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 2vo5_1_B DATA FIRST_RESID 27 DATA SEQUENCE GNDTSEVMLL DTGWEFSQSG TEKWMPATVP GTVHQDLISH ELLPNPFYGM DATA SEQUENCE NEKKIQWVEN EDWEYRTSFI VSEEQLNRDG IQLIFEGLDT YADVYLNGSL DATA SEQUENCE LLKADNMFVG YTLPVKSVLR KGENHLYIYF HSPIRQTLPQ YASNGFNYPA DATA SEQUENCE DNDHHEKHLS VFSRKAPYSY GWDWGIRMVT SGVWRPVTLR FYDIATISDY DATA SEQUENCE YVRQLSLTDE NARLSNELIV NQIVPQKIPA EVRVNVSLNG TTVTEVKQQV DATA SEQUENCE TLQPGINHIT LPAEVTNPVR WMPNGWGTPT LYDFSAQIAC GDRIVAEQSH DATA SEQUENCE RIGLRTIRVV NEKDKDGESF YFEVNGIPMF AKGANYIPQD ALLPNVTTER DATA SEQUENCE YQTLFRDMKE ANMNMVRIWG GGTYENNLFY DLADENGILV WQDFMFACTP DATA SEQUENCE YPSDPTFLKR VEAEAVYNIR RLRNHASLAM WCGNNEILEA LKYWGFEKKF DATA SEQUENCE TPEVYQGLMH GYDKLFRELL PSTVKEFDSD RFYVHSSPYL ANWGRPESWG DATA SEQUENCE TGDSHNWGVW YGKKPFESLD TDLPRFMSEF GFQSFPEMKT IAAFAAPEDY DATA SEQUENCE QIESEVMNAH QKSSIGNSLI RTYMERDYII PESFEDFVYV GLVLQGQGMR DATA SEQUENCE HGLEAHRRNR PYCMGTLYWQ LNDSWPVVSW SSIDYYGNWK ALHYQAKRAF DATA SEQUENCE APVLINPIQQ NDSLSVYLIS DRLDTMEQMT LEMKVVDFDG KTLGKKIQVH DATA SEQUENCE SLEVPANTSK CVYRAKLDGW LTPEDCRRSF LKLILKDKSG HQVAESVHFF DATA SEQUENCE RKTKDLQLPP TSVSYQMKQT DGKCELTLFS SMLAKDIFIE TPLQGARYSD DATA SEQUENCE NFFDLLPGER KKVIITSPRI KKGEELPVNI KHIRETYKEH H 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 27 G HA2 0.000 nan 3.960 nan 0.000 0.244 27 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 27 G C 0.000 174.897 174.900 -0.004 0.000 0.946 27 G CA 0.000 45.090 45.100 -0.017 0.000 0.502 28 N N 2.126 120.824 118.700 -0.004 0.000 2.555 28 N HA 0.491 5.231 4.740 -0.000 0.000 0.244 28 N C -0.935 174.575 175.510 0.000 0.000 1.114 28 N CA -0.184 52.867 53.050 0.002 0.000 0.963 28 N CB 1.171 39.660 38.487 0.003 0.000 1.276 28 N HN 0.704 nan 8.380 nan 0.000 0.510 29 D N -2.221 118.183 120.400 0.008 0.000 2.812 29 D HA 0.225 4.865 4.640 -0.000 0.000 0.318 29 D C 0.606 176.923 176.300 0.028 0.000 1.234 29 D CA -0.776 53.231 54.000 0.012 0.000 0.989 29 D CB -0.089 40.715 40.800 0.007 0.000 1.442 29 D HN 0.133 nan 8.370 nan 0.000 0.537 30 T N -2.782 111.795 114.554 0.039 0.000 3.113 30 T HA 0.133 4.483 4.350 -0.000 0.000 0.256 30 T C 0.826 175.572 174.700 0.077 0.000 1.131 30 T CA 0.378 62.507 62.100 0.049 0.000 1.074 30 T CB -0.810 68.085 68.868 0.044 0.000 0.944 30 T HN 0.570 nan 8.240 nan 0.000 0.516 31 S N 0.581 116.340 115.700 0.098 0.000 2.579 31 S HA 0.255 4.725 4.470 -0.000 0.000 0.275 31 S C -0.174 174.505 174.600 0.130 0.000 1.345 31 S CA -0.853 57.436 58.200 0.148 0.000 1.031 31 S CB 1.090 64.381 63.200 0.153 0.000 0.892 31 S HN 0.627 nan 