 I CB -0.357 37.643 38.000 -0.001 0.000 1.079 662 I HN 0.223 nan 8.210 nan 0.000 0.425 663 K N 0.937 121.254 120.400 -0.139 0.000 2.057 663 K HA -0.236 4.084 4.320 0.001 0.000 0.206 663 K C 2.213 178.811 176.600 -0.002 0.000 1.050 663 K CA 1.356 57.578 56.287 -0.108 0.000 0.935 663 K CB -0.051 32.191 32.500 -0.431 0.000 0.715 663 K HN 0.133 nan 8.250 nan 0.000 0.439 664 E N 0.599 120.772 120.200 -0.045 0.000 2.106 664 E HA -0.154 4.197 4.350 0.001 0.000 0.192 664 E C 1.672 178.285 176.600 0.022 0.000 0.984 664 E CA 1.237 57.627 56.400 -0.017 0.000 0.806 664 E CB -0.038 29.649 29.700 -0.023 0.000 0.750 664 E HN 0.412 nan 8.360 nan 0.000 0.458 665 A N 0.190 123.043 122.820 0.055 0.000 1.929 665 A HA -0.172 4.148 4.320 0.001 0.000 0.216 665 A C 2.079 179.751 177.584 0.147 0.000 1.176 665 A CA 1.243 53.330 52.037 0.083 0.000 0.628 665 A CB -0.794 18.258 19.000 0.087 0.000 0.816 665 A HN 0.440 nan 8.150 nan 0.000 0.444 666 Y N -0.227 120.096 120.300 0.039 0.000 2.242 666 Y HA -0.144 4.406 4.550 0.001 0.000 0.291 666 Y C 2.138 178.031 175.900 -0.012 0.000 1.137 666 Y CA 1.860 59.989 58.100 0.047 0.000 1.181 666 Y CB -0.441 38.093 38.460 0.122 0.000 0.989 666 Y HN 0.332 nan 8.280 nan 0.000 0.527 667 M N 0.630 120.164 119.600 -0.111 0.000 2.086 667 M HA -0.167 4.314 4.480 0.001 0.000 0.261 667 M C 2.170 178.384 176.300 -0.144 0.000 1.067 667 M CA 1.853 57.028 55.300 -0.209 0.000 1.116 667 M CB -0.471 32.064 32.600 -0.107 0.000 1.348 667 M HN 0.131 nan 8.290 nan 0.000 0.407 668 R N -0.985 119.480 120.500 -0.059 0.000 2.081 668 R HA -0.120 4.221 4.340 0.001 0.000 0.235 668 R C 2.524 178.811 176.300 -0.021 0.000 1.131 668 R CA 1.597 57.680 56.100 -0.029 0.000 0.960 668 R CB -0.775 29.525 30.300 -0.001 0.000 0.856 668 R HN 0.546 nan 8.270 nan 0.000 0.436 669 S N 0.946 116.642 115.700 -0.007 0.000 2.359 669 S HA -0.122 4.348 4.470 0.001 0.000 0.224 669 S C 1.952 176.532 174.600 -0.033 0.000 1.035 669 S CA 1.142 59.353 58.200 0.018 0.000 1.018 669 S CB -0.137 63.118 63.200 0.091 0.000 0.876 669 S HN 0.221 nan 8.310 nan 0.000 0.448 670 L N 1.430 122.559 121.223 -0.157 0.000 2.056 670 L HA -0.090 4.250 4.340 0.001 0.000 0.207 670 L C 2.628 179.458 176.870 -0.067 0.000 1.078 670 L CA 1.219 55.949 54.840 -0.183 0.000 0.749 670 L CB -0.670 41.180 42.059 -0.348 0.000 0.901 670 L HN 0.341 nan 8.230 nan 0.000 0.433 671 N N 0.493 119.157 118.700 -0.059 0.000 2.166 671 N HA -0.175 4.566 4.740 0.001 0.000 0.186 671 N C 1.446 176.979 175.510 0.038 0.000 1.019 671 N CA 1.309 54.354 53.050 -0.008 0.000 0.856 671 N CB -0.441 38.034 38.487 -0.020 0.000 0.993 671 N HN 0.459 nan 8.380 nan 0.000 0.426 672 N N -0.011 118.713 118.700 0.041 0.000 2.519 672 N HA -0.122 4.618 4.740 0.001 0.000 0.186 672 N C 1.173 176.738 175.510 0.091 0.000 1.062 672 N CA 0.050 53.135 53.050 0.058 0.000 0.910 672 N CB -0.163 38.356 38.487 0.053 0.000 0.958 672 N HN 0.147 nan 8.380 nan 0.000 0.445 673 F N 2.661 122.582 119.950 -0.047 0.000 2.365 673 F HA -0.066 4.462 4.527 0.001 0.000 0.300 673 F C 2.295 178.137 175.800 0.071 0.000 1.090 673 F CA 0.822 58.785 58.000 -0.061 0.000 1.408 673 F CB -0.019 38.848 39.000 -0.223 0.000 1.060 673 F HN 0.015 nan 8.300 nan 0.000 0.534 674 R N 0.437 120.969 120.500 0.053 0.000 2.189 674 R HA -0.013 4.327 4.340 0.001 0.000 0.223 674 R C 1.714 178.061 176.300 0.079 0.000 1.092 674 R CA 1.274 57.431 56.100 0.095 0.000 0.989 674 R CB -0.849 29.506 30.300 0.093 0.000 0.876 674 R HN 0.241 nan 8.270 nan 0.000 0.457 675 A N 1.057 123.883 122.820 0.011 0.000 2.251 675 A HA 0.111 4.431 4.320 0.001 0.000 0.209 675 A C 0.042 177.656 177.584 0.050 0.000 1.187 675 A CA -0.201 51.850 52.037 0.024 0.000 0.823 675 A CB 0.023 19.035 19.000 0.020 0.000 0.846 675 A HN 0.235 nan 8.150 nan 0.000 0.486 676 E N 0.841 120.924 120.200 -0.195 0.000 2.392 676 E HA 0.144 4.495 4.350 0.001 0.000 0.256 676 E C -0.040 176.196 176.600 -0.608 0.000 1.145 676 E CA -0.093 56.089 56.400 -0.364 0.000 0.929 676 E CB 0.263 29.582 29.700 -0.635 0.000 0.998 676 E HN 0.517 nan 8.360 nan 0.000 0.442 677 Q N 1.093 120.500 119.800 -0.654 0.000 2.421 677 Q HA 0.024 4.365 4.340 0.001 0.000 0.255 677 Q C -1.548 174.047 176.000 -0.675 0.000 1.013 677 Q CA -1.353 53.959 55.803 -0.819 0.000 0.895 677 Q CB 0.097 28.567 28.738 -0.446 0.000 1.271 677 Q HN 0.183 nan 8.270 nan 0.000 0.460 678 P HA -0.265 nan 4.420 nan 0.000 0.215 678 P C 1.019 178.296 177.300 -0.038 0.000 1.157 678 P CA 1.612 64.596 63.100 -0.192 0.000 0.874 678 P CB -0.076 31.602 31.700 -0.036 0.000 0.790 679 H N -0.516 118.522 119.070 -0.053 0.000 2.489 679 H HA -0.053 4.503 4.556 0.001 0.000 0.293 679 H C 1.441 176.797 175.328 0.048 0.000 1.066 679 H CA 1.161 57.228 56.048 0.032 0.000 1.305 679 H CB -0.851 28.930 29.762 0.032 0.000 1.386 679 H HN 0.263 nan 8.280 nan 0.000 0.551 680 Q N 0.445 119.893 119.800 -0.587 0.000 2.137 680 Q HA -0.069 4.271 4.340 0.001 0.000 0.198 680 Q C 2.063 178.086 176.000 0.037 0.000 0.960 680 Q CA 0.733 56.337 55.803 -0.331 0.000 0.847 680 Q CB -0.184 28.313 28.738 -0.402 0.000 0.915 680 Q HN 0.777 nan 8.270 nan 0.000 0.448 681 H N 0.548 119.517 119.070 -0.168 0.000 2.353 681 H HA -0.072 4.485 4.556 0.001 0.000 0.300 681 H C 2.233 177.549 175.328 -0.020 0.000 1.090 681 H CA 0.611 56.581 56.048 -0.130 0.000 1.327 681 H CB 0.194 29.905 29.762 -0.085 0.000 1.383 681 H HN 0.302 nan 8.280 nan 0.000 0.508 682 A N 1.214 124.202 122.820 0.280 0.000 1.892 682 A HA -0.243 4.078 4.320 0.001 0.000 0.218 682 A C 2.428 180.168 177.584 0.261 0.000 1.188 682 A CA 1.859 54.103 52.037 0.346 0.000 0.631 682 A CB -0.716 18.466 19.000 0.302 0.000 0.822 682 A HN 0.305 nan 8.150 nan 0.000 0.447 683 M N -2.347 117.364 119.600 0.184 0.000 2.117 683 M HA -0.135 4.345 4.480 0.001 0.000 0.262 683 M C 2.250 178.622 176.300 0.119 0.000 1.065 683 M CA 2.029 57.408 55.300 0.132 0.000 1.114 683 M CB -0.541 32.115 32.600 0.094 0.000 1.361 683 M HN 0.629 nan 8.290 nan 0.000 0.408 684 Y N 0.438 120.733 120.300 -0.008 0.000 2.097 684 Y HA -0.308 4.242 4.550 0.001 0.000 0.282 684 Y C 2.012 177.868 175.900 -0.073 0.000 1.152 684 Y CA 1.675 59.720 58.100 -0.093 0.000 1.136 684 Y CB -0.717 37.670 38.460 -0.121 0.000 0.975 684 Y HN 0.119 nan 8.280 nan 0.000 0.498 685 Y N -0.424 119.879 120.300 0.006 0.000 2.181 685 Y HA -0.218 4.332 4.550 0.001 0.000 0.288 685 Y C 2.415 178.208 175.900 -0.179 0.000 1.146 685 Y CA 1.357 59.370 58.100 -0.144 0.000 1.164 685 Y CB -1.307 37.258 38.460 0.175 0.000 0.982 685 Y HN 0.286 nan 8.280 nan 0.000 0.515 686 L N 0.330 121.612 121.223 0.098 0.000 2.042 686 L HA -0.188 4.152 4.340 0.001 0.000 0.210 686 L C 2.485 179.314 176.870 -0.069 0.000 1.076 686 L CA 1.702 56.557 54.840 0.025 0.000 0.749 686 L CB -0.586 41.503 42.059 0.050 0.000 0.893 686 L HN 0.028 nan 8.230 nan 0.000 0.432 687 R N -0.913 119.524 120.500 -0.105 0.000 2.073 687 R HA -0.126 4.215 4.340 0.001 0.000 0.234 687 R C 2.285 178.477 176.300 -0.181 0.000 1.134 687 R CA 1.872 57.888 56.100 -0.139 0.000 0.952 687 R CB -0.385 29.836 30.300 -0.132 0.000 0.850 687 R HN 0.415 nan 8.270 nan 0.000 0.433 688 L N 0.080 121.141 121.223 -0.271 0.000 2.083 688 L HA -0.191 4.150 4.340 0.001 0.000 0.209 688 L C 2.266 179.016 176.870 -0.201 0.000 1.083 688 L CA 1.111 55.781 54.840 -0.284 0.000 0.752 688 L CB -0.395 41.432 42.059 -0.386 0.000 0.899 688 L HN 0.263 nan 8.230 nan 0.000 0.433 689 L N -1.090 120.027 121.223 -0.177 0.000 2.027 689 L HA -0.180 4.161 4.340 0.001 0.000 0.206 689 L C 2.376 179.278 176.870 0.054 0.000 1.074 689 L CA 0.978 55.760 54.840 -0.097 0.000 0.745 689 L CB -0.289 41.658 42.059 -0.187 0.000 0.898 689 L HN 0.320 nan 8.230 nan 0.000 0.433 690 M N -1.141 118.474 119.600 0.025 0.000 2.618 690 M HA 0.081 4.561 4.480 0.001 0.000 0.240 690 M C 0.329 176.639 176.300 0.016 0.000 1.123 690 M CA 0.569 55.912 55.300 0.071 0.000 1.060 690 M CB -0.740 31.908 32.600 0.080 0.000 1.535 690 M HN 0.047 nan 8.290 nan 0.000 0.507 691 T N 0.205 114.725 114.554 -0.056 0.000 2.824 691 T HA 0.177 4.527 4.350 0.001 0.000 0.280 691 T C 1.126 175.735 174.700 -0.151 0.000 0.995 691 T CA -0.515 61.530 62.100 -0.091 0.000 1.009 691 T CB 2.629 71.410 68.868 -0.144 0.000 0.955 691 T HN 0.287 nan 8.240 nan 0.000 0.452 692 E N 2.467 122.593 120.200 -0.123 0.000 2.055 692 E HA -0.159 4.192 4.350 0.001 0.000 0.209 692 E C -0.028 176.376 176.600 -0.328 0.000 1.036 692 E CA 1.356 57.664 56.400 -0.154 0.000 0.849 692 E CB 0.174 29.858 29.700 -0.026 0.000 0.767 692 E HN 0.399 nan 8.360 nan 0.000 0.461 693 V N 0.021 119.562 119.914 -0.622 0.000 2.540 693 V HA 0.688 4.808 4.120 0.001 0.000 0.302 693 V C -0.621 175.009 176.094 -0.774 0.000 1.035 693 V CA -0.157 61.656 62.300 -0.812 0.000 0.873 693 V CB 1.378 32.596 31.823 -1.008 0.000 0.992 693 V HN 0.373 nan 8.190 nan 0.000 0.428 694 A N 4.340 126.704 122.820 -0.760 0.000 2.500 694 A HA 0.631 4.951 4.320 0.001 0.000 0.291 694 A C -1.551 175.732 177.584 -0.502 0.000 1.048 694 A CA -0.638 51.106 52.037 -0.489 0.000 0.791 694 A CB 0.680 19.501 19.000 -0.298 0.000 1.309 694 A HN 0.783 nan 8.150 nan 0.000 0.397 695 W N 2.469 123.754 121.300 -0.025 0.000 2.316 695 W HA 0.485 5.145 4.660 0.001 0.000 0.311 695 W C 1.195 177.706 176.519 -0.014 0.000 1.217 695 W CA 0.020 57.310 57.345 -0.092 0.000 1.199 695 W CB 1.576 30.908 29.460 -0.213 0.000 1.202 695 W HN 0.800 nan 8.180 nan 0.000 0.528 696 T N -0.102 114.592 114.554 0.234 0.000 2.828 696 T HA 0.150 4.501 4.350 0.001 0.000 0.290 696 T C 1.265 176.073 174.700 0.179 0.000 1.019 696 T CA -0.669 61.549 62.100 0.197 0.000 1.031 696 T CB 1.205 70.176 68.868 0.172 0.000 1.001 696 T HN 0.367 nan 8.240 nan 0.000 0.531 697 K N 0.942 121.446 120.400 0.173 0.000 2.063 697 K HA -0.114 4.207 4.320 0.001 0.000 0.208 697 K C 1.787 178.394 176.600 0.013 0.000 1.048 697 K CA 1.531 57.825 56.287 0.012 0.000 0.928 697 K CB -0.525 31.910 32.500 -0.108 0.000 0.713 697 K HN 0.662 nan 8.250 nan 0.000 0.442 698 D N 1.136 121.577 120.400 0.068 0.000 2.117 698 D HA -0.131 4.509 4.640 0.001 0.000 0.197 698 D C 1.851 178.165 176.300 0.023 0.000 0.987 698 D CA 1.017 55.044 54.000 0.045 0.000 0.829 698 D CB -0.000 40.846 40.800 0.078 0.000 0.961 698 D HN 0.402 nan 8.370 nan 0.000 0.460 699 E N 0.408 120.638 120.200 0.049 0.000 2.106 699 E HA -0.085 4.265 4.350 0.001 0.000 0.192 699 E C 2.428 179.003 176.600 -0.041 0.000 0.984 699 E CA 0.386 56.795 56.400 0.016 0.000 0.806 699 E CB -0.030 29.716 29.700 0.077 0.000 0.750 699 E HN 0.267 nan 8.360 nan 0.000 0.458 700 L N 1.379 122.588 121.223 -0.024 0.000 2.027 700 L HA -0.190 4.150 4.340 0.001 0.000 0.206 700 L C 2.540 179.346 176.870 -0.106 0.000 1.074 700 L CA 1.429 56.234 54.840 -0.059 0.000 0.745 700 L CB -0.558 41.484 42.059 -0.027 0.000 0.898 700 L HN 0.144 nan 8.230 nan 0.000 0.433 701 K N 0.104 120.428 120.400 -0.127 0.000 2.288 701 K HA -0.178 4.142 4.320 0.001 0.000 0.201 701 K C 1.762 178.310 176.600 -0.087 0.000 1.048 701 K CA 1.198 57.397 56.287 -0.148 0.000 0.956 701 K CB -0.135 32.276 32.500 -0.149 0.000 0.746 701 K HN 0.305 nan 8.250 nan 0.000 0.461 702 E N 1.273 121.436 120.200 -0.062 0.000 2.072 702 E HA -0.087 4.263 4.350 0.001 0.000 0.190 702 E C 1.939 178.510 176.600 -0.049 0.000 0.982 702 E CA 0.971 57.344 56.400 -0.044 0.000 0.803 702 E CB -0.040 29.641 29.700 -0.032 0.000 0.755 702 E HN 0.443 nan 8.360 nan 0.000 0.453 703 A N 0.570 123.351 122.820 -0.066 0.000 2.066 703 A HA -0.061 4.259 4.320 0.001 0.000 0.218 703 A C 1.990 179.551 177.584 -0.039 0.000 1.157 703 A CA 0.521 52.518 52.037 -0.066 0.000 0.670 703 A CB -0.378 18.554 19.000 -0.113 0.000 0.804 703 A HN 0.351 nan 8.150 nan 0.000 0.453 704 L N 0.296 121.498 121.223 -0.035 0.000 2.017 704 L HA -0.163 4.178 4.340 0.001 0.000 0.208 704 L C 1.431 178.305 176.870 0.008 0.000 1.073 704 L CA 2.333 57.173 54.840 -0.001 0.000 0.745 704 L CB -0.702 41.331 42.059 -0.045 0.000 0.894 704 L HN 0.297 nan 8.230 nan 0.000 0.432 705 D N -0.181 120.212 120.400 -0.011 0.000 2.357 705 D HA -0.165 4.476 4.640 0.001 0.000 0.216 705 D C 1.061 177.373 176.300 0.020 0.000 0.973 705 D CA 0.998 54.999 54.000 0.002 0.000 0.912 705 D CB -0.104 40.692 40.800 -0.007 0.000 0.900 705 D HN 0.504 nan 8.370 nan 0.000 0.501 706 D N -0.397 120.014 120.400 0.018 0.000 2.402 706 D HA 0.043 4.684 4.640 0.001 0.000 0.216 706 D C -0.237 176.088 176.300 0.041 0.000 1.128 706 D CA -0.007 54.008 54.000 0.024 0.000 0.833 706 D CB 1.262 42.065 40.800 0.006 0.000 0.971 706 D HN -0.034 nan 8.370 nan 0.000 0.503 707 V N 2.208 122.166 119.914 0.073 0.000 2.389 707 V HA 0.165 4.285 4.120 0.001 0.000 0.264 707 V C 0.850 177.090 176.094 0.244 0.000 1.049 707 V CA -0.078 62.294 62.300 0.120 0.000 0.932 707 V CB 0.949 32.867 31.823 0.159 0.000 1.011 707 V HN 0.143 nan 8.190 nan 0.000 0.475 708 T N 2.347 116.993 114.554 0.152 0.000 2.950 708 T HA 0.488 4.839 4.350 0.001 0.000 0.288 708 T C 0.796 175.425 174.700 -0.119 0.000 1.035 708 T CA -0.709 61.469 62.100 0.131 0.000 1.028 708 T CB 1.720 70.617 68.868 0.049 0.000 1.109 708 T HN 0.212 nan 8.240 nan 0.000 0.514 709 L N 1.853 122.855 121.223 -0.367 0.000 1.990 709 L HA 0.140 4.480 4.340 0.001 0.000 0.213 709 L C -0.910 175.758 176.870 -0.336 0.000 1.072 709 L CA 1.853 56.271 54.840 -0.702 0.000 0.755 709 L CB -1.779 39.951 42.059 -0.549 0.000 0.889 709 L HN 0.558 nan 8.230 nan 0.000 0.432 710 P HA -0.191 nan 4.420 nan 0.000 0.216 710 P C 1.613 178.863 177.300 -0.083 0.000 1.153 710 P CA 1.481 64.514 63.100 -0.111 0.000 0.858 710 P CB -0.038 31.622 31.700 -0.067 0.000 0.789 711 R N -0.474 119.984 120.500 -0.070 0.000 2.081 711 R HA -0.058 4.282 4.340 0.001 0.000 0.235 711 R C 2.283 178.566 176.300 -0.028 0.000 1.131 711 R CA 1.185 57.263 56.100 -0.036 0.000 0.960 711 R CB -1.437 28.846 30.300 -0.029 0.000 0.856 711 R HN 0.129 nan 8.270 nan 0.000 0.436 712 L N 0.313 121.491 121.223 -0.075 0.000 2.056 712 L HA -0.189 4.151 4.340 0.001 0.000 0.207 712 L C 1.786 178.674 176.870 0.030 0.000 1.078 712 L CA 1.667 56.494 54.840 -0.021 0.000 0.749 712 L CB -0.193 41.809 42.059 -0.094 0.000 0.901 712 L HN 0.219 nan 8.230 nan 0.000 0.433 713 K N -0.311 120.049 120.400 -0.066 0.000 2.097 713 K HA -0.149 4.171 4.320 0.001 0.000 0.206 713 K C 2.022 178.597 176.600 -0.041 0.000 1.049 713 K CA 1.311 57.558 56.287 -0.066 0.000 0.933 713 K CB -0.202 32.235 32.500 -0.106 0.000 0.717 713 K HN 0.405 nan 8.250 nan 0.000 0.442 714 A N 0.945 123.753 122.820 -0.019 0.000 1.968 714 A HA -0.130 4.190 4.320 0.001 0.000 0.217 714 A C 1.929 179.512 177.584 -0.003 0.000 1.169 714 A CA 0.798 52.826 52.037 -0.015 0.000 0.638 714 A CB -0.560 18.441 19.000 0.001 0.000 0.812 714 A HN 0.361 nan 8.150 nan 0.000 0.446 715 F N 1.093 120.971 119.950 -0.119 0.000 2.134 715 F HA -0.179 4.349 4.527 0.001 0.000 0.299 715 F C 1.868 177.565 175.800 -0.173 0.000 1.097 715 F CA 1.706 59.627 58.000 -0.130 0.000 1.264 715 F CB -0.288 38.623 39.000 -0.148 0.000 1.001 715 F HN 0.195 nan 8.300 nan 0.000 0.479 716 I N 0.773 121.117 120.570 -0.377 0.000 2.127 716 I HA -0.258 3.912 4.170 0.001 0.000 0.241 716 I C -0.484 175.354 176.117 -0.464 0.000 1.075 716 I CA 1.572 62.501 61.300 -0.620 0.000 1.334 716 I CB -2.024 35.709 38.000 -0.443 0.000 1.040 716 I HN 0.129 nan 8.210 nan 0.000 0.405 717 P HA -0.211 nan 4.420 nan 0.000 0.216 717 P C 1.521 178.684 177.300 -0.230 0.000 1.150 717 P CA 1.321 64.311 63.100 -0.183 0.000 0.837 717 P CB 0.000 31.636 31.700 -0.107 0.000 0.786 718 Q N -0.334 119.279 119.800 -0.311 0.000 2.084 718 Q HA -0.149 4.192 4.340 0.001 0.000 0.202 718 Q C 2.006 177.735 176.000 -0.452 0.000 0.978 718 Q CA 1.401 56.968 55.803 -0.395 0.000 0.844 718 Q CB -1.393 27.084 28.738 -0.435 0.000 0.898 718 Q HN 0.078 nan 8.270 nan 0.000 0.426 719 L N -0.048 120.846 121.223 -0.549 0.000 2.042 719 L HA -0.117 4.224 4.340 0.001 0.000 0.210 719 L C 1.841 178.606 176.870 -0.174 0.000 1.076 719 L CA 1.819 56.412 54.840 -0.411 0.000 0.749 719 L CB -0.621 40.991 42.059 -0.746 0.000 0.893 719 L HN 0.443 nan 8.230 nan 0.000 0.432 720 L N -0.359 120.749 121.223 -0.191 0.000 2.509 720 L HA -0.039 4.301 4.340 0.001 0.000 0.222 720 L C 2.658 179.515 176.870 -0.022 0.000 1.123 720 L CA 0.693 55.488 54.840 -0.074 0.000 0.856 720 L CB -0.370 41.637 42.059 -0.087 0.000 0.985 720 L HN 0.314 nan 8.230 nan 0.000 0.456 721 S N 0.093 115.760 115.700 -0.054 0.000 2.383 721 S HA -0.164 4.307 4.470 0.001 0.000 0.229 721 S C 1.165 175.790 174.600 0.042 0.000 1.030 721 S CA 0.764 58.959 58.200 -0.009 0.000 1.002 721 S CB -0.072 63.096 63.200 -0.054 0.000 0.829 721 S HN 0.400 nan 8.310 nan 0.000 0.467 722 R N 0.058 120.597 120.500 0.066 0.000 2.514 722 R HA 0.747 5.087 4.340 0.001 0.000 0.296 722 R C -1.641 174.775 176.300 0.194 0.000 1.012 722 R CA -0.411 55.766 56.100 0.127 0.000 0.897 722 R CB 1.513 31.892 30.300 0.132 0.000 1.184 722 R HN 0.287 nan 8.270 nan 0.000 0.440 723 L N 1.071 122.430 121.223 0.226 0.000 2.491 723 L HA 0.532 4.872 4.340 0.001 0.000 0.254 723 L C -1.144 175.944 176.870 0.364 0.000 1.048 723 L CA -1.165 53.865 54.840 0.318 0.000 0.855 723 L CB 2.281 44.543 42.059 0.339 0.000 1.466 723 L HN 0.561 nan 8.230 nan 0.000 0.409 724 H N 0.735 120.010 119.070 0.342 0.000 2.679 724 H HA 0.709 5.265 4.556 0.001 0.000 0.360 724 H C -1.633 173.961 175.328 0.443 0.000 1.105 724 H CA -0.469 55.759 56.048 0.300 0.000 1.196 724 H CB 1.532 31.399 29.762 0.175 0.000 1.636 724 H HN 0.425 nan 8.280 nan 0.000 0.531 725 I N 4.021 124.411 120.570 -0.300 0.000 2.418 725 I HA 0.261 4.431 4.170 0.001 0.000 0.287 725 I C -0.431 175.546 176.117 -0.234 0.000 1.008 725 I CA -0.626 60.564 61.300 -0.184 0.000 1.104 725 I CB 1.873 39.814 38.000 -0.099 0.000 1.264 725 I HN 0.566 nan 8.210 nan 0.000 0.438 726 E N 5.367 125.612 120.200 0.075 0.000 2.145 726 E HA 0.752 5.102 4.350 0.001 0.000 0.270 726 E C -1.218 175.566 176.600 0.308 0.000 0.906 726 E CA -0.517 56.035 56.400 0.253 0.000 0.761 726 E CB 1.676 31.683 29.700 0.512 0.000 1.116 726 E HN 0.759 nan 8.360 nan 0.000 0.408 727 A N 4.533 127.511 122.820 0.264 0.000 2.430 727 A HA 0.690 5.010 4.320 0.001 0.000 0.300 727 A C -1.577 176.189 177.584 0.303 0.000 1.124 727 A CA -0.796 51.301 52.037 0.100 0.000 0.766 727 A CB 1.465 20.250 19.000 -0.358 0.000 1.328 727 A HN 0.620 nan 8.150 nan 0.000 0.424 728 L N 2.135 123.424 121.223 0.111 0.000 2.446 728 L HA 0.501 4.841 4.340 0.001 0.000 0.268 728 L C -1.838 175.025 176.870 -0.012 0.000 0.975 728 L CA -0.429 54.541 54.840 0.216 0.000 0.848 728 L CB 1.015 43.306 42.059 0.386 0.000 1.225 728 L HN 0.698 nan 8.230 nan 0.000 0.410 729 L N 4.900 126.183 121.223 0.100 0.000 2.294 729 L HA 0.439 4.779 4.340 0.001 0.000 0.283 729 L C -1.046 175.977 176.870 0.255 0.000 1.015 729 L CA -0.635 54.280 54.840 0.125 0.000 0.831 729 L CB 1.328 43.489 42.059 0.169 0.000 1.217 729 L HN 0.535 nan 8.230 nan 0.000 0.420 730 H N 2.557 121.657 119.070 0.050 0.000 2.782 730 H HA 0.808 5.365 4.556 0.001 0.000 0.347 730 H C -0.295 175.045 175.328 0.020 0.000 1.038 730 H CA 0.009 56.068 56.048 0.018 0.000 1.255 730 H CB 1.913 31.703 29.762 0.046 0.000 1.623 730 H HN 0.733 nan 8.280 nan 0.000 0.525 731 G N 3.249 112.006 108.800 -0.071 0.000 2.334 731 G HA2 -0.080 3.881 3.960 0.001 0.000 0.249 731 G HA3 -0.080 3.881 3.960 0.001 0.000 0.249 731 G C -1.086 173.811 174.900 -0.004 0.000 1.327 731 G CA -0.696 44.309 45.100 -0.158 0.000 0.979 731 G HN 0.693 nan 8.290 nan 0.000 0.471 732 N N 1.022 119.728 118.700 0.010 0.000 2.819 732 N HA 0.458 5.198 4.740 0.001 0.000 0.284 732 N C -0.206 175.363 175.510 0.098 0.000 1.196 732 N CA 0.022 53.109 53.050 0.063 0.000 1.114 732 N CB -0.370 38.147 38.487 0.051 0.000 1.437 732 N HN 0.709 nan 8.380 nan 0.000 0.518 733 I N 0.755 121.423 120.570 0.165 0.000 2.908 733 I HA 0.282 4.452 4.170 0.001 0.000 0.300 733 I C -0.712 175.585 176.117 0.299 0.000 1.385 733 I CA -0.544 60.873 61.300 0.195 0.000 1.004 733 I CB 2.055 40.178 38.000 0.205 0.000 1.309 733 I HN 0.361 nan 8.210 nan 0.000 0.449 734 T N 1.825 116.466 114.554 0.145 0.000 2.927 734 T HA 0.322 4.673 4.350 0.001 0.000 0.281 734 T C 0.948 175.437 174.700 -0.352 0.000 0.998 734 T CA -0.539 61.610 62.100 0.081 0.000 1.019 734 T CB 1.994 70.876 68.868 0.024 0.000 1.061 734 T HN 0.803 nan 8.240 nan 0.000 0.518 735 K N 0.087 120.180 120.400 -0.512 0.000 2.032 735 K HA -0.236 4.084 4.320 0.001 0.000 0.209 735 K C 2.239 178.515 176.600 -0.540 0.000 1.048 735 K CA 1.697 57.397 56.287 -0.980 0.000 0.927 735 K CB -0.230 32.057 32.500 -0.354 0.000 0.712 735 K HN 0.627 nan 8.250 nan 0.000 0.441 736 Q N 0.080 119.719 119.800 -0.269 0.000 2.167 736 Q HA -0.024 4.317 4.340 0.001 0.000 0.202 736 Q C 1.677 177.589 176.000 -0.147 0.000 0.970 736 Q CA 1.685 57.389 55.803 -0.165 0.000 0.855 736 Q CB -0.165 28.518 28.738 -0.092 0.000 0.911 736 Q HN 0.449 nan 8.270 nan 0.000 0.438 737 A N -0.164 122.566 122.820 -0.150 0.000 1.929 737 A HA 0.028 4.348 4.320 0.001 0.000 0.216 737 A C 2.221 179.743 177.584 -0.102 0.000 1.176 737 A CA 1.474 53.458 52.037 -0.088 0.000 0.628 737 A CB -0.972 18.002 19.000 -0.042 0.000 0.816 737 A HN 0.441 nan 8.150 nan 0.000 0.444 738 A N 0.074 122.760 122.820 -0.224 0.000 1.865 738 A HA -0.101 4.219 4.320 0.001 0.000 0.217 738 A C 2.144 179.661 177.584 -0.112 0.000 1.191 738 A CA 1.585 53.511 52.037 -0.186 0.000 0.623 738 A CB -0.739 17.986 19.000 -0.458 0.000 0.826 738 A HN 0.468 nan 8.150 nan 0.000 0.444 739 L N -0.618 120.508 121.223 -0.161 0.000 2.079 739 L HA -0.167 4.173 4.340 0.001 0.000 0.210 739 L C 2.774 179.622 176.870 -0.037 0.000 1.081 739 L CA 1.076 55.863 54.840 -0.088 0.000 0.752 739 L CB -0.712 41.285 42.059 -0.103 0.000 0.896 739 L HN 0.518 nan 8.230 nan 0.000 0.433 740 G N 0.024 108.801 108.800 -0.039 0.000 2.402 740 G HA2 -0.176 3.784 3.960 0.001 0.000 0.216 740 G HA3 -0.176 3.784 3.960 0.001 0.000 0.216 740 G C 1.588 176.501 174.900 0.022 0.000 1.162 740 G CA 0.512 45.606 45.100 -0.010 0.000 0.777 740 G HN 0.276 nan 8.290 nan 0.000 0.539 741 I N -0.061 120.534 120.570 0.042 0.000 2.202 741 I HA -0.152 4.018 4.170 0.001 0.000 0.242 741 I C 2.712 178.911 176.117 0.137 0.000 1.091 741 I CA 1.261 62.619 61.300 0.097 0.000 1.368 741 I CB -0.193 37.895 38.000 0.145 0.000 1.058 741 I HN 0.186 nan 8.210 nan 0.000 0.410 742 M N 0.738 120.422 119.600 0.141 0.000 2.080 742 M HA -0.270 4.211 4.480 0.001 0.000 0.260 742 M C 2.243 178.607 176.300 0.108 0.000 1.068 742 M CA 1.941 57.343 55.300 0.170 0.000 1.109 742 M CB -0.462 32.204 32.600 0.110 0.000 1.342 742 M HN 0.047 nan 8.290 nan 0.000 0.405 743 Q N -0.465 119.372 119.800 0.061 0.000 2.124 743 Q HA -0.180 4.160 4.340 0.001 0.000 0.202 743 Q C 2.072 178.096 176.000 0.040 0.000 0.977 743 Q CA 2.107 57.934 55.803 0.041 0.000 0.850 743 Q CB -0.516 28.234 28.738 0.019 0.000 0.901 743 Q HN 0.610 nan 8.270 nan 0.000 0.429 744 M N -0.750 118.873 119.600 0.040 0.000 2.175 744 M HA -0.120 4.360 4.480 0.001 0.000 0.264 744 M C 1.667 177.983 176.300 0.026 0.000 1.063 744 M CA 1.245 56.562 55.300 0.028 0.000 1.119 744 M CB -0.254 32.361 32.600 0.025 0.000 1.377 744 M HN 0.186 nan 8.290 nan 0.000 0.415 745 V N 0.849 120.785 119.914 0.035 0.000 2.307 745 V HA -0.262 3.858 4.120 0.001 0.000 0.245 745 V C 2.173 178.304 176.094 0.061 0.000 1.045 745 V CA 1.969 64.280 62.300 0.018 0.000 1.024 745 V CB -0.784 31.035 31.823 -0.006 0.000 0.651 745 V HN 0.490 nan 8.190 nan 0.000 0.449 746 E N -0.002 120.245 120.200 0.079 0.000 2.038 746 E HA -0.260 4.090 4.350 0.001 0.000 0.195 746 E C 2.015 178.644 176.600 0.047 0.000 1.000 746 E CA 1.666 58.114 56.400 0.079 0.000 0.803 746 E CB -0.227 29.517 29.700 0.073 0.000 0.750 746 E HN 0.586 nan 8.360 nan 0.000 0.448 747 D N -0.187 120.231 120.400 0.030 0.000 2.149 747 D HA -0.124 4.516 4.640 0.001 0.000 0.198 747 D C 1.961 178.256 176.300 -0.007 0.000 0.990 747 D CA 1.332 55.335 54.000 0.005 0.000 0.839 747 D CB -0.488 40.313 40.800 0.001 0.000 0.948 747 D HN 0.126 nan 8.370 nan 0.000 0.460 748 T N 0.844 115.411 114.554 0.022 0.000 