8.310 nan 0.000 0.529 32 E N 0.674 120.988 120.200 0.190 0.000 2.212 32 E HA 0.616 4.966 4.350 -0.000 0.000 0.270 32 E C -1.605 175.144 176.600 0.248 0.000 0.956 32 E CA -1.025 55.480 56.400 0.175 0.000 0.825 32 E CB 1.655 31.429 29.700 0.122 0.000 1.167 32 E HN 0.567 nan 8.360 nan 0.000 0.400 33 V N 4.171 124.192 119.914 0.179 0.000 2.623 33 V HA 0.309 4.429 4.120 -0.000 0.000 0.304 33 V C -0.418 175.761 176.094 0.143 0.000 1.054 33 V CA -0.692 61.702 62.300 0.156 0.000 0.882 33 V CB 1.640 33.506 31.823 0.072 0.000 1.002 33 V HN 0.783 nan 8.190 nan 0.000 0.424 34 M N 5.709 125.413 119.600 0.174 0.000 2.129 34 M HA 0.587 5.067 4.480 -0.000 0.000 0.348 34 M C -1.421 174.890 176.300 0.019 0.000 1.116 34 M CA -0.501 54.866 55.300 0.112 0.000 1.022 34 M CB 1.044 33.762 32.600 0.196 0.000 1.599 34 M HN 0.558 nan 8.290 nan 0.000 0.449 35 L N 6.154 127.390 121.223 0.022 0.000 2.292 35 L HA 0.368 4.708 4.340 -0.000 0.000 0.284 35 L C -0.669 176.220 176.870 0.031 0.000 1.065 35 L CA -0.464 54.385 54.840 0.016 0.000 0.806 35 L CB 1.115 43.197 42.059 0.039 0.000 1.175 35 L HN 0.724 nan 8.230 nan 0.000 0.431 36 L N 4.129 125.384 121.223 0.053 0.000 2.494 36 L HA 0.215 4.555 4.340 -0.000 0.000 0.251 36 L C -0.202 176.927 176.870 0.433 0.000 1.119 36 L CA -0.180 54.746 54.840 0.144 0.000 1.026 36 L CB 0.185 42.273 42.059 0.048 0.000 1.370 36 L HN 0.682 nan 8.230 nan 0.000 0.426 37 D N -1.363 119.236 120.400 0.332 0.000 2.500 37 D HA 0.063 4.703 4.640 -0.000 0.000 0.217 37 D C 0.371 176.895 176.300 0.373 0.000 1.159 37 D CA -0.010 54.191 54.000 0.334 0.000 0.828 37 D CB 0.575 41.476 40.800 0.169 0.000 1.039 37 D HN 0.296 nan 8.370 nan 0.000 0.512 38 T N -4.378 110.389 114.554 0.355 0.000 2.901 38 T HA 0.568 4.918 4.350 -0.000 0.000 0.293 38 T C 0.988 175.814 174.700 0.211 0.000 1.084 38 T CA -0.432 61.841 62.100 0.288 0.000 1.008 38 T CB 1.777 70.748 68.868 0.172 0.000 1.170 38 T HN 0.339 nan 8.240 nan 0.000 0.509 39 G N -0.346 108.576 108.800 0.204 0.000 2.159 39 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.256 39 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.256 39 G C -0.168 174.805 174.900 0.121 0.000 0.977 39 G CA -0.276 44.893 45.100 0.114 0.000 0.652 39 G HN 0.781 nan 8.290 nan 0.000 0.531 40 W N 0.935 122.352 121.300 0.195 0.000 2.218 40 W HA 0.622 5.282 4.660 -0.000 0.000 0.326 40 W C 0.843 177.537 176.519 0.292 0.000 1.276 40 W CA -0.181 57.319 57.345 0.258 0.000 1.210 40 W CB 0.594 30.246 29.460 0.319 0.000 1.143 40 W HN 0.222 nan 8.180 nan 0.000 0.563 41 E N 1.613 122.164 120.200 0.585 0.000 2.410 41 E HA 