2.777 748 T HA -0.036 4.314 4.350 0.001 0.000 0.266 748 T C 2.232 176.973 174.700 0.069 0.000 1.040 748 T CA 0.521 62.661 62.100 0.067 0.000 1.141 748 T CB -0.188 68.718 68.868 0.063 0.000 0.868 748 T HN 0.117 nan 8.240 nan 0.000 0.444 749 L N 0.185 121.429 121.223 0.036 0.000 2.027 749 L HA 0.024 4.365 4.340 0.001 0.000 0.206 749 L C 2.478 179.334 176.870 -0.024 0.000 1.074 749 L CA 1.135 55.987 54.840 0.021 0.000 0.745 749 L CB -0.527 41.563 42.059 0.053 0.000 0.898 749 L HN 0.227 nan 8.230 nan 0.000 0.433 750 I N -0.205 120.354 120.570 -0.018 0.000 2.208 750 I HA -0.315 3.856 4.170 0.001 0.000 0.245 750 I C 2.683 178.718 176.117 -0.136 0.000 1.097 750 I CA 1.486 62.764 61.300 -0.038 0.000 1.363 750 I CB -0.239 37.758 38.000 -0.004 0.000 1.051 750 I HN 0.377 nan 8.210 nan 0.000 0.413 751 E N 0.172 120.258 120.200 -0.190 0.000 2.072 751 E HA -0.222 4.129 4.350 0.001 0.000 0.191 751 E C 2.019 178.282 176.600 -0.562 0.000 0.985 751 E CA 1.195 57.381 56.400 -0.355 0.000 0.801 751 E CB 0.091 29.530 29.700 -0.436 0.000 0.750 751 E HN 0.582 nan 8.360 nan 0.000 0.452 752 H N -1.580 117.341 119.070 -0.249 0.000 2.553 752 H HA 0.243 4.800 4.556 0.001 0.000 0.276 752 H C 1.208 176.306 175.328 -0.383 0.000 0.979 752 H CA 0.963 56.844 56.048 -0.278 0.000 1.268 752 H CB 0.815 30.492 29.762 -0.143 0.000 1.450 752 H HN 0.227 nan 8.280 nan 0.000 0.527 753 A N 0.127 122.808 122.820 -0.231 0.000 2.431 753 A HA 0.078 4.398 4.320 0.001 0.000 0.239 753 A C -0.018 177.499 177.584 -0.112 0.000 1.230 753 A CA -0.221 51.725 52.037 -0.152 0.000 0.928 753 A CB -0.088 18.884 19.000 -0.048 0.000 1.006 753 A HN 0.455 nan 8.150 nan 0.000 0.520 754 H N 0.188 119.258 119.070 0.000 0.000 2.822 754 H HA -0.135 4.421 4.556 0.001 0.000 0.295 754 H C -0.172 175.160 175.328 0.006 0.000 1.151 754 H CA 1.079 57.123 56.048 -0.006 0.000 1.151 754 H CB -2.696 27.058 29.762 -0.014 0.000 1.343 754 H HN 0.411 nan 8.280 nan 0.000 0.382 755 T N 2.364 116.956 114.554 0.064 0.000 2.934 755 T HA 0.213 4.564 4.350 0.001 0.000 0.306 755 T C 1.095 175.846 174.700 0.085 0.000 1.042 755 T CA 0.253 62.397 62.100 0.074 0.000 1.145 755 T CB 1.385 70.297 68.868 0.074 0.000 0.982 755 T HN 0.181 nan 8.240 nan 0.000 0.544 756 K N 3.123 123.577 120.400 0.090 0.000 2.400 756 K HA 0.464 4.785 4.320 0.001 0.000 0.246 756 K C -2.778 173.886 176.600 0.107 0.000 0.995 756 K CA -2.346 53.993 56.287 0.087 0.000 0.840 756 K CB 1.589 34.131 32.500 0.071 0.000 1.293 756 K HN 0.226 nan 8.250 nan 0.000 0.445 757 P HA 0.079 nan 4.420 nan 0.000 0.270 757 P C -0.591 176.776 177.300 0.113 0.000 1.223 757 P CA -0.442 62.730 63.100 0.120 0.000 0.785 757 P CB 0.421 32.175 31.700 0.091 0.000 0.923 758 L N 2.235 123.535 121.223 0.129 0.000 2.375 758 L HA 0.374 4.714 4.340 0.001 0.000 0.268 758 L C -0.636 176.256 176.870 0.038 0.000 1.058 758 L CA -0.686 54.219 54.840 0.109 0.000 0.803 758 L CB 0.553 42.707 42.059 0.159 0.000 1.212 758 L HN 0.127 nan 8.230 nan 0.000 0.451 759 L N 5.030 126.269 121.223 0.027 0.000 2.371 759 L HA 0.353 4.693 4.340 0.001 0.000 0.272 759 L C -1.361 175.473 176.870 -0.061 0.000 1.124 759 L CA -1.268 53.565 54.840 -0.011 0.000 0.816 759 L CB 0.357 42.419 42.059 0.006 0.000 1.129 759 L HN 0.513 nan 8.230 nan 0.000 0.448 760 P HA -0.163 nan 4.420 nan 0.000 0.218 760 P C 1.190 178.421 177.300 -0.115 0.000 1.148 760 P CA 1.326 64.339 63.100 -0.145 0.000 0.822 760 P CB 0.176 31.798 31.700 -0.131 0.000 0.784 761 S N -0.870 114.787 115.700 -0.071 0.000 2.507 761 S HA -0.105 4.365 4.470 0.001 0.000 0.235 761 S C 1.983 176.555 174.600 -0.047 0.000 0.988 761 S CA 0.579 58.746 58.200 -0.054 0.000 0.944 761 S CB -0.925 62.257 63.200 -0.031 0.000 0.762 761 S HN 0.233 nan 8.310 nan 0.000 0.526 762 Q N 0.245 120.021 119.800 -0.041 0.000 2.398 762 Q HA 0.291 4.631 4.340 0.001 0.000 0.204 762 Q C 0.156 176.131 176.000 -0.042 0.000 0.932 762 Q CA 0.200 55.995 55.803 -0.014 0.000 0.916 762 Q CB -0.103 28.654 28.738 0.033 0.000 1.024 762 Q HN 0.556 nan 8.270 nan 0.000 0.504 763 L N 2.098 123.252 121.223 -0.114 0.000 2.376 763 L HA 0.113 4.454 4.340 0.001 0.000 0.250 763 L C -0.540 176.198 176.870 -0.221 0.000 1.335 763 L CA -0.362 54.355 54.840 -0.204 0.000 1.214 763 L CB -0.196 41.663 42.059 -0.333 0.000 1.395 763 L HN -0.094 nan 8.230 nan 0.000 0.424 764 V N 2.548 122.351 119.914 -0.186 0.000 2.509 764 V HA 0.422 4.543 4.120 0.001 0.000 0.284 764 V C 0.407 176.245 176.094 -0.426 0.000 1.047 764 V CA -0.679 61.492 62.300 -0.215 0.000 0.952 764 V CB 1.539 33.296 31.823 -0.110 0.000 0.988 764 V HN 0.521 nan 8.190 nan 0.000 0.469 765 R N 2.730 123.000 120.500 -0.383 0.000 2.778 765 R HA 0.495 4.836 4.340 0.001 0.000 0.277 765 R C -1.034 175.171 176.300 -0.159 0.000 0.977 765 R CA -0.728 55.087 56.100 -0.475 0.000 0.950 765 R CB 1.328 31.435 30.300 -0.322 0.000 1.165 765 R HN 0.614 nan 8.270 nan 0.000 0.474 766 Y N 1.018 121.469 120.300 0.252 0.000 2.304 766 Y HA 0.355 4.906 4.550 0.001 0.000 0.327 766 Y C 1.065 177.016 175.900 0.087 0.000 1.209 766 Y CA -0.480 57.714 58.100 0.157 0.000 1.299 766 Y CB 1.076 39.619 38.460 0.139 0.000 1.249 766 Y HN 0.169 nan 8.280 nan 0.000 0.519 767 R N 0.965 121.613 120.500 0.246 0.000 2.674 767 R HA 0.306 4.647 4.340 0.001 0.000 0.266 767 R C -0.915 175.465 176.300 0.133 0.000 1.016 767 R CA -1.040 55.154 56.100 0.157 0.000 1.062 767 R CB 1.238 31.618 30.300 0.133 0.000 1.142 767 R HN 0.627 nan 8.270 nan 0.000 0.517 768 E N 0.832 121.120 120.200 0.147 0.000 2.231 768 E HA 0.211 4.562 4.350 0.001 0.000 0.277 768 E C -0.732 176.002 176.600 0.223 0.000 0.999 768 E CA -0.709 55.780 56.400 0.149 0.000 0.827 768 E CB 1.266 31.035 29.700 0.114 0.000 1.101 768 E HN 0.203 nan 8.360 nan 0.000 0.393 769 V N 3.620 123.615 119.914 0.135 0.000 2.763 769 V HA -0.062 4.058 4.120 0.001 0.000 0.306 769 V C 0.290 176.470 176.094 0.144 0.000 1.059 769 V CA 0.447 62.774 62.300 0.045 0.000 1.138 769 V CB 1.072 32.857 31.823 -0.063 0.000 0.940 769 V HN 0.744 nan 8.190 nan 0.000 0.489 770 Q N 3.517 123.266 119.800 -0.084 0.000 2.372 770 Q HA 0.370 4.710 4.340 0.001 0.000 0.259 770 Q C -1.185 174.669 176.000 -0.243 0.000 0.993 770 Q CA -0.907 54.715 55.803 -0.301 0.000 0.854 770 Q CB 1.151 29.366 28.738 -0.871 0.000 1.231 770 Q HN 0.533 nan 8.270 nan 0.000 0.462 771 L N 6.436 127.583 121.223 -0.127 0.000 2.417 771 L HA 0.405 4.746 4.340 0.001 0.000 0.268 771 L C -1.955 174.873 176.870 -0.070 0.000 1.158 771 L CA -1.799 53.017 54.840 -0.040 0.000 0.819 771 L CB 0.215 42.364 42.059 0.150 0.000 1.112 771 L HN 0.622 nan 8.230 nan 0.000 0.458 772 P HA 0.119 nan 4.420 nan 0.000 0.282 772 P C -1.019 176.473 177.300 0.321 0.000 1.249 772 P CA -0.716 62.479 63.100 0.157 0.000 0.806 772 P CB 0.739 32.542 31.700 0.172 0.000 0.984 773 D N 2.540 123.106 120.400 0.276 0.000 2.533 773 D HA -0.025 4.615 4.640 0.001 0.000 0.236 773 D C 1.095 177.473 176.300 0.130 0.000 1.137 773 D CA 0.603 54.745 54.000 0.236 0.000 0.867 773 D CB -0.031 40.850 40.800 0.134 0.000 1.170 773 D HN 0.406 nan 8.370 nan 0.000 0.474 774 R N -0.181 120.354 120.500 0.058 0.000 3.989 774 R HA -0.152 4.188 4.340 0.001 0.000 0.377 774 R C 0.760 177.109 176.300 0.082 0.000 1.158 774 R CA 0.927 57.045 56.100 0.031 0.000 1.035 774 R CB -1.833 28.474 30.300 0.011 0.000 1.557 774 R HN 0.525 nan 8.270 nan 0.000 0.551 775 G N -0.179 108.718 108.800 0.162 0.000 2.476 775 G HA2 0.332 4.292 3.960 0.001 0.000 0.269 775 G HA3 0.332 4.292 3.960 0.001 0.000 0.269 775 G C -1.288 173.740 174.900 0.214 0.000 1.195 775 G CA -0.092 45.092 45.100 0.140 0.000 0.843 775 G HN 0.214 nan 8.290 nan 0.000 0.545 776 W N 2.938 124.077 121.300 -0.267 0.000 3.036 776 W HA 0.670 5.330 4.660 0.001 0.000 0.337 776 W C -2.211 174.101 176.519 -0.344 0.000 1.055 776 W CA -2.313 54.947 57.345 -0.142 0.000 1.248 776 W CB 0.912 30.323 29.460 -0.082 0.000 1.335 776 W HN 0.324 nan 8.180 nan 0.000 0.446 777 F N 4.971 124.941 119.950 0.034 0.000 2.522 777 F HA 0.751 5.279 4.527 0.001 0.000 0.324 777 F C -0.106 175.470 175.800 -0.373 0.000 1.077 777 F CA -1.370 56.513 58.000 -0.195 0.000 0.944 777 F CB 1.812 40.794 39.000 -0.031 0.000 1.175 777 F HN -0.119 nan 8.300 nan 0.000 0.468 778 V N 2.578 122.320 119.914 -0.287 0.000 2.531 778 V HA 0.311 4.431 4.120 0.001 0.000 0.301 778 V C -1.556 174.407 176.094 -0.219 0.000 1.034 778 V CA -0.952 61.130 62.300 -0.363 0.000 0.865 778 V CB 1.810 33.250 31.823 -0.637 0.000 0.995 778 V HN 0.619 nan 8.190 nan 0.000 0.424 779 Y N 4.204 124.322 120.300 -0.302 0.000 2.335 779 Y HA 0.642 5.192 4.550 0.001 0.000 0.338 779 Y C -0.167 175.598 175.900 -0.224 0.000 0.977 779 Y CA -0.377 57.563 58.100 -0.266 0.000 1.114 779 Y CB 1.650 39.951 38.460 -0.265 0.000 1.182 779 Y HN 0.687 nan 8.280 nan 0.000 0.463 780 Q N 4.891 124.219 119.800 -0.787 0.000 2.365 780 Q HA 0.511 4.851 4.340 0.001 0.000 0.269 780 Q C -1.507 174.063 176.000 -0.717 0.000 1.061 780 Q CA -0.762 54.720 55.803 -0.535 0.000 0.816 780 Q CB 1.698 30.267 28.738 -0.281 0.000 1.325 780 Q HN 0.730 nan 8.270 nan 0.000 0.446 781 Q N 1.544 121.107 119.800 -0.394 0.000 2.693 781 Q HA 0.504 4.844 4.340 0.001 0.000 0.306 781 Q C -1.639 174.355 176.000 -0.010 0.000 0.969 781 Q CA -0.634 55.006 55.803 -0.273 0.000 0.757 781 Q CB 2.435 30.959 28.738 -0.356 0.000 1.494 781 Q HN 0.730 nan 8.270 nan 0.000 0.459 782 R N 0.636 121.177 120.500 0.070 0.000 2.686 782 R HA 0.464 4.804 4.340 0.001 0.000 0.286 782 R C -1.108 175.315 176.300 0.205 0.000 0.969 782 R CA -0.396 55.775 56.100 0.120 0.000 0.898 782 R CB 1.355 31.697 30.300 0.069 0.000 1.183 782 R HN 0.654 nan 8.270 nan 0.000 0.456 783 N N 1.244 120.062 118.700 0.197 0.000 2.422 783 N HA 0.062 4.802 4.740 0.001 0.000 0.266 783 N C -0.193 175.395 175.510 0.130 0.000 1.007 783 N CA -0.295 52.877 53.050 0.203 0.000 0.941 783 N CB 1.186 39.722 38.487 0.082 0.000 1.115 783 N HN 0.591 nan 8.380 nan 0.000 0.492 784 E N 2.085 122.362 120.200 0.129 0.000 2.502 784 E HA -0.015 4.335 4.350 0.001 0.000 0.194 784 E C 0.714 177.332 176.600 0.030 0.000 1.062 784 E CA 0.165 56.609 56.400 0.073 0.000 0.867 784 E CB 0.548 30.291 29.700 0.072 0.000 0.888 784 E HN 0.410 nan 8.360 nan 0.000 0.510 785 V N 0.055 119.979 119.914 0.017 0.000 2.911 785 V HA -0.002 4.118 4.120 0.001 0.000 0.237 785 V C 0.676 176.647 176.094 -0.206 0.000 1.156 785 V CA 0.345 62.583 62.300 -0.105 0.000 1.180 785 V CB 0.129 31.855 31.823 -0.161 0.000 0.932 785 V HN 0.263 nan 8.190 nan 0.000 0.483 786 H N 1.357 120.396 119.070 -0.053 0.000 2.580 786 H HA 0.234 4.790 4.556 0.001 0.000 0.322 786 H C -0.301 175.009 175.328 -0.030 0.000 1.082 786 H CA -0.106 55.911 56.048 -0.051 0.000 1.383 786 H CB 0.837 30.552 29.762 -0.078 0.000 1.450 786 H HN 0.117 nan 8.280 nan 0.000 0.505 787 N N 3.126 121.860 118.700 0.057 0.000 3.052 787 N HA -0.005 4.735 4.740 0.001 0.000 0.302 787 N C -1.070 174.467 175.510 0.045 0.000 1.332 787 N CA -0.121 52.950 53.050 0.037 0.000 1.129 787 N CB -0.320 38.170 38.487 0.005 0.000 1.436 787 N HN 0.495 nan 8.380 nan 0.000 0.536 788 N N -0.964 117.776 118.700 0.067 0.000 2.396 788 N HA 0.430 5.170 4.740 0.001 0.000 0.275 788 N C -1.381 174.163 175.510 0.056 0.000 1.218 788 N CA -0.453 52.628 53.050 0.052 0.000 0.812 788 N CB 1.208 39.723 38.487 0.047 0.000 1.592 788 N HN 0.037 nan 8.380 nan 0.000 0.480 789 C N 0.085 119.417 119.300 0.053 0.000 2.362 789 C HA 0.958 5.418 4.460 0.001 0.000 0.363 789 C C 0.968 176.004 174.990 0.076 0.000 1.220 789 C CA -0.394 58.663 59.018 0.066 0.000 2.379 789 C CB 0.642 28.416 27.740 0.056 0.000 2.351 789 C HN 0.715 nan 8.230 nan 0.000 0.582 790 G N 0.373 109.237 108.800 0.106 0.000 2.612 790 G HA2 0.776 4.737 3.960 0.001 0.000 0.298 790 G HA3 0.776 4.737 3.960 0.001 0.000 0.298 790 G C -1.693 173.309 174.900 0.169 0.000 1.336 790 G CA -0.245 44.940 45.100 0.142 0.000 0.953 790 G HN 0.832 nan 8.290 nan 0.000 0.482 791 I N -0.229 120.456 120.570 0.192 0.000 2.787 791 I HA 0.562 4.733 4.170 0.001 0.000 0.294 791 I C -1.795 174.480 176.117 0.263 0.000 1.365 791 I CA -0.729 60.703 61.300 0.221 0.000 1.029 791 I CB 2.508 40.583 38.000 0.124 0.000 1.313 791 I HN 0.623 nan 8.210 nan 0.000 0.431 792 E N 7.323 127.706 120.200 0.305 0.000 2.256 792 E HA 0.571 4.922 4.350 0.001 0.000 0.268 792 E C -1.810 174.988 176.600 0.331 0.000 0.877 792 E CA -0.637 55.952 56.400 0.315 0.000 0.757 792 E CB 1.981 31.850 29.700 0.282 0.000 1.183 792 E HN 0.537 nan 8.360 nan 0.000 0.418 793 I N 4.419 125.203 120.570 0.356 0.000 2.406 793 I HA 0.274 4.445 4.170 0.001 0.000 0.290 793 I C -1.239 175.069 176.117 0.319 0.000 0.999 793 I CA -1.043 60.421 61.300 0.274 0.000 1.124 793 I CB 1.181 39.306 38.000 0.210 0.000 1.289 793 I HN 0.538 nan 8.210 nan 0.000 0.441 794 Y N 7.495 127.811 120.300 0.026 0.000 2.328 794 Y HA 0.431 4.981 4.550 0.001 0.000 0.333 794 Y C -1.482 174.393 175.900 -0.041 0.000 0.958 794 Y CA -1.451 56.698 58.100 0.082 0.000 1.167 794 Y CB 0.833 39.378 38.460 0.141 0.000 1.151 794 Y HN 0.345 nan 8.280 nan 0.000 0.470 795 Y N 5.165 125.464 120.300 -0.002 0.000 2.717 795 Y HA 0.270 4.820 4.550 0.001 0.000 0.329 795 Y C 0.483 176.166 175.900 -0.363 0.000 1.017 795 Y CA -0.577 57.437 58.100 -0.144 0.000 1.275 795 Y CB 0.654 39.099 38.460 -0.025 0.000 1.109 795 Y HN 0.544 nan 8.280 nan 0.000 0.511 796 Q N 1.899 121.397 119.800 -0.504 0.000 2.300 796 Q HA 0.034 4.374 4.340 0.001 0.000 0.280 796 Q C 0.763 176.833 176.000 0.117 0.000 1.033 796 Q CA 0.578 56.159 55.803 -0.369 0.000 0.903 796 Q CB 1.009 29.616 28.738 -0.220 0.000 1.195 796 Q HN 0.866 nan 8.270 nan 0.000 0.386 797 T N 1.015 115.660 114.554 0.151 0.000 3.523 797 T HA 0.228 4.579 4.350 0.001 0.000 0.216 797 T C 0.048 174.917 174.700 0.282 0.000 0.922 797 T CA 0.544 62.786 62.100 0.238 0.000 1.558 797 T CB 0.178 69.222 68.868 0.294 0.000 1.424 797 T HN 0.654 nan 8.240 nan 0.000 0.452 798 D N -1.147 119.356 120.400 0.172 0.000 2.851 798 D HA 0.345 4.985 4.640 0.001 0.000 0.339 798 D C -1.245 175.005 176.300 -0.083 0.000 1.347 798 D CA -0.803 53.266 54.000 0.115 0.000 0.888 798 D CB 1.399 42.322 40.800 0.206 0.000 1.431 798 D HN 0.496 nan 8.370 nan 0.000 0.509 799 M N 1.007 120.542 119.600 -0.109 0.000 2.252 799 M HA 0.148 4.628 4.480 0.001 0.000 0.333 799 M C -0.244 176.006 176.300 -0.084 0.000 1.111 799 M CA 0.336 55.539 55.300 -0.162 0.000 1.140 799 M CB 0.416 32.983 32.600 -0.056 0.000 1.538 799 M HN 0.189 nan 8.290 nan 0.000 0.448 800 Q N 2.675 122.416 119.800 -0.099 0.000 2.337 800 Q HA 0.307 4.648 4.340 0.001 0.000 0.270 800 Q C -0.720 175.225 176.000 -0.092 0.000 1.002 800 Q CA 0.239 55.991 55.803 -0.084 0.000 0.888 800 Q CB 0.618 29.304 28.738 -0.087 0.000 1.222 800 Q HN 0.782 nan 8.270 nan 0.000 0.400 801 S N 0.004 115.634 115.700 -0.117 0.000 2.587 801 S HA 0.240 4.710 4.470 0.001 0.000 0.269 801 S C 0.462 174.921 174.600 -0.235 0.000 1.154 801 S CA -0.656 57.451 58.200 -0.155 0.000 0.824 801 S CB 1.205 64.320 63.200 -0.143 0.000 1.118 801 S HN 0.500 nan 8.310 nan 0.000 0.462 802 T N 2.464 116.842 114.554 -0.294 0.000 2.597 802 T HA -0.188 4.162 4.350 0.001 0.000 0.267 802 T C 2.229 176.522 174.700 -0.679 0.000 1.053 802 T CA 2.782 64.625 62.100 -0.428 0.000 1.165 802 T CB -1.015 67.565 68.868 -0.480 0.000 0.863 802 T HN 1.021 nan 8.240 nan 0.000 0.427 803 S N 1.575 116.753 115.700 -0.871 0.000 2.356 803 S HA -0.128 4.342 4.470 0.001 0.000 0.223 803 S C 1.968 176.025 174.600 -0.905 0.000 1.032 803 S CA 0.935 58.492 58.200 -1.072 0.000 1.005 803 S CB -0.429 62.308 63.200 -0.772 0.000 0.867 803 S HN 0.328 nan 8.310 nan 0.000 0.449 804 E N 1.991 121.918 120.200 -0.456 0.000 2.110 804 E HA -0.069 4.281 4.350 0.001 0.000 0.193 804 E C 1.998 178.492 176.600 -0.175 0.000 0.988 804 E CA 0.968 57.251 56.400 -0.194 0.000 0.804 804 E CB -0.750 28.928 29.700 -0.036 0.000 0.745 804 E HN 0.729 nan 8.360 nan 0.000 0.458 805 N N -0.003 118.584 118.700 -0.188 0.000 2.043 805 N HA -0.140 4.601 4.740 0.001 0.000 0.193 805 N C 1.682 177.141 175.510 -0.085 0.000 1.037 805 N CA 1.206 54.190 53.050 -0.110 0.000 0.851 805 N CB -0.070 38.348 38.487 -0.115 0.000 1.027 805 N HN 0.084 nan 8.380 nan 0.000 0.422 806 M N 0.029 119.554 119.600 -0.125 0.000 2.394 806 M HA -0.001 4.480 4.480 0.001 0.000 0.264 806 M C 1.545 177.874 176.300 0.048 0.000 1.073 806 M CA 1.019 56.310 55.300 -0.014 0.000 1.111 806 M CB -1.181 31.475 32.600 0.094 0.000 1.401 806 M HN 0.203 nan 8.290 nan 0.000 0.448 807 F N -0.087 119.762 119.950 -0.169 0.000 2.113 807 F HA -0.247 4.281 4.527 0.001 0.000 0.297 807 F C 2.284 177.809 175.800 -0.458 0.000 1.103 807 F CA 0.415 58.142 58.000 -0.454 0.000 1.248 807 F CB -0.247 38.162 39.000 -0.984 0.000 0.999 807 F HN 0.104 nan 8.300 nan 0.000 0.475 808 L N 0.720 121.854 121.223 -0.148 0.000 2.027 808 L HA -0.181 4.160 4.340 0.001 0.000 0.206 808 L C 2.029 179.015 176.870 0.192 0.000 1.074 808 L CA 1.882 56.790 54.840 0.112 0.000 0.745 808 L CB -0.769 41.381 42.059 0.151 0.000 0.898 808 L HN 0.059 nan 8.230 nan 0.000 0.433 809 E N -0.556 119.708 120.200 0.106 0.000 2.110 809 E HA -0.224 4.127 4.350 0.001 0.000 0.193 809 E C 2.304 178.955 176.600 0.085 0.000 0.988 809 E CA 1.244 57.697 56.400 0.087 0.000 0.804 809 E CB -0.226 29.501 29.700 0.045 0.000 0.745 809 E HN 0.516 nan 8.360 nan 0.000 0.458 810 L N 0.169 121.453 121.223 0.102 0.000 2.056 810 L HA -0.154 4.186 4.340 0.001 0.000 0.207 810 L C 2.307 179.232 176.870 0.093 0.000 1.078 810 L CA 1.047 55.928 54.840 0.068 0.000 0.749 810 L CB -0.179 41.938 42.059 0.097 0.000 0.901 810 L HN 0.164 nan 8.230 nan 0.000 0.433 811 F N 0.030 120.025 119.950 0.074 0.000 2.134 811 F HA -0.296 4.232 4.527 0.001 0.000 0.299 811 F C 2.559 178.380 175.800 0.035 0.000 1.097 811 F CA 1.902 59.964 58.000 0.104 0.000 1.264 811 F CB -0.418 38.747 39.000 0.275 0.000 1.001 811 F HN 0.128 nan 8.300 nan 0.000 0.479 812 C N 0.155 119.563 119.300 0.180 0.000 2.425 812 C HA -0.193 4.267 4.460 0.001 0.000 0.277 812 C C 2.715 177.641 174.990 -0.107 0.000 1.280 812 C CA 1.335 60.366 59.018 0.021 0.000 1.744 812 C CB -1.213 26.562 27.740 0.057 0.000 1.989 812 C HN 0.636 nan 8.230 nan 0.000 0.491 813 Q N 1.331 121.076 119.800 -0.092 0.000 2.096 813 Q HA -0.124 4.216 4.340 0.001 0.000 0.204 813 Q C 1.775 177.621 176.000 -0.256 0.000 0.982 813 Q CA 1.964 57.695 55.803 -0.120 0.000 0.850 813 Q CB -0.549 28.142 28.738 -0.080 0.000 0.901 813 Q HN 0.678 nan 8.270 nan 0.000 0.422 814 I N 0.533 120.848 120.570 -0.425 0.000 2.252 814 I HA -0.201 3.969 4.170 0.001 0.000 0.245 814 I C 2.192 178.041 176.117 -0.447 0.000 1.102 814 I CA 1.421 62.302 61.300 -0.697 0.000 1.385 814 I CB -0.388 37.252 38.000 -0.601 0.000 1.064 814 I HN 0.423 nan 8.210 nan 0.000 0.414 815 I N -3.326 117.017 120.570 -0.378 0.000 3.603 815 I HA 0.015 4.185 4.170 0.001 0.000 0.297 815 I C 2.389 178.508 176.117 0.003 0.000 1.269 815 I CA 0.367 61.573 61.300 -0.157 0.000 1.361 815 I CB -0.018 37.882 38.000 -0.167 0.000 1.063 815 I HN -0.020 nan 8.210 nan 0.000 0.448 816 S N 2.321 117.968 115.700 -0.088 0.000 2.404 816 S HA -0.347 4.123 4.470 0.001 0.000 0.230 816 S C 2.025 176.621 174.600 -0.006 0.000 1.046 816 S CA 2.695 60.850 58.200 -0.075 0.000 1.135 816 S CB -0.386 62.759 63.200 -0.092 0.000 1.056 816 S HN 0.810 nan 8.310 nan 0.000 0.426 817 E N 1.589 121.797 120.200 0.013 0.000 2.038 817 E HA -0.062 4.288 4.350 0.001 0.000 0.195 817 E C -0.623 176.052 176.600 0.124 0.000 1.000 817 E CA 2.074 58.510 56.400 0.060 0.000 0.803 817 E CB -1.533 28.200 29.700 0.053 0.000 0.750 817 E HN 0.418 nan 8.360 nan 0.000 0.448 818 P HA -0.122 nan 4.420 nan 0.000 0.218 818 P C 1.518 178.922 177.300 0.173 0.000 1.148 818 P CA 1.425 64.654 63.100 0.215 0.000 0.822 818 P CB -0.204 31.653 31.700 0.263 0.000 0.784 819 C N -1.711 117.614 119.300 0.042 0.000 2.432 819 C HA -0.137 4.323 4.460 0.001 0.000 0.277 819 C C 2.440 177.285 174.990 -0.241 0.000 1.249 819 C CA 0.465 59.202 59.018 -0.468 0.000 1.725 819 C CB -2.036 25.555 27.740 -0.248 0.000 2.028 819 C HN 0.148 nan 8.230 nan 0.000 0.477 820 F N 1.940 121.792 119.950 -0.164 0.000 2.146 820 F HA -0.053 4.474 4.527 0.001 0.000 0.298 820 F C 2.370 178.122 175.800 -0.080 0.000 1.096 820 F CA 2.159 60.092 58.000 -0.112 0.000 1.275 820 F CB -0.779 38.174 39.000 -0.077 0.000 1.008 820 F HN 0.354 nan 8.300 nan 0.000 0.480 821 N N -0.791 117.995 118.700 0.145 0.000 2.244 821 N HA -0.151 4.589 4.740 0.001 0.000 0.183 821 N C 1.454 176.948 175.510 -0.027 0.000 1.016 821 N CA 1.772 54.872 53.050 0.084 0.000 0.866 821 N CB -0.006 38.572 38.487 0.153 0.000 0.980 821 N HN 0.318 nan 8.380 nan 0.000 0.430 822 T N 1.345 115.865 114.554 -0.055 0.000 2.781 822 T HA 0.039 4.390 4.350 0.001 0.000 0.252 822 T C 1.826 176.446 174.700 -0.133 0.000 1.039 822 T CA 0.296 62.363 62.100 -0.054 0.000 1.147 822 T CB -0.029 68.851 68.868 0.021 0.000 0.865 822 T HN 0.046 nan 8.240 nan 0.000 0.423 823 L N 0.927 122.005 121.223 -0.242 0.000 2.217 823 L HA 0.183 4.524 4.340 0.001 0.000 0.211 823 L C 2.290 179.030 176.870 -0.216 0.000 1.107 823 L CA 1.499 56.210 54.840 -0.216 0.000 0.783 823 L CB -1.023 40.889 42.059 -0.245 0.000 0.919 823 L HN 0.211 nan 8.230 nan 0.000 0.442 824 R N -1.087 119.207 120.500 -0.343 0.000 2.040 824 R HA -0.010 4.331 4.340 0.001 0.000 0.209 824 R C 2.176 178.300 176.300 -0.293 0.000 1.281 824 R CA 1.086 56.946 56.100 -0.400 0.000 1.064 824 R CB -0.291 29.529 30.300 -0.800 0.000 0.950 824 R HN 0.098 nan 8.270 nan 0.000 0.462 825 T N 1.667 116.017 114.554 -0.339 0.000 2.635 825 T HA -0.155 4.195 4.350 0.001 0.000 0.267 825 T C 1.650 176.317 174.700 -0.055 0.000 1.040 825 T CA 1.871 63.893 62.100 -0.131 0.000 1.156 825 T CB -0.129 68.716 68.868 -0.037 0.000 0.863 825 T HN 0.280 nan 8.240 nan 0.000 0.430 826 K N 0.657 121.026 120.400 -0.051 0.000 1.995 826 K HA 0.029 4.349 4.320 0.001 0.000 0.207 826 K C 2.461 179.052 176.600 -0.014 0.000 1.041 826 K CA 1.096 57.374 56.287 -0.015 0.000 0.942 826 K CB -0.054 32.447 32.500 0.002 0.000 0.731 826 K HN 0.365 nan 8.250 nan 0.000 0.439 827 E N 0.872 121.054 120.200 -0.030 0.000 2.435 827 E HA -0.049 4.302 4.350 0.001 0.000 0.195 827 E C -0.377 176.217 176.600 -0.009 0.000 1.029 827 E CA 0.008 56.403 56.400 -0.008 0.000 0.865 827 E CB 0.330 30.025 29.700 -0.009 0.000 0.833 827 E HN 0.148 nan 8.360 nan 0.000 0.510 828 Q N -0.129 119.645 119.800 -0.044 0.000 2.423 828 Q HA -0.228 4.113 4.340 0.001 0.000 0.332 828 Q C 0.850 176.841 176.000 -0.014 0.000 1.355 828 Q CA 0.540 56.322 55.803 -0.037 0.000 0.947 828 Q CB -1.884 26.850 28.738 -0.007 0.000 1.189 828 Q HN 0.461 nan 8.270 nan 0.000 0.418 829 L N -1.711 119.497 121.223 -0.026 0.000 2.156 829 L HA 0.027 4.367 4.340 0.001 0.000 0.208 829 L C 1.328 178.202 176.870 0.007 0.000 1.095 829 L CA 1.310 56.155 54.840 0.008 0.000 0.770 829 L CB 0.073 42.129 42.059 -0.005 0.000 0.914 829 L HN 0.494 nan 8.230 nan 0.000 0.439 830 G N -3.375 105.417 108.800 -0.013 0.000 2.368 830 G HA2 0.090 4.050 3.960 0.001 0.000 0.293 830 G HA3 0.090 4.050 3.960 0.001 0.000 0.293 830 G C -0.881 174.039 174.900 0.033 0.000 1.467 830 G CA -0.461 44.654 45.100 0.024 0.000 0.804 830 G HN -0.167 nan 8.290 nan 0.000 0.535 831 Y N 0.500 120.783 120.300 -0.028 0.000 2.242 831 Y HA 0.303 4.853 4.550 0.001 0.000 0.291 831 Y C 1.244 177.149 175.900 0.008 0.000 1.137 831 Y CA 1.082 59.184 58.100 0.004 0.000 1.181 831 Y CB 0.085 38.562 38.460 0.027 0.000 0.989 831 Y HN 0.291 nan 8.280 nan 0.000 0.527 832 I N 1.992 122.557 120.570 -0.010 0.000 2.297 832 I HA 0.272 4.442 4.170 0.001 0.000 0.291 832 I C -1.158 174.929 176.117 -0.051 0.000 1.033 832 I CA -0.500 60.737 61.300 -0.105 0.000 1.253 832 I CB 0.953 38.841 38.000 -0.187 0.000 1.396 832 I HN -0.255 nan 8.210 nan 0.000 0.476 833 V N 7.712 127.624 119.914 -0.004 0.000 2.612 833 V HA 0.444 4.564 4.120 0.001 0.000 0.301 833 V C -0.998 175.221 176.094 0.208 0.000 1.059 833 V CA -0.675 61.657 62.300 0.055 0.000 0.886 833 V CB 2.120 33.891 31.823 -0.087 0.000 1.007 833 V HN 0.509 nan 8.190 nan 0.000 0.426 834 F N 4.100 124.090 119.950 0.066 0.000 2.601 834 F HA 0.856 5.383 4.527 0.001 0.000 0.309 834 F C -0.270 175.558 175.800 0.047 0.000 1.089 834 F CA -0.049 57.990 58.000 0.065 0.000 0.940 834 F CB 2.382 41.413 39.000 0.053 0.000 1.273 834 F HN 0.538 nan 8.300 nan 0.000 0.450 835 S N 3.191 118.260 115.700 -1.051 0.000 2.564 835 S HA 1.023 5.493 4.470 0.001 0.000 0.274 835 S C -0.724 173.183 174.600 -1.154 0.000 1.124 835 S CA -0.178 57.460 58.200 -0.937 0.000 0.869 835 S CB 1.669 64.441 63.200 -0.713 0.000 1.105 835 S HN 1.852 nan 8.310 nan 0.000 0.472 836 G N 0.633 109.063 108.800 -0.616 0.000 2.337 836 G HA2 0.468 4.428 3.960 0.001 0.000 0.298 836 G HA3 0.468 4.428 3.960 0.001 0.000 0.298 836 G C -3.665 171.235 174.900 -0.001 0.000 1.335 836 G CA -0.600 44.327 45.100 -0.288 0.000 0.875 836 G HN 0.699 nan 8.290 nan 0.000 0.579 837 P HA 0.424 nan 4.420 nan 0.000 0.277 837 P C -0.920 176.486 177.300 0.177 0.000 1.240 837 P CA -0.333 62.858 63.100 0.152 0.000 0.798 837 P CB 1.688 33.463 31.700 0.125 0.000 0.979 838 R N 1.982 122.599 120.500 0.194 0.000 2.476 838 R HA 0.491 4.832 4.340 0.001 0.000 0.305 838 R C -0.921 175.439 176.300 0.100 0.000 0.965 838 R CA -0.773 55.403 56.100 0.126 0.000 0.867 838 R CB 1.089 31.426 30.300 0.061 0.000 1.176 838 R HN 0.348 nan 8.270 nan 0.000 0.447 839 R N 2.089 122.613 120.500 0.039 0.000 2.480 839 R HA 0.688 5.029 4.340 0.001 0.000 0.306 839 R C -1.557 174.730 176.300 -0.021 0.000 0.958 839 R CA -0.423 55.685 56.100 0.014 0.000 0.861 839 R CB 2.284 32.584 30.300 0.001 0.000 1.171 839 R HN 0.720 nan 8.270 nan 0.000 0.445 840 A N 2.558 125.361 122.820 -0.028 0.000 2.532 840 A HA 0.403 4.723 4.320 0.001 0.000 0.296 840 A C -0.936 176.631 177.584 -0.029 0.000 1.058 840 A CA -0.884 51.131 52.037 -0.036 0.000 0.729 840 A CB 0.866 19.834 19.000 -0.052 0.000 1.285 840 A HN 0.786 nan 8.150 nan 0.000 0.396 841 N N 1.023 119.716 118.700 -0.012 0.000 2.721 841 N HA -0.251 4.490 4.740 0.001 0.000 0.249 841 N C 1.100 176.588 175.510 -0.037 0.000 1.072 841 N CA 2.570 55.624 53.050 0.008 0.000 0.710 841 N CB -1.152 37.364 38.487 0.050 0.000 0.993 841 N HN 2.408 nan 8.380 nan 0.000 0.547 842 G N -1.889 106.871 108.800 -0.067 0.000 2.205 842 G HA2 -0.316 3.645 3.960 0.001 0.000 0.261 842 G HA3 -0.316 3.645 3.960 0.001 0.000 0.261 842 G C 0.167 174.982 174.900 -0.142 0.000 0.980 842 G CA 0.622 45.665 45.100 -0.095 0.000 0.632 842 G HN 0.419 nan 8.290 nan 0.000 0.533 843 I N 0.597 121.067 120.570 -0.167 0.000 3.062 843 I HA 0.721 4.892 4.170 0.001 0.000 0.316 843 I C 0.557 176.626 176.117 -0.081 0.000 1.041 843 I CA -0.678 60.468 61.300 -0.257 0.000 1.069 843 I CB 1.181 38.919 38.000 -0.437 0.000 1.300 843 I HN 0.648 nan 8.210 nan 0.000 0.518 844 Q N 0.615 120.406 119.800 -0.016 0.000 2.685 844 Q HA 0.764 5.105 4.340 0.001 0.000 0.301 844 Q C -1.092 175.050 176.000 0.237 0.000 0.924 844 Q CA -0.988 54.889 55.803 0.124 0.000 0.755 844 Q CB 2.506 31.289 28.738 0.076 0.000 1.470 844 Q HN 0.883 nan 8.270 nan 0.000 0.434 845 G N -0.070 108.926 108.800 0.328 0.000 2.321 845 G HA2 0.342 4.302 3.960 0.001 0.000 0.296 845 G HA3 0.342 4.302 3.960 0.001 0.000 0.296 845 G C -2.175 172.956 174.900 0.385 0.000 1.287 845 G CA -0.898 44.404 45.100 0.337 0.000 0.846 845 G HN 0.551 nan 8.290 nan 0.000 0.508 846 L N 0.807 122.250 121.223 0.366 0.000 2.307 846 L HA 0.825 5.166 4.340 0.001 0.000 0.282 846 L C 0.295 177.457 176.870 0.486 0.000 1.051 846 L CA -0.927 54.127 54.840 0.356 0.000 0.804 846 L CB 1.233 43.483 42.059 0.319 0.000 1.197 846 L HN 0.850 nan 8.230 nan 0.000 0.431 847 R N 2.866 123.550 120.500 0.307 0.000 2.744 847 R HA 0.668 5.008 4.340 0.001 0.000 0.279 847 R C -2.001 174.384 176.300 0.141 0.000 0.977 847 R CA -0.720 55.605 56.100 0.375 0.000 0.906 847 R CB 1.713 32.229 30.300 0.361 0.000 1.197 847 R HN 0.281 nan 8.270 nan 0.000 0.463 848 F N 1.710 121.868 119.950 0.346 0.000 2.540 848 F HA 0.595 5.123 4.527 0.001 0.000 0.317 848 F C -0.316 175.665 175.800 0.302 0.000 1.104 848 F CA -0.842 57.331 58.000 0.288 0.000 0.913 848 F CB 2.283 41.434 39.000 0.252 0.000 1.170 848 F HN 0.285 nan 8.300 nan 0.000 0.450 849 I N 4.628 125.494 120.570 0.493 0.000 2.533 849 I HA 0.553 4.724 4.170 0.001 0.000 0.290 849 I C -1.029 175.252 176.117 0.274 0.000 1.056 849 I CA -0.521 61.002 61.300 0.370 0.000 1.057 849 I CB 2.181 40.386 38.000 0.341 0.000 1.240 849 I HN 0.422 nan 8.210 nan 0.000 0.423 850 I N 5.033 125.724 120.570 0.201 0.000 2.722 850 I HA 0.365 4.535 4.170 0.001 0.000 0.295 850 I C -0.936 175.237 176.117 0.093 0.000 1.161 850 I CA -0.560 60.810 61.300 0.116 0.000 1.032 850 I CB 2.528 40.582 38.000 0.090 0.000 1.244 850 I HN 0.533 nan 8.210 nan 0.000 0.421 851 Q N 3.949 123.774 119.800 0.042 0.000 2.330 851 Q HA 0.719 5.060 4.340 0.001 0.000 0.269 851 Q C -1.278 174.746 176.000 0.040 0.000 1.022 851 Q CA -0.257 55.575 55.803 0.049 0.000 0.796 851 Q CB 2.143 30.891 28.738 0.018 0.000 1.271 851 Q HN 0.730 nan 8.270 nan 0.000 0.450 852 S N 1.891 117.618 115.700 0.045 0.000 2.615 852 S HA 0.151 4.621 4.470 0.001 0.000 0.269 852 S C -0.143 174.477 174.600 0.033 0.000 1.161 852 S CA -0.450 57.773 58.200 0.038 0.000 0.817 852 S CB 1.595 64.819 63.200 0.040 0.000 1.131 852 S HN 0.863 nan 8.310 nan 0.000 0.467 853 E N 0.866 121.080 120.200 0.024 0.000 2.371 853 E HA 0.093 4.444 4.350 0.001 0.000 0.194 853 E C -0.163 176.441 176.600 0.005 0.000 1.012 853 E CA 0.300 56.708 56.400 0.014 0.000 0.860 853 E CB 0.052 29.754 29.700 0.004 0.000 0.811 853 E HN 0.380 nan 8.360 nan 0.000 0.502 854 K N 2.915 123.322 120.400 0.011 0.000 2.326 854 K HA 0.161 4.481 4.320 0.001 0.000 0.275 854 K C -2.252 174.353 176.600 0.007 0.000 1.018 854 K CA -1.680 54.607 56.287 0.000 0.000 0.962 854 K CB 0.654 33.207 32.500 0.089 0.000 0.953 854 K HN 0.149 nan 8.250 nan 0.000 0.475 855 P HA 0.057 nan 4.420 nan 0.000 0.269 855 P C -2.243 175.008 177.300 -0.081 0.000 1.209 855 P CA -1.293 61.788 63.100 -0.032 0.000 0.776 855 P CB 0.241 31.925 31.700 -0.026 0.000 0.876 856 P HA -0.226 nan 4.420 nan 0.000 0.216 856 P C 1.649 178.815 177.300 -0.224 0.000 1.157 856 P CA 1.816 64.775 63.100 -0.235 0.000 0.880 856 P CB -0.604 30.820 31.700 -0.461 0.000 0.791 857 H N -2.316 116.712 119.070 -0.070 0.000 2.421 857 H HA -0.169 4.388 4.556 0.001 0.000 0.298 857 H C 2.028 177.414 175.328 0.098 0.000 1.087 857 H CA 1.239 57.331 56.048 0.073 0.000 1.330 857 H CB -1.478 28.372 29.762 0.146 0.000 1.388 857 H HN 0.199 nan 8.280 nan 0.000 0.526 858 Y N 1.530 121.520 120.300 -0.518 0.000 2.184 858 Y HA -0.074 4.476 4.550 0.001 0.000 0.290 858 Y C 2.359 178.175 175.900 -0.140 0.000 1.129 858 Y CA 0.681 58.603 58.100 -0.297 0.000 1.144 858 Y CB -0.428 37.833 38.460 -0.333 0.000 0.995 858 Y HN 0.064 nan 8.280 nan 0.000 0.513 859 L N 0.851 121.985 121.223 -0.148 0.000 2.043 859 L HA -0.233 4.107 4.340 0.001 0.000 0.212 859 L C 2.467 179.236 176.870 -0.169 0.000 1.075 859 L CA 2.203 56.948 54.840 -0.158 0.000 0.752 859 L CB -1.314 40.706 42.059 -0.065 0.000 0.891 859 L HN 0.322 nan 8.230 nan 0.000 0.432 860 E N -0.698 119.444 120.200 -0.097 0.000 2.085 860 E HA -0.214 4.136 4.350 0.001 0.000 0.194 860 E C 2.335 178.885 176.600 -0.084 0.000 0.994 860 E CA 1.563 57.949 56.400 -0.023 0.000 0.801 860 E CB -0.063 29.723 29.700 0.144 0.000 0.743 860 E HN 0.584 nan 8.360 nan 0.000 0.453 861 S N 0.044 115.671 115.700 -0.122 0.000 2.382 861 S HA -0.157 4.313 4.470 0.001 0.000 0.228 861 S C 1.975 176.453 174.600 -0.204 0.000 1.027 861 S CA 0.673 58.787 58.200 -0.144 0.000 0.991 861 S CB -0.310 62.802 63.200 -0.147 0.000 0.823 861 S HN 0.151 nan 8.310 nan 0.000 0.469 862 R N 1.044 121.350 120.500 -0.324 0.000 2.081 862 R HA 0.079 4.420 4.340 0.001 0.000 0.235 862 R C 2.448 178.666 176.300 -0.138 0.000 1.131 862 R CA 1.249 57.190 56.100 -0.265 0.000 0.960 862 R CB -1.574 28.520 30.300 -0.343 0.000 0.856 862 R HN 0.466 nan 8.270 nan 0.000 0.436 863 V N 1.195 121.007 119.914 -0.170 0.000 2.407 863 V HA -0.203 3.918 4.120 0.001 0.000 0.248 863 V C 2.279 178.300 176.094 -0.122 0.000 1.055 863 V CA 1.786 63.956 62.300 -0.217 0.000 1.049 863 V CB -0.409 31.182 31.823 -0.387 0.000 0.662 863 V HN 0.202 nan 8.190 nan 0.000 0.455 864 E N 0.312 120.448 120.200 -0.106 0.000 2.106 864 E HA -0.114 4.237 4.350 0.001 0.000 0.192 864 E C 2.203 178.775 176.600 -0.048 0.000 0.984 864 E CA 1.382 57.735 56.400 -0.079 0.000 0.806 864 E CB -0.469 29.176 29.700 -0.092 0.000 0.750 864 E HN 0.542 nan 8.360 nan 0.000 0.458 865 A N -0.028 122.770 122.820 -0.037 0.000 1.873 865 A HA -0.156 4.165 4.320 0.001 0.000 0.215 865 A C 2.148 179.742 177.584 0.016 0.000 1.186 865 A CA 1.388 53.414 52.037 -0.017 0.000 0.616 865 A CB -0.936 18.050 19.000 -0.022 0.000 0.823 865 A HN 0.440 nan 8.150 nan 0.000 0.442 866 F N 0.251 120.150 119.950 -0.086 0.000 2.161 866 F HA -0.165 4.363 4.527 0.001 0.000 0.300 866 F C 1.718 177.504 175.800 -0.023 0.000 1.089 866 F CA 1.375 59.342 58.000 -0.055 0.000 1.282 866 F CB -0.257 38.707 39.000 -0.059 0.000 1.010 866 F HN 0.144 nan 8.300 nan 0.000 0.485 867 L N 0.579 121.695 121.223 -0.179 0.000 2.083 867 L HA -0.197 4.143 4.340 0.001 0.000 0.209 867 L C 2.352 179.119 176.870 -0.171 0.000 1.083 867 L CA 1.612 56.351 54.840 -0.168 0.000 0.752 867 L CB -1.075 40.989 42.059 0.008 0.000 0.899 867 L HN 0.246 nan 8.230 nan 0.000 0.433 868 I N -1.601 118.898 120.570 -0.118 0.000 2.353 868 I HA -0.265 3.905 4.170 0.001 0.000 0.248 868 I C 2.169 178.176 176.117 -0.184 0.000 1.119 868 I CA 1.179 62.416 61.300 -0.105 0.000 1.417 868 I CB -0.478 37.489 38.000 -0.055 0.000 1.078 868 I HN 0.212 nan 8.210 nan 0.000 0.421 869 T N 0.868 115.298 114.554 -0.207 0.000 2.746 869 T HA -0.151 4.200 4.350 0.001 0.000 0.267 869 T C 1.900 176.423 174.700 -0.295 0.000 1.039 869 T CA 1.224 63.204 62.100 -0.199 0.000 1.142 869 T CB -0.084 68.704 68.868 -0.133 0.000 0.866 869 T HN 0.140 nan 8.240 nan 0.000 0.444 870 M N 1.010 120.312 119.600 -0.496 0.000 2.296 870 M HA 0.031 4.511 4.480 0.001 0.000 0.265 870 M C 2.171 178.230 176.300 -0.402 0.000 1.064 870 M CA 0.991 55.992 55.300 -0.498 0.000 1.109 870 M CB -1.010 31.178 32.600 -0.687 0.000 1.396 870 M HN 0.400 nan 8.290 nan 0.000 0.430 871 E N 0.755 120.696 120.200 -0.432 0.000 2.017 871 E HA -0.237 4.114 4.350 0.001 0.000 0.193 871 E C 1.857 178.286 176.600 -0.283 0.000 0.997 871 E CA 1.610 57.719 56.400 -0.484 0.000 0.804 871 E CB 0.174 29.616 29.700 -0.430 0.000 0.757 871 E HN 0.357 nan 8.360 nan 0.000 0.448 872 K N 0.344 120.622 120.400 -0.203 0.000 2.063 872 K HA -0.127 4.194 4.320 0.001 0.000 0.208 872 K C 2.332 178.857 176.600 -0.124 0.000 1.048 872 K CA 1.353 57.558 56.287 -0.136 0.000 0.928 872 K CB -0.421 32.018 32.500 -0.101 0.000 0.713 872 K HN -0.010 nan 8.250 nan 0.000 0.442 873 S N 0.568 116.184 115.700 -0.141 0.000 2.365 873 S HA -0.145 4.325 4.470 0.001 0.000 0.225 873 S C 1.871 176.413 174.600 -0.097 0.000 1.039 873 S CA 1.253 59.388 58.200 -0.108 0.000 1.033 873 S CB -0.264 62.862 63.200 -0.123 0.000 0.887 873 S HN 0.228 nan 8.310 nan 0.000 0.447 874 I N 1.137 121.625 120.570 -0.137 0.000 2.252 874 I HA -0.137 4.034 4.170 0.001 0.000 0.245 874 I C 2.475 178.538 176.117 -0.090 0.000 1.102 874 I CA 1.378 62.619 61.300 -0.099 0.000 1.385 874 I CB -0.449 37.479 38.000 -0.120 0.000 1.064 874 I HN 0.400 nan 8.210 nan 0.000 0.414 875 E N 0.676 120.809 120.200 -0.111 0.000 2.204 875 E HA -0.216 4.134 4.350 0.001 0.000 0.195 875 E C 1.143 177.698 176.600 -0.075 0.000 0.990 875 E CA 1.103 57.444 56.400 -0.098 0.000 0.821 875 E CB -0.074 29.568 29.700 -0.097 0.000 0.750 875 E HN 0.492 nan 8.360 nan 0.000 0.477 876 D N 0.272 120.634 120.400 -0.063 0.000 2.354 876 D HA 0.024 4.664 4.640 0.001 0.000 0.209 876 D C 0.904 177.190 176.300 -0.024 0.000 1.015 876 D CA 0.205 54.180 54.000 -0.042 0.000 0.867 876 D CB 0.018 40.796 40.800 -0.037 0.000 0.933 876 D HN 0.260 nan 8.370 nan 0.000 0.520 877 M N 0.731 120.322 119.600 -0.015 0.000 2.243 877 M HA 0.222 4.702 4.480 0.001 0.000 0.341 877 M C 0.436 176.750 176.300 0.022 0.000 1.130 877 M CA -0.326 54.988 55.300 0.023 0.000 1.162 877 M CB 0.675 33.318 32.600 0.071 0.000 1.497 877 M HN -0.167 nan 8.290 nan 0.000 0.456 878 T N -1.055 113.520 114.554 0.036 0.000 2.899 878 T HA 0.147 4.497 4.350 0.001 0.000 0.295 878 T C 0.924 175.666 174.700 0.070 0.000 1.033 878 T CA -0.578 61.541 62.100 0.031 0.000 1.084 878 T CB 1.040 69.924 68.868 0.026 0.000 0.979 878 T HN 0.804 nan 8.240 nan 0.000 0.532 879 E N 0.378 120.608 120.200 0.050 0.000 2.160 879 E HA -0.162 4.188 4.350 0.001 0.000 0.195 879 E C 1.917 178.594 176.600 0.129 0.000 0.991 879 E CA 0.971 57.428 56.400 0.096 0.000 0.810 879 E CB -0.191 29.538 29.700 0.048 0.000 0.742 879 E HN 0.787 nan 8.360 nan 0.000 0.466 880 E N 0.276 120.516 120.200 0.066 0.000 2.017 880 E HA -0.154 4.196 4.350 0.001 0.000 0.193 880 E C 1.911 178.514 176.600 0.005 0.000 0.997 880 E CA 1.267 57.686 56.400 0.031 0.000 0.804 880 E CB -0.206 29.503 29.700 0.016 0.000 0.757 880 E HN 0.200 nan 8.360 nan 0.000 0.448 881 A N 0.556 123.385 122.820 0.016 0.000 1.902 881 A HA -0.194 4.127 4.320 0.001 0.000 0.217 881 A C 2.179 179.768 177.584 0.008 0.000 1.181 881 A CA 1.497 53.512 52.037 -0.036 0.000 0.623 881 A CB -0.984 18.028 19.000 0.020 0.000 0.818 881 A HN 0.383 nan 8.150 nan 0.000 0.443 882 F N 0.459 120.411 119.950 0.003 0.000 2.095 882 F HA -0.228 4.299 4.527 0.001 0.000 0.298 882 F C 2.360 178.171 175.800 0.018 0.000 1.104 882 F CA 2.362 60.396 58.000 0.057 0.000 1.232 882 F CB -0.363 38.653 39.000 0.027 0.000 0.987 882 F HN 0.269 nan 8.300 nan 0.000 0.475 883 Q N 0.712 120.503 119.800 -0.015 0.000 2.224 883 Q HA -0.137 4.204 4.340 0.001 0.000 0.203 883 Q C 2.119 177.993 176.000 -0.210 0.000 0.970 883 Q CA 1.456 57.188 55.803 -0.119 0.000 0.865 883 Q CB -0.217 28.520 28.738 -0.001 0.000 0.922 883 Q HN 0.367 nan 8.270 nan 0.000 0.445 884 K N -0.870 119.374 120.400 -0.259 0.000 2.026 884 K HA -0.168 4.152 4.320 0.001 0.000 0.208 884 K C 1.985 178.325 176.600 -0.434 0.000 1.048 884 K CA 1.310 57.357 56.287 -0.399 0.000 0.929 884 K CB -0.229 31.938 32.500 -0.556 0.000 0.713 884 K HN 0.415 nan 8.250 nan 0.000 0.439 885 H N 0.767 119.643 119.070 -0.323 0.000 2.353 885 H HA -0.067 4.490 4.556 0.001 0.000 0.300 885 H C 2.267 177.409 175.328 -0.310 0.000 1.090 885 H CA 1.200 57.058 56.048 -0.317 0.000 1.327 885 H CB -0.256 29.311 29.762 -0.325 0.000 1.383 885 H HN 0.162 nan 8.280 nan 0.000 0.508 886 I N 0.691 121.098 120.570 -0.272 0.000 2.163 886 I HA -0.298 3.872 4.170 0.001 0.000 0.243 886 I C 2.711 178.740 176.117 -0.147 0.000 1.085 886 I CA 1.414 62.571 61.300 -0.238 0.000 1.347 886 I CB -0.129 37.701 38.000 -0.283 0.000 1.044 886 I HN 0.178 nan 8.210 nan 0.000 0.408 887 Q N 1.122 120.827 119.800 -0.158 0.000 2.119 887 Q HA -0.128 4.212 4.340 0.001 0.000 0.201 887 Q C 2.074 178.006 176.000 -0.114 0.000 0.972 887 Q CA 2.026 57.759 55.803 -0.117 0.000 0.847 887 Q CB -0.263 28.401 28.738 -0.123 0.000 0.903 887 Q HN 0.486 nan 8.270 nan 0.000 0.433 888 A N 0.348 123.071 122.820 -0.161 0.000 1.877 888 A HA -0.143 4.177 4.320 0.001 0.000 0.216 888 A C 2.145 179.687 177.584 -0.070 0.000 1.186 888 A CA 1.369 53.324 52.037 -0.138 0.000 0.620 888 A CB -0.901 17.994 19.000 -0.175 0.000 0.822 888 A HN 0.482 nan 8.150 nan 0.000 0.443 889 L N -0.790 120.396 121.223 -0.061 0.000 2.046 889 L HA -0.195 4.145 4.340 0.001 0.000 0.208 889 L C 3.032 179.889 176.870 -0.021 0.000 1.077 889 L CA 1.272 56.092 54.840 -0.034 0.000 0.747 889 L CB -0.493 41.544 42.059 -0.036 0.000 0.896 889 L HN 0.464 nan 8.230 nan 0.000 0.432 890 A N 0.338 123.141 122.820 -0.030 0.000 1.892 890 A HA -0.271 4.049 4.320 0.001 0.000 0.218 890 A C 2.077 179.664 177.584 0.006 0.000 1.188 890 A CA 2.080 54.110 52.037 -0.011 0.000 0.631 890 A CB -0.796 18.193 19.000 -0.018 0.000 0.822 890 A HN 0.473 nan 8.150 nan 0.000 0.447 891 I N -1.217 119.354 120.570 0.001 0.000 2.252 891 I HA -0.246 3.924 4.170 0.001 0.000 0.245 891 I C 2.796 178.931 176.117 0.030 0.000 1.102 891 I CA 1.238 62.552 61.300 0.024 0.000 1.385 891 I CB -0.343 37.669 38.000 0.020 0.000 1.064 891 I HN 0.291 nan 8.210 nan 0.000 0.414 892 R N 0.332 120.842 120.500 0.017 0.000 2.083 892 R HA -0.120 4.220 4.340 0.001 0.000 0.237 892 R C 2.410 178.726 176.300 0.027 0.000 1.137 892 R CA 1.134 57.248 56.100 0.023 0.000 0.951 892 R CB -0.251 30.057 30.300 0.014 0.000 0.851 892 R HN 0.256 nan 8.270 nan 0.000 0.434 893 R N 0.553 121.066 120.500 0.022 0.000 2.148 893 R HA 0.003 4.343 4.340 0.001 0.000 0.223 893 R C 2.081 178.400 176.300 0.033 0.000 1.088 893 R CA 0.907 57.021 56.100 0.024 0.000 0.985 893 R CB -0.266 30.044 30.300 0.018 0.000 0.880 893 R HN 0.299 nan 8.270 nan 0.000 0.451 894 L N 0.539 121.785 121.223 0.038 0.000 2.529 894 L HA 0.061 4.402 4.340 0.001 0.000 0.223 894 L C 0.310 177.211 176.870 0.052 0.000 1.113 894 L CA -0.269 54.599 54.840 0.047 0.000 0.861 894 L CB -0.201 41.887 42.059 0.049 0.000 1.012 894 L HN -0.021 nan 8.230 nan 0.000 0.461 895 D N 1.892 122.323 120.400 0.052 0.000 2.520 895 D HA -0.042 4.598 4.640 0.001 0.000 0.243 895 D C 0.043 176.373 176.300 0.050 0.000 1.160 895 D CA 0.578 54.611 54.000 0.056 0.000 0.877 895 D CB 0.655 41.488 40.800 0.055 0.000 1.150 895 D HN -0.227 nan 8.370 nan 0.000 0.494 896 K N 4.938 125.369 120.400 0.051 0.000 2.118 896 K HA 0.375 4.695 4.320 0.001 0.000 0.267 896 K C -2.160 174.481 176.600 0.069 0.000 0.991 896 K CA -2.039 54.281 56.287 0.056 0.000 0.916 896 K CB 0.796 33.325 32.500 0.048 0.000 1.041 896 K HN 0.447 nan 8.250 nan 0.000 0.455 897 P HA 0.015 nan 4.420 nan 0.000 0.264 897 P C -0.117 177.295 177.300 0.187 0.000 1.183 897 P CA 0.046 63.203 63.100 0.095 0.000 0.763 897 P CB 0.564 32.318 31.700 0.090 0.000 0.807 898 K N 1.841 122.292 120.400 0.085 0.000 2.361 898 K HA 0.082 4.403 4.320 0.001 0.000 0.194 898 K C 0.926 177.509 176.600 -0.027 0.000 1.032 898 K CA 0.677 57.041 56.287 0.129 0.000 1.048 898 K CB 0.266 32.774 32.500 0.012 0.000 0.842 898 K HN 0.594 nan 8.250 nan 0.000 0.526 899 K N -0.490 119.655 120.400 -0.425 0.000 2.482 899 K HA 0.274 4.594 4.320 0.001 0.000 0.257 899 K C 0.611 176.406 176.600 -1.341 0.000 0.969 899 K CA -0.813 54.894 56.287 -0.967 0.000 0.842 899 K CB 1.532 33.743 32.500 -0.482 0.000 1.359 899 K HN -0.208 nan 8.250 nan 0.000 0.441 900 L N 1.896 122.253 121.223 -1.444 0.000 1.990 900 L HA -0.253 4.088 4.340 0.001 0.000 0.213 900 L C 2.365 178.984 176.870 -0.417 0.000 1.072 900 L CA 2.879 57.198 54.840 -0.868 0.000 0.755 900 L CB -0.706 41.009 42.059 -0.572 0.000 0.889 900 L HN 0.977 nan 8.230 nan 0.000 0.432 901 S N -0.774 114.722 115.700 -0.340 0.000 2.419 901 S HA -0.139 4.332 4.470 0.001 0.000 0.235 901 S C 2.027 176.538 174.600 -0.148 0.000 1.019 901 S CA 0.897 58.979 58.200 -0.197 0.000 0.982 901 S CB -0.924 62.173 63.200 -0.172 0.000 0.789 901 S HN 0.551 nan 8.310 nan 0.000 0.490 902 A N 1.389 124.095 122.820 -0.190 0.000 1.930 902 A HA 0.050 4.371 4.320 0.001 0.000 0.215 902 A C 2.192 179.708 177.584 -0.113 0.000 1.176 902 A CA 1.219 53.182 52.037 -0.124 0.000 0.632 902 A CB -0.634 18.294 19.000 -0.119 0.000 0.819 902 A HN 0.654 nan 8.150 nan 0.000 0.445 903 E N -0.713 119.417 120.200 -0.118 0.000 2.072 903 E HA -0.180 4.170 4.350 0.001 0.000 0.190 903 E C 2.058 178.447 176.600 -0.351 0.000 0.982 903 E CA 1.156 57.449 56.400 -0.179 0.000 0.803 903 E CB -0.230 29.525 29.700 0.091 0.000 0.755 903 E HN 0.599 nan 8.360 nan 0.000 0.453 904 C N 0.471 119.750 119.300 -0.035 0.000 2.432 904 C HA -0.060 4.401 4.460 0.001 0.000 0.277 904 C C 2.902 177.938 174.990 0.077 0.000 1.249 904 C CA 1.374 60.464 59.018 0.120 0.000 1.725 904 C CB -1.104 26.739 27.740 0.172 0.000 2.028 904 C HN 0.580 nan 8.230 nan 0.000 0.477 905 A N 0.221 123.059 122.820 0.030 0.000 1.917 905 A HA -0.236 4.085 4.320 0.001 0.000 0.219 905 A C 2.193 179.839 177.584 0.102 0.000 1.182 905 A CA 2.123 54.219 52.037 0.099 0.000 0.633 905 A CB -0.626 18.396 19.000 0.036 0.000 0.819 905 A HN 0.783 nan 8.150 nan 0.000 0.448 906 K N -1.405 118.979 120.400 -0.027 0.000 2.026 906 K HA -0.134 4.186 4.320 0.001 0.000 0.208 906 K C 1.888 178.556 176.600 0.115 0.000 1.048 906 K CA 1.835 58.107 56.287 -0.025 0.000 0.929 906 K CB -0.385 32.037 32.500 -0.130 0.000 0.713 906 K HN 0.739 nan 8.250 nan 0.000 0.439 907 Y N -0.701 119.689 120.300 0.149 0.000 2.200 907 Y HA -0.262 4.288 4.550 0.001 0.000 0.290 907 Y C 2.365 178.410 175.900 0.243 0.000 1.137 907 Y CA 0.260 58.481 58.100 0.201 0.000 1.163 907 Y CB -0.166 38.294 38.460 -0.000 0.000 0.988 907 Y HN 0.328 nan 8.280 nan 0.000 0.518 908 W N 1.267 122.657 121.300 0.150 0.000 2.363 908 W HA -0.183 4.478 4.660 0.001 0.000 0.296 908 W C 2.121 178.634 176.519 -0.010 0.000 1.212 908 W CA 1.308 58.693 57.345 0.066 0.000 1.260 908 W CB -0.388 29.107 29.460 0.059 0.000 1.131 908 W HN 0.144 nan 8.180 nan 0.000 0.530 909 G N 0.484 109.309 108.800 0.041 0.000 2.440 909 G HA2 -0.300 3.661 3.960 0.001 0.000 0.218 909 G HA3 -0.300 3.661 3.960 0.001 0.000 0.218 909 G C 1.301 176.052 174.900 -0.248 0.000 1.154 909 G CA 1.002 46.026 45.100 -0.125 0.000 0.767 909 G HN 0.213 nan 8.290 nan 0.000 0.552 910 E N 0.357 120.431 120.200 -0.211 0.000 2.106 910 E HA -0.024 4.327 4.350 0.001 0.000 0.192 910 E C 2.590 178.763 176.600 -0.711 0.000 0.984 910 E CA 0.450 56.595 56.400 -0.425 0.000 0.806 910 E CB -0.116 29.306 29.700 -0.463 0.000 0.750 910 E HN 0.538 nan 8.360 nan 0.000 0.458 911 I N 0.764 120.986 120.570 -0.579 0.000 2.233 911 I HA -0.198 3.972 4.170 0.001 0.000 0.243 911 I C 2.224 177.919 176.117 -0.704 0.000 1.093 911 I CA 0.482 61.351 61.300 -0.718 0.000 1.380 911 I CB -0.131 37.617 38.000 -0.419 0.000 1.067 911 I HN 0.035 nan 8.210 nan 0.000 0.413 912 I N 0.965 121.087 120.570 -0.747 0.000 2.226 912 I HA -0.244 3.926 4.170 0.001 0.000 0.245 912 I C 2.734 178.625 176.117 -0.378 0.000 1.100 912 I CA 1.923 62.861 61.300 -0.604 0.000 1.374 912 I CB -1.246 36.345 38.000 -0.682 0.000 1.057 912 I HN 0.319 nan 8.210 nan 0.000 0.413 913 S N 0.144 115.602 115.700 -0.402 0.000 2.522 913 S HA -0.087 4.383 4.470 0.001 0.000 0.227 913 S C 0.967 175.341 174.600 -0.377 0.000 0.986 913 S CA 0.032 58.047 58.200 -0.308 0.000 0.929 913 S CB -0.240 62.795 63.200 -0.275 0.000 0.769 913 S HN 0.555 nan 8.310 nan 0.000 0.529 914 Q N -0.265 119.156 119.800 -0.632 0.000 2.494 914 Q HA -0.241 4.099 4.340 0.001 0.000 0.272 914 Q C 0.578 176.178 176.000 -0.666 0.000 1.145 914 Q CA 1.061 56.367 55.803 -0.827 0.000 0.943 914 Q CB -1.908 26.676 28.738 -0.256 0.000 1.338 914 Q HN 0.760 nan 8.270 nan 0.000 0.492 915 Q N -1.230 118.150 119.800 -0.701 0.000 2.392 915 Q HA 0.035 4.375 4.340 0.001 0.000 0.219 915 Q C -0.366 175.443 176.000 -0.318 0.000 0.895 915 Q CA 0.250 55.844 55.803 -0.347 0.000 0.929 915 Q CB 0.496 29.064 28.738 -0.283 0.000 1.077 915 Q HN 0.542 nan 8.270 nan 0.000 0.532 916 Y N 0.636 120.617 120.300 -0.532 0.000 3.152 916 Y HA -0.251 4.300 4.550 0.001 0.000 0.212 916 Y C 0.124 175.363 175.900 -1.102 0.000 1.198 916 Y CA 0.302 57.810 58.100 -0.987 0.000 1.220 916 Y CB -2.011 36.029 38.460 -0.701 0.000 1.326 916 Y HN 0.145 nan 8.280 nan 0.000 0.562 917 N N 0.745 118.986 118.700 -0.765 0.000 3.105 917 N HA 0.191 4.932 4.740 0.001 0.000 0.256 917 N C 0.392 175.533 175.510 -0.616 0.000 1.174 917 N CA -0.411 52.226 53.050 -0.688 0.000 1.030 917 N CB -0.311 37.951 38.487 -0.374 0.000 1.305 917 N HN 0.173 nan 8.380 nan 0.000 0.509 918 F N -0.122 119.535 119.950 -0.489 0.000 2.365 918 F HA 0.008 4.535 4.527 0.001 0.000 0.300 918 F C 1.736 177.032 175.800 -0.841 0.000 1.090 918 F CA 0.490 58.119 58.000 -0.618 0.000 1.408 918 F CB -0.018 38.482 39.000 -0.833 0.000 1.060 918 F HN 0.335 nan 8.300 nan 0.000 0.534 919 D N -0.414 119.659 120.400 -0.546 0.000 2.427 919 D HA 0.042 4.683 4.640 0.001 0.000 0.224 919 D C 2.092 178.310 176.300 -0.138 0.000 1.157 919 D CA -0.071 53.742 54.000 -0.312 0.000 0.828 919 D CB -0.112 40.602 40.800 -0.142 0.000 0.974 919 D HN 0.031 nan 8.370 nan 0.000 0.498 920 R N 0.384 120.784 120.500 -0.167 0.000 2.112 920 R HA -0.191 4.150 4.340 0.001 0.000 0.242 920 R C 0.856 177.131 176.300 -0.042 0.000 1.137 920 R CA 1.990 58.024 56.100 -0.110 0.000 0.944 920 R CB -0.059 30.167 30.300 -0.122 0.000 0.857 920 R HN 0.152 nan 8.270 nan 0.000 0.435 921 D N 0.126 120.521 120.400 -0.009 0.000 2.116 921 D HA -0.168 4.472 4.640 0.001 0.000 0.193 921 D C 1.665 177.985 176.300 0.033 0.000 0.998 921 D CA 1.805 55.817 54.000 0.020 0.000 0.836 921 D CB -0.635 40.192 40.800 0.044 0.000 0.951 921 D HN 0.433 nan 8.370 nan 0.000 0.449 922 N N -0.125 118.604 118.700 0.049 0.000 2.084 922 N HA -0.112 4.628 4.740 0.001 0.000 0.190 922 N C 1.805 177.343 175.510 0.047 0.000 1.030 922 N CA 1.725 54.809 53.050 0.057 0.000 0.849 922 N CB -0.302 38.233 38.487 0.079 0.000 1.012 922 N HN 0.082 nan 8.380 nan 0.000 0.423 923 T N 1.019 115.592 114.554 0.032 0.000 2.595 923 T HA -0.151 4.199 4.350 0.001 0.000 0.264 923 T C 1.565 176.292 174.700 0.044 0.000 1.058 923 T CA 1.334 63.453 62.100 0.031 0.000 1.166 923 T CB -0.421 68.448 68.868 0.001 0.000 0.863 923 T HN 0.320 nan 8.240 nan 0.000 0.415 924 E N 0.359 120.570 120.200 0.018 0.000 2.118 924 E HA -0.101 4.249 4.350 0.001 0.000 0.195 924 E C 2.347 178.995 176.600 0.080 0.000 0.992 924 E CA 0.950 57.369 56.400 0.033 0.000 0.804 924 E CB -0.254 29.439 29.700 -0.012 0.000 0.741 924 E HN 0.230 nan 8.360 nan 0.000 0.458 925 V N 1.203 121.149 119.914 0.053 0.000 2.427 925 V HA -0.226 3.894 4.120 0.001 0.000 0.248 925 V C 2.282 178.405 176.094 0.049 0.000 1.051 925 V CA 1.622 63.949 62.300 0.044 0.000 1.048 925 V CB -0.563 31.279 31.823 0.032 0.000 0.666 925 V HN 0.306 nan 8.190 nan 0.000 0.456 926 A N -0.659 122.199 122.820 0.063 0.000 1.877 926 A HA -0.286 4.034 4.320 0.001 0.000 0.216 926 A C 2.167 179.792 177.584 0.067 0.000 1.186 926 A CA 2.195 54.267 52.037 0.059 0.000 0.620 926 A CB -0.802 18.238 19.000 0.067 0.000 0.822 926 A HN 0.630 nan 8.150 nan 0.000 0.443 927 Y N 0.081 120.368 120.300 -0.021 0.000 2.181 927 Y HA -0.154 4.396 4.550 0.001 0.000 0.288 927 Y C 2.060 177.944 175.900 -0.027 0.000 1.146 927 Y CA 1.668 59.747 58.100 -0.035 0.000 1.164 927 Y CB -0.297 38.119 38.460 -0.073 0.000 0.982 927 Y HN 0.266 nan 8.280 nan 0.000 0.515 928 L N 0.639 121.883 121.223 0.036 0.000 1.997 928 L HA -0.340 4.000 4.340 0.001 0.000 0.216 928 L C 2.099 178.915 176.870 -0.091 0.000 1.074 928 L CA 2.213 57.036 54.840 -0.027 0.000 0.763 928 L CB -0.453 41.616 42.059 0.017 0.000 0.890 928 L HN 0.279 nan 8.230 nan 0.000 0.434 929 K N -1.188 119.173 120.400 -0.064 0.000 2.442 929 K HA -0.133 4.187 4.320 0.001 0.000 0.199 929 K C 1.705 178.269 176.600 -0.061 0.000 1.044 929 K CA 1.469 57.725 56.287 -0.051 0.000 0.941 929 K CB -0.132 32.352 32.500 -0.027 0.000 0.759 929 K HN 0.425 nan 8.250 nan 0.000 0.472 930 T N 0.931 115.398 114.554 -0.145 0.000 3.009 930 T HA 0.030 4.380 4.350 0.001 0.000 0.258 930 T C 0.386 175.013 174.700 -0.121 0.000 1.063 930 T CA 0.009 62.010 62.100 -0.165 0.000 1.139 930 T CB 0.063 68.747 68.868 -0.307 0.000 0.890 930 T HN -0.056 nan 8.240 nan 0.000 0.471 931 L N 3.223 124.367 121.223 -0.132 0.000 2.543 931 L HA 0.156 4.497 4.340 0.001 0.000 0.285 931 L C 1.127 178.130 176.870 0.222 0.000 1.236 931 L CA 0.574 55.449 54.840 0.058 0.000 0.871 931 L CB 0.058 42.205 42.059 0.146 0.000 1.121 931 L HN 0.289 nan 8.230 nan 0.000 0.501 932 T N -0.459 114.204 114.554 0.182 0.000 2.949 932 T HA 0.348 4.698 4.350 0.001 0.000 0.287 932 T C 0.918 175.503 174.700 -0.192 0.000 1.034 932 T CA -0.771 61.367 62.100 0.064 0.000 1.018 932 T CB 1.254 70.102 68.868 -0.033 0.000 1.135 932 T HN 0.594 nan 8.240 nan 0.000 0.532 933 K N 0.206 120.097 120.400 -0.849 0.000 2.103 933 K HA -0.187 4.133 4.320 0.001 0.000 0.207 933 K C 2.036 178.417 176.600 -0.365 0.000 1.048 933 K CA 1.764 57.411 56.287 -1.067 0.000 0.930 933 K CB -0.155 31.721 32.500 -1.039 0.000 0.716 933 K HN 0.816 nan 8.250 nan 0.000 0.444 934 E N 0.401 120.458 120.200 -0.238 0.000 2.110 934 E HA -0.208 4.143 4.350 0.001 0.000 0.193 934 E C 1.323 177.878 176.600 -0.075 0.000 0.988 934 E CA 1.491 57.816 56.400 -0.125 0.000 0.804 934 E CB 0.059 29.704 29.700 -0.092 0.000 0.745 934 E HN 0.354 nan 8.360 nan 0.000 0.458 935 D N 0.772 121.139 120.400 -0.054 0.000 2.123 935 D HA -0.191 4.450 4.640 0.001 0.000 0.196 935 D C 1.980 178.210 176.300 -0.116 0.000 0.992 935 D CA 0.893 54.850 54.000 -0.072 0.000 0.833 935 D CB -0.123 40.694 40.800 0.029 0.000 0.954 935 D HN 0.282 nan 8.370 nan 0.000 0.455 936 I N 1.337 121.916 120.570 0.015 0.000 2.226 936 I HA -0.195 3.976 4.170 0.001 0.000 0.245 936 I C 2.438 178.650 176.117 0.157 0.000 1.100 936 I CA 0.622 62.014 61.300 0.152 0.000 1.374 936 I CB -0.825 37.350 38.000 0.293 0.000 1.057 936 I HN 0.018 nan 8.210 nan 0.000 0.413 937 I N 1.111 121.714 120.570 0.055 0.000 2.226 937 I HA -0.266 3.905 4.170 0.001 0.000 0.245 937 I C 2.410 178.561 176.117 0.056 0.000 1.100 937 I CA 1.419 62.744 61.300 0.042 0.000 1.374 937 I CB -1.109 36.874 38.000 -0.028 0.000 1.057 937 I HN 0.267 nan 8.210 nan 0.000 0.413 938 K N 0.333 120.733 120.400 0.001 0.000 2.026 938 K HA -0.209 4.112 4.320 0.001 0.000 0.208 938 K C 2.133 178.706 176.600 -0.046 0.000 1.048 938 K CA 1.430 57.701 56.287 -0.028 0.000 0.929 938 K CB -0.514 31.957 32.500 -0.048 0.000 0.713 938 K HN 0.121 nan 8.250 nan 0.000 0.439 939 F N 0.998 120.805 119.950 -0.239 0.000 2.091 939 F HA -0.304 4.223 4.527 0.001 0.000 0.299 939 F C 2.203 177.870 175.800 -0.221 0.000 1.103 939 F CA 1.469 59.292 58.000 -0.295 0.000 1.228 939 F CB -0.668 38.060 39.000 -0.452 0.000 0.984 939 F HN 0.106 nan 8.300 nan 0.000 0.477 940 Y N 1.150 121.172 120.300 -0.463 0.000 2.242 940 Y HA -0.128 4.423 4.550 0.001 0.000 0.291 940 Y C 2.259 177.902 175.900 -0.428 0.000 1.137 940 Y CA 2.066 59.811 58.100 -0.592 0.000 1.181 940 Y CB -0.520 37.764 38.460 -0.293 0.000 0.989 940 Y HN 0.046 nan 8.280 nan 0.000 0.527 941 K N -0.070 120.226 120.400 -0.172 0.000 2.288 941 K HA -0.152 4.168 4.320 0.001 0.000 0.201 941 K C 1.972 178.404 176.600 -0.280 0.000 1.048 941 K CA 1.381 57.551 56.287 -0.195 0.000 0.956 941 K CB -0.011 32.470 32.500 -0.031 0.000 0.746 941 K HN 0.470 nan 8.250 nan 0.000 0.461 942 E N -0.350 119.675 120.200 -0.292 0.000 2.216 942 E HA -0.013 4.337 4.350 0.001 0.000 0.192 942 E C 1.517 177.916 176.600 -0.335 0.000 0.973 942 E CA 0.409 56.662 56.400 -0.245 0.000 0.851 942 E CB 0.455 30.071 29.700 -0.140 0.000 0.804 942 E HN 0.103 nan 8.360 nan 0.000 0.477 943 M N -0.434 118.855 119.600 -0.518 0.000 2.638 943 M HA 0.158 4.638 4.480 0.001 0.000 0.256 943 M C 1.818 177.751 176.300 -0.613 0.000 1.282 943 M CA 0.534 55.505 55.300 -0.548 0.000 1.155 943 M CB 0.120 32.354 32.600 -0.610 0.000 1.345 943 M HN 0.095 nan 8.290 nan 0.000 0.523 944 L N -0.338 120.378 121.223 -0.845 0.000 2.577 944 L HA 0.426 4.766 4.340 0.001 0.000 0.225 944 L C 1.280 177.593 176.870 -0.928 0.000 1.053 944 L CA -0.209 54.095 54.840 -0.892 0.000 0.866 944 L CB -0.460 40.976 42.059 -1.037 0.000 1.132 944 L HN 0.058 nan 8.230 nan 0.000 0.486 945 A N 0.509 122.619 122.820 -1.183 0.000 2.547 945 A HA 0.025 4.345 4.320 0.001 0.000 0.233 945 A C 1.423 178.748 177.584 -0.431 0.000 1.067 945 A CA 0.335 51.867 52.037 -0.841 0.000 0.763 945 A CB 0.380 19.014 19.000 -0.610 0.000 1.007 945 A HN 0.033 nan 8.150 nan 0.000 0.506 946 V N 0.845 120.597 119.914 -0.270 0.000 2.568 946 V HA -0.163 3.957 4.120 0.001 0.000 0.253 946 V C 1.259 177.256 176.094 -0.162 0.000 1.072 946 V CA 2.760 64.945 62.300 -0.192 0.000 1.084 946 V CB -0.706 31.035 31.823 -0.137 0.000 0.676 946 V HN 1.027 nan 8.190 nan 0.000 0.469 947 D N -0.338 119.968 120.400 -0.156 0.000 2.559 947 D HA 0.322 4.963 4.640 0.001 0.000 0.234 947 D C 0.389 176.602 176.300 -0.146 0.000 1.226 947 D CA 0.350 54.277 54.000 -0.121 0.000 0.830 947 D CB -0.045 40.705 40.800 -0.083 0.000 1.028 947 D HN 0.438 nan 8.370 nan 0.000 0.492 948 A N 2.125 124.817 122.820 -0.213 0.000 2.477 948 A HA 0.355 4.675 4.320 0.001 0.000 0.246 948 A C -0.999 176.476 177.584 -0.182 0.000 1.078 948 A CA -0.892 51.000 52.037 -0.241 0.000 0.770 948 A CB 0.574 19.357 19.000 -0.363 0.000 1.011 948 A HN 0.086 nan 8.150 nan 0.000 0.494 949 P HA -0.065 nan 4.420 nan 0.000 0.225 949 P C 0.526 177.757 177.300 -0.116 0.000 1.156 949 P CA 1.012 64.051 63.100 -0.103 0.000 0.787 949 P CB 0.282 31.940 31.700 -0.071 0.000 0.802 950 R N -0.082 120.301 120.500 -0.195 0.000 2.700 950 R HA 0.229 4.569 4.340 0.001 0.000 0.377 950 R C 0.635 176.520 176.300 -0.691 0.000 1.130 950 R CA -0.475 55.446 56.100 -0.299 0.000 1.055 950 R CB 0.394 30.599 30.300 -0.159 0.000 1.387 950 R HN 0.113 nan 8.270 nan 0.000 0.580 951 R N 0.990 121.217 120.500 -0.455 0.000 2.401 951 R HA 0.067 4.407 4.340 0.001 0.000 0.299 951 R C -0.877 175.219 176.300 -0.341 0.000 1.064 951 R CA 0.164 56.031 56.100 -0.388 0.000 1.000 951 R CB 0.341 30.516 30.300 -0.208 0.000 0.973 951 R HN 0.273 nan 8.270 nan 0.000 0.438 952 H N 3.334 122.435 119.070 0.053 0.000 2.866 952 H HA 0.230 4.786 4.556 0.001 0.000 0.287 952 H C -0.799 174.570 175.328 0.069 0.000 1.106 952 H CA -0.763 55.341 56.048 0.094 0.000 1.396 952 H CB 1.210 31.018 29.762 0.077 0.000 1.469 952 H HN 0.294 nan 8.280 nan 0.000 0.500 953 K N 3.242 123.783 120.400 0.234 0.000 2.292 953 K HA 0.573 4.893 4.320 0.001 0.000 0.257 953 K C -1.435 175.423 176.600 0.431 0.000 0.940 953 K CA -0.763 55.604 56.287 0.132 0.000 0.811 953 K CB 1.545 33.976 32.500 -0.115 0.000 1.120 953 K HN 0.302 nan 8.250 nan 0.000 0.428 954 V N 2.584 122.693 119.914 0.326 0.000 2.588 954 V HA 0.391 4.511 4.120 0.001 0.000 0.304 954 V C -0.887 175.413 176.094 0.344 0.000 1.042 954 V CA -0.781 61.759 62.300 0.401 0.000 0.877 954 V CB 2.008 34.033 31.823 0.337 0.000 0.996 954 V HN 0.827 nan 8.190 nan 0.000 0.425 955 S N 3.027 118.932 115.700 0.342 0.000 2.500 955 S HA 0.708 5.178 4.470 0.001 0.000 0.301 955 S C -0.612 174.113 174.600 0.209 0.000 1.092 955 S CA -0.626 57.779 58.200 0.342 0.000 1.030 955 S CB 2.013 65.544 63.200 0.552 0.000 1.031 955 S HN 0.446 nan 8.310 nan 0.000 0.483 956 V N 4.350 124.459 119.914 0.324 0.000 2.357 956 V HA 0.368 4.489 4.120 0.001 0.000 0.284 956 V C -1.021 175.358 176.094 0.476 0.000 1.018 956 V CA -0.674 61.820 62.300 0.324 0.000 0.841 956 V CB 0.804 32.852 31.823 0.375 0.000 0.991 956 V HN 0.791 nan 8.190 nan 0.000 0.437 957 H N 3.289 122.440 119.070 0.135 0.000 2.504 957 H HA 0.579 5.135 4.556 0.001 0.000 0.322 957 H C -0.420 174.970 175.328 0.103 0.000 1.055 957 H CA -0.825 55.294 56.048 0.117 0.000 1.231 957 H CB 1.723 31.530 29.762 0.075 0.000 1.417 957 H HN 0.363 nan 8.280 nan 0.000 0.472 958 V N 5.802 125.875 119.914 0.264 0.000 2.357 958 V HA 0.220 4.340 4.120 0.001 0.000 0.284 958 V C 0.379 176.571 176.094 0.163 0.000 1.018 958 V CA -0.679 61.762 62.300 0.236 0.000 0.841 958 V CB 1.036 33.039 31.823 0.299 0.000 0.991 958 V HN 0.554 nan 8.190 nan 0.000 0.437 959 L N 3.716 125.018 121.223 0.131 0.000 2.418 959 L HA 0.643 4.983 4.340 0.001 0.000 0.265 959 L C 0.952 177.877 176.870 0.091 0.000 1.143 959 L CA -0.287 54.613 54.840 0.100 0.000 0.809 959 L CB 0.863 42.970 42.059 0.079 0.000 1.124 959 L HN 0.713 nan 8.230 nan 0.000 0.456 960 A N 1.997 124.861 122.820 0.073 0.000 2.386 960 A HA 0.161 4.481 4.320 0.001 0.000 0.248 960 A C 1.340 178.958 177.584 0.057 0.000 1.082 960 A CA -0.186 51.889 52.037 0.064 0.000 0.789 960 A CB 0.297 19.327 19.000 0.049 0.000 1.025 960 A HN 0.934 nan 8.150 nan 0.000 0.490 961 R N 0.051 120.582 120.500 0.052 0.000 2.119 961 R HA -0.156 4.184 4.340 0.001 0.000 0.246 961 R C 0.466 176.783 176.300 0.028 0.000 1.146 961 R CA 1.953 58.076 56.100 0.039 0.000 0.962 961 R CB -0.051 30.262 30.300 0.021 0.000 0.863 961 R HN 0.803 nan 8.270 nan 0.000 0.442 962 E N 0.186 120.400 120.200 0.023 0.000 2.463 962 E HA 0.013 4.363 4.350 0.001 0.000 0.191 962 E C -0.033 176.579 176.600 0.021 0.000 1.083 962 E CA 0.367 56.777 56.400 0.016 0.000 0.872 962 E CB 0.090 29.796 29.700 0.009 0.000 0.966 962 E HN 0.424 nan 8.360 nan 0.000 0.491 963 M N 0.303 119.920 119.600 0.029 0.000 2.066 963 M HA 0.182 4.662 4.480 0.001 0.000 0.340 963 M C 1.002 177.318 176.300 0.027 0.000 1.053 963 M CA -0.051 55.268 55.300 0.032 0.000 0.983 963 M CB 1.381 34.009 32.600 0.045 0.000 1.520 963 M HN -0.040 nan 8.290 nan 0.000 0.428 964 D N 2.240 122.651 120.400 0.019 0.000 2.234 964 D HA 0.332 4.972 4.640 0.001 0.000 0.205 964 D C 0.820 177.125 176.300 0.009 0.000 0.962 964 D CA 1.521 55.529 54.000 0.013 0.000 0.855 964 D CB 0.334 41.139 40.800 0.008 0.000 0.951 964 D HN 0.832 nan 8.370 nan 0.000 0.500 965 S N -2.623 113.084 115.700 0.012 0.000 2.611 965 S HA 0.639 5.109 4.470 0.001 0.000 0.268 965 S C -1.115 173.496 174.600 0.018 0.000 1.156 965 S CA 0.038 58.242 58.200 0.005 0.000 0.817 965 S CB 1.546 64.742 63.200 -0.006 0.000 1.122 965 S HN 1.067 nan 8.310 nan 0.000 0.466 966 C N 2.521 121.827 119.300 0.009 0.000 3.254 966 C HA 0.774 5.235 4.460 0.001 0.000 0.405 966 C C -2.684 172.283 174.990 -0.039 0.000 1.027 966 C CA -0.771 58.258 59.018 0.018 0.000 1.192 966 C CB 1.079 28.878 27.740 0.099 0.000 1.567 966 C HN 0.863 nan 8.230 nan 0.000 0.582 967 P HA 0.253 nan 4.420 nan 0.000 0.275 967 P C 0.297 177.520 177.300 -0.129 0.000 1.270 967 P CA 0.184 63.160 63.100 -0.206 0.000 0.791 967 P CB 0.522 32.014 31.700 -0.347 0.000 1.089 968 V N -3.180 116.690 119.914 -0.073 0.000 3.276 968 V HA 0.373 4.493 4.120 0.001 0.000 0.319 968 V C -0.034 176.151 176.094 0.152 0.000 1.427 968 V CA -0.252 62.084 62.300 0.059 0.000 1.102 968 V CB 0.036 31.791 31.823 -0.114 0.000 1.020 968 V HN 0.280 nan 8.190 nan 0.000 0.456 969 V N -0.924 119.054 119.914 0.108 0.000 3.108 969 V HA 0.931 5.051 4.120 0.001 0.000 0.287 969 V C 0.055 176.252 176.094 0.172 0.000 1.436 969 V CA 0.060 62.497 62.300 0.229 0.000 1.001 969 V CB 0.931 32.877 31.823 0.205 0.000 1.141 969 V HN 0.611 nan 8.190 nan 0.000 0.443 980 L N 1.937 123.181 121.223 0.035 0.000 2.352 980 L HA 0.693 5.034 4.340 0.001 0.000 0.269 980 L C 1.248 178.134 176.870 0.026 0.000 1.034 980 L CA -0.969 53.893 54.840 0.036 0.000 0.806 980 L CB 1.813 43.903 42.059 0.051 0.000 1.244 980 L HN 0.439 nan 8.230 nan 0.000 0.447 981 S N 0.447 116.160 115.700 0.022 0.000 2.573 981 S HA 0.084 4.555 4.470 0.001 0.000 0.277 981 S C -0.288 174.316 174.600 0.007 0.000 1.346 981 S CA -0.625 57.583 58.200 0.013 0.000 1.034 981 S CB 0.978 64.188 63.200 0.017 0.000 0.879 981 S HN 0.537 nan 8.310 nan 0.000 0.528 982 Q N 1.259 121.060 119.800 0.002 0.000 2.296 982 Q HA 0.519 4.859 4.340 0.001 0.000 0.262 982 Q C -0.260 175.734 176.000 -0.010 0.000 0.981 982 Q CA 0.066 55.869 55.803 0.001 0.000 0.905 982 Q CB 0.609 29.347 28.738 0.001 0.000 1.186 982 Q HN 0.920 nan 8.270 nan 0.000 0.399 983 A N 6.679 129.492 122.820 -0.012 0.000 2.363 983 A HA 0.576 4.896 4.320 0.001 0.000 0.270 983 A C -2.143 175.431 177.584 -0.016 0.000 1.121 983 A CA -1.240 50.781 52.037 -0.026 0.000 0.800 983 A CB -0.118 18.858 19.000 -0.040 0.000 1.052 983 A HN 0.797 nan 8.150 nan 0.000 0.493 984 P HA 0.374 nan 4.420 nan 0.000 0.277 984 P C -0.254 177.037 177.300 -0.015 0.000 1.240 984 P CA -0.146 62.940 63.100 -0.023 0.000 0.798 984 P CB 1.058 32.735 31.700 -0.038 0.000 0.979 985 A N 3.057 125.875 122.820 -0.004 0.000 2.477 985 A HA 0.403 4.724 4.320 0.001 0.000 0.246 985 A C 0.245 177.832 177.584 0.006 0.000 1.078 985 A CA -0.231 51.814 52.037 0.014 0.000 0.770 985 A CB -0.484 18.526 19.000 0.018 0.000 1.011 985 A HN 0.520 nan 8.150 nan 0.000 0.494 986 L N 2.923 124.168 121.223 0.037 0.000 2.330 986 L HA 0.460 4.801 4.340 0.001 0.000 0.271 986 L C -1.943 175.009 176.870 0.138 0.000 1.013 986 L CA -2.002 52.861 54.840 0.039 0.000 0.816 986 L CB 1.343 43.411 42.059 0.014 0.000 1.287 986 L HN 0.523 nan 8.230 nan 0.000 0.435 987 P HA 0.108 nan 4.420 nan 0.000 0.274 987 P C -1.064 176.417 177.300 0.302 0.000 1.260 987 P CA -0.572 62.649 63.100 0.202 0.000 0.793 987 P CB 0.390 32.202 31.700 0.187 0.000 1.048 988 Q N 1.606 121.495 119.800 0.148 0.000 2.294 988 Q HA 0.271 4.611 4.340 0.001 0.000 0.257 988 Q C -2.200 173.768 176.000 -0.052 0.000 0.955 988 Q CA -1.826 54.003 55.803 0.043 0.000 0.936 988 Q CB -0.024 28.711 28.738 -0.005 0.000 1.188 988 Q HN 0.240 nan 8.270 nan 0.000 0.420 989 P HA 0.140 nan 4.420 nan 0.000 0.279 989 P C -1.078 175.963 177.300 -0.432 0.000 1.252 989 P CA -0.472 62.256 63.100 -0.620 0.000 0.811 989 P CB 0.935 31.701 31.700 -1.556 0.000 1.035 990 E N 1.005 120.938 120.200 -0.447 0.000 2.167 990 E HA 0.280 4.630 4.350 0.001 0.000 0.284 990 E C -0.823 175.663 176.600 -0.189 0.000 1.016 990 E CA -0.757 55.480 56.400 -0.271 0.000 0.817 990 E CB 0.724 30.254 29.700 -0.284 0.000 1.080 990 E HN 0.097 nan 8.360 nan 0.000 0.397 991 V N 6.645 126.475 119.914 -0.140 0.000 2.488 991 V HA 0.134 4.255 4.120 0.001 0.000 0.277 991 V C 0.508 176.596 176.094 -0.011 0.000 1.046 991 V CA -0.216 62.013 62.300 -0.117 0.000 0.986 991 V CB 0.801 32.547 31.823 -0.128 0.000 0.989 991 V HN 0.690 nan 8.190 nan 0.000 0.475 992 I N 4.885 125.456 120.570 0.002 0.000 2.352 992 I HA 0.166 4.336 4.170 0.001 0.000 0.290 992 I C 0.807 176.979 176.117 0.091 0.000 1.036 992 I CA 0.140 61.466 61.300 0.043 0.000 1.336 992 I CB 1.180 39.107 38.000 -0.121 0.000 1.407 992 I HN 0.685 nan 8.210 nan 0.000 0.497 993 Q N 3.376 123.223 119.800 0.077 0.000 2.350 993 Q HA 0.198 4.538 4.340 0.001 0.000 0.225 993 Q C 0.052 176.105 176.000 0.088 0.000 0.878 993 Q CA 0.297 56.142 55.803 0.069 0.000 0.935 993 Q CB 0.560 29.319 28.738 0.035 0.000 1.099 993 Q HN 0.536 nan 8.270 nan 0.000 0.527 994 N N -0.336 118.409 118.700 0.075 0.000 2.519 994 N HA 0.143 4.884 4.740 0.001 0.000 0.291 994 N C 0.052 175.577 175.510 0.024 0.000 1.107 994 N CA 0.064 53.144 53.050 0.050 0.000 0.904 994 N CB 1.029 39.546 38.487 0.049 0.000 1.500 994 N HN 0.001 nan 8.380 nan 0.000 0.510 995 M N 0.939 120.508 119.600 -0.053 0.000 2.108 995 M HA -0.132 4.349 4.480 0.001 0.000 0.261 995 M C 1.506 177.817 176.300 0.018 0.000 1.066 995 M CA 1.700 56.951 55.300 -0.082 0.000 1.107 995 M CB -0.432 32.050 32.600 -0.197 0.000 1.356 995 M HN 0.495 nan 8.290 nan 0.000 0.406 996 T N 0.263 114.819 114.554 0.003 0.000 2.674 996 T HA -0.158 4.192 4.350 0.001 0.000 0.265 996 T C 1.640 176.346 174.700 0.010 0.000 1.039 996 T CA 1.477 63.577 62.100 -0.000 0.000 1.150 996 T CB -0.347 68.527 68.868 0.010 0.000 0.864 996 T HN 0.456 nan 8.240 nan 0.000 0.427 997 E N 0.141 120.362 120.200 0.034 0.000 2.097 997 E HA -0.161 4.190 4.350 0.001 0.000 0.196 997 E C 1.908 178.535 176.600 0.045 0.000 1.000 997 E CA 1.190 57.612 56.400 0.037 0.000 0.804 997 E CB -0.309 29.426 29.700 0.058 0.000 0.740 997 E HN 0.460 nan 8.360 nan 0.000 0.454 998 F N 2.074 121.976 119.950 -0.079 0.000 2.069 998 F HA -0.222 4.305 4.527 0.001 0.000 0.298 998 F C 1.961 177.671 175.800 -0.150 0.000 1.113 998 F CA 1.700 59.626 58.000 -0.122 0.000 1.214 998 F CB -0.048 38.853 39.000 -0.166 0.000 0.978 998 F HN -0.191 nan 8.300 nan 0.000 0.474 999 K N -0.023 120.239 120.400 -0.231 0.000 2.057 999 K HA -0.151 4.169 4.320 0.001 0.000 0.207 999 K C 2.213 178.651 176.600 -0.271 0.000 1.049 999 K CA 1.621 57.709 56.287 -0.331 0.000 0.931 999 K CB -0.330 32.081 32.500 -0.147 0.000 0.714 999 K HN 0.266 nan 8.250 nan 0.000 0.440 1000 R N 0.183 120.586 120.500 -0.162 0.000 2.105 1000 R HA -0.101 4.239 4.340 0.001 0.000 0.239 1000 R C 2.200 178.418 176.300 -0.137 0.000 1.135 1000 R CA 1.327 57.356 56.100 -0.119 0.000 0.967 1000 R CB -0.387 29.874 30.300 -0.065 0.000 0.861 1000 R HN 0.284 nan 8.270 nan 0.000 0.442 1001 G N 0.144 108.844 108.800 -0.166 0.000 3.124 1001 G HA2 0.130 4.091 3.960 0.001 0.000 0.212 1001 G HA3 0.130 4.091 3.960 0.001 0.000 0.212 1001 G C 0.250 175.030 174.900 -0.200 0.000 1.181 1001 G CA 0.016 45.030 45.100 -0.143 0.000 0.803 1001 G HN 0.005 nan 8.290 nan 0.000 0.529 1002 L N 0.121 121.175 121.223 -0.281 0.000 2.350 1002 L HA 0.476 4.816 4.340 0.001 0.000 0.260 1002 L C -2.149 174.584 176.870 -0.228 0.000 1.015 1002 L CA -2.180 52.483 54.840 -0.295 0.000 0.821 1002 L CB 2.870 44.631 42.059 -0.496 0.000 1.370 1002 L HN -0.117 nan 8.230 nan 0.000 0.416 1003 P HA 0.397 nan 4.420 nan 0.000 0.279 1003 P C -1.422 175.763 177.300 -0.191 0.000 1.276 1003 P CA -0.493 62.498 63.100 -0.182 0.000 0.801 1003 P CB 1.285 32.873 31.700 -0.188 0.000 1.127 1004 L N 0.128 121.268 121.223 -0.139 0.000 2.346 1004 L HA 0.434 4.774 4.340 0.001 0.000 0.274 1004 L C 0.577 177.416 176.870 -0.052 0.000 1.007 1004 L CA -1.027 53.773 54.840 -0.067 0.000 0.818 1004 L CB 0.968 43.021 42.059 -0.010 0.000 1.284 1004 L HN 0.251 nan 8.230 nan 0.000 0.424 1005 F N 3.005 122.935 119.950 -0.033 0.000 2.485 1005 F HA 0.183 4.711 4.527 0.001 0.000 0.327 1005 F C -1.462 174.331 175.800 -0.012 0.000 1.203 1005 F CA -0.559 57.428 58.000 -0.022 0.000 1.295 1005 F CB 0.291 39.285 39.000 -0.009 0.000 1.191 1005 F HN 0.296 nan 8.300 nan 0.000 0.588 1006 P HA 0.170 nan 4.420 nan 0.000 0.282 1006 P C -1.163 176.198 177.300 0.102 0.000 1.287 1006 P CA -0.388 62.781 63.100 0.114 0.000 0.792 1006 P CB 0.892 32.641 31.700 0.083 0.000 1.163 1007 L N 0.136 121.386 121.223 0.046 0.000 2.357 1007 L HA 0.268 4.608 4.340 0.001 0.000 0.273 1007 L C 0.615 177.483 176.870 -0.003 0.000 1.080 1007 L CA -0.807 54.041 54.840 0.014 0.000 0.803 1007 L CB 0.637 42.689 42.059 -0.013 0.000 1.174 1007 L HN 0.108 nan 8.230 nan 0.000 0.443 1008 V N 2.526 122.424 119.914 -0.027 0.000 2.872 1008 V HA 0.030 4.151 4.120 0.001 0.000 0.307 1008 V C 0.782 176.854 176.094 -0.036 0.000 1.072 1008 V CA -0.330 61.947 62.300 -0.039 0.000 1.148 1008 V CB 0.540 32.323 31.823 -0.067 0.000 0.954 1008 V HN 0.643 nan 8.190 nan 0.000 0.490 1009 K N 4.625 125.006 120.400 -0.032 0.000 2.249 1009 K HA 0.337 4.657 4.320 0.001 0.000 0.280 1009 K C -2.374 174.219 176.600 -0.013 0.000 1.033 1009 K CA -1.430 54.842 56.287 -0.024 0.000 0.946 1009 K CB 0.859 33.340 32.500 -0.032 0.000 1.005 1009 K HN 0.450 nan 8.250 nan 0.000 0.469 1010 P HA -0.008 nan 4.420 nan 0.000 0.275 1010 P C -1.167 176.190 177.300 0.094 0.000 1.227 1010 P CA -0.181 62.989 63.100 0.116 0.000 0.781 1010 P CB 0.468 32.289 31.700 0.201 0.000 0.906 1011 H N 3.214 122.304 119.070 0.033 0.000 3.004 1011 H HA 0.241 4.797 4.556 0.001 0.000 0.267 1011 H C 0.258 175.582 175.328 -0.007 0.000 1.165 1011 H CA -0.277 55.756 56.048 -0.024 0.000 1.450 1011 H CB -0.649 29.056 29.762 -0.094 0.000 1.488 1011 H HN 0.326 nan 8.280 nan 0.000 0.478 1012 I N 4.167 124.780 120.570 0.070 0.000 2.919 1012 I HA -0.119 4.051 4.170 0.001 0.000 0.299 1012 I C 0.342 176.555 176.117 0.160 0.000 1.221 1012 I CA 0.561 61.904 61.300 0.071 0.000 1.424 1012 I CB -0.499 37.504 38.000 0.005 0.000 1.358 1012 I HN 0.696 nan 8.210 nan 0.000 0.551 1013 N N 6.174 124.959 118.700 0.141 0.000 2.800 1013 N HA 0.531 5.271 4.740 0.001 0.000 0.240 1013 N C -0.327 175.273 175.510 0.149 0.000 1.096 1013 N CA 0.255 53.433 53.050 0.215 0.000 0.877 1013 N CB 1.178 39.898 38.487 0.389 0.000 1.138 1013 N HN 0.859 nan 8.380 nan 0.000 0.509 1014 F N 1.528 121.536 119.950 0.097 0.000 2.608 1014 F HA 0.521 5.048 4.527 0.001 0.000 0.380 1014 F C 0.838 176.659 175.800 0.035 0.000 1.083 1014 F CA -0.323 57.704 58.000 0.045 0.000 1.266 1014 F CB -0.169 38.854 39.000 0.039 0.000 1.076 1014 F HN 0.498 nan 8.300 nan 0.000 0.574 1015 M N 2.245 121.836 119.600 -0.015 0.000 3.043 1015 M HA 0.803 5.284 4.480 0.001 0.000 0.264 1015 M C -0.145 176.113 176.300 -0.071 0.000 0.969 1015 M CA -0.682 54.598 55.300 -0.034 0.000 0.785 1015 M CB 0.195 32.769 32.600 -0.043 0.000 1.634 1015 M HN 2.795 nan 8.290 nan 0.000 0.560 1016 A N 0.000 122.784 122.820 -0.060 0.000 2.254 1016 A HA 0.000 4.320 4.320 0.001 0.000 0.244 1016 A CA 0.000 51.998 52.037 -0.066 0.000 0.836 1016 A CB 0.000 18.972 19.000 -0.047 0.000 0.831 1016 A HN 0.000 nan 8.150 nan 0.000 0.486