0.641 4.991 4.350 -0.000 0.000 0.269 41 E C -1.296 175.686 176.600 0.638 0.000 0.937 41 E CA -1.169 55.569 56.400 0.563 0.000 0.793 41 E CB 2.349 32.311 29.700 0.438 0.000 1.314 41 E HN 0.312 nan 8.360 nan 0.000 0.447 42 F N -1.468 118.614 119.950 0.220 0.000 2.643 42 F HA 0.816 5.343 4.527 -0.000 0.000 0.314 42 F C -0.991 174.584 175.800 -0.374 0.000 1.096 42 F CA -0.786 57.043 58.000 -0.285 0.000 0.953 42 F CB 2.074 40.499 39.000 -0.959 0.000 1.345 42 F HN 0.328 nan 8.300 nan 0.000 0.468 43 S N 1.196 116.438 115.700 -0.763 0.000 2.546 43 S HA 0.239 4.709 4.470 -0.000 0.000 0.272 43 S C -1.635 172.727 174.600 -0.396 0.000 1.140 43 S CA -0.670 56.958 58.200 -0.954 0.000 0.920 43 S CB 1.676 63.767 63.200 -1.848 0.000 1.083 43 S HN 1.016 nan 8.310 nan 0.000 0.476 44 Q N 3.190 122.778 119.800 -0.353 0.000 2.262 44 Q HA 0.232 4.572 4.340 -0.000 0.000 0.272 44 Q C -0.390 175.277 176.000 -0.554 0.000 1.076 44 Q CA -0.002 55.369 55.803 -0.720 0.000 0.905 44 Q CB 0.352 28.708 28.738 -0.637 0.000 1.182 44 Q HN 0.712 nan 8.270 nan 0.000 0.390 45 S N 2.853 118.230 115.700 -0.540 0.000 2.558 45 S HA 0.241 4.711 4.470 -0.000 0.000 0.291 45 S C 1.097 175.568 174.600 -0.216 0.000 1.306 45 S CA 0.337 58.359 58.200 -0.297 0.000 1.056 45 S CB 0.786 63.864 63.200 -0.203 0.000 0.836 45 S HN 1.029 nan 8.310 nan 0.000 0.504 46 G N 1.770 110.500 108.800 -0.117 0.000 2.317 46 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.227 46 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.227 46 G C 1.070 175.908 174.900 -0.104 0.000 1.042 46 G CA 0.912 45.960 45.100 -0.087 0.000 0.623 46 G HN 1.028 nan 8.290 nan 0.000 0.509 47 T N -1.940 112.513 114.554 -0.168 0.000 3.014 47 T HA 0.346 4.696 4.350 -0.000 0.000 0.263 47 T C 1.225 175.845 174.700 -0.132 0.000 1.078 47 T CA 1.601 63.606 62.100 -0.159 0.000 1.135 47 T CB 0.077 68.824 68.868 -0.201 0.000 0.895 47 T HN 0.936 nan 8.240 nan 0.000 0.480 48 E N -0.167 119.945 120.200 -0.147 0.000 3.547 48 E HA -0.182 4.168 4.350 -0.000 0.000 0.300 48 E C 0.069 176.637 176.600 -0.052 0.000 0.857 48 E CA 1.099 57.476 56.400 -0.037 0.000 1.039 48 E CB -1.169 28.561 29.700 0.050 0.000 1.524 48 E HN 0.722 nan 8.360 nan 0.000 0.457 49 K N 0.338 120.593 120.400 -0.241 0.000 2.211 49 K HA 0.380 4.700 4.320 -0.000 0.000 0.275 49 K C -1.115 175.209 176.600 -0.461 0.000 1.024 49 K CA -0.565 55.603 56.287 -0.199 0.000 0.887 49 K CB 0.580 32.976 32.500 -0.174 0.000 1.084 49 K HN -0.014 nan 8.250 nan 0.000 0.463 50 W N 4.472 125.680 121.300 -0.154 0.000 2.666 50 W HA 0.507 5.167 4.660 0.000 0.000 0.334 50 W C -0.361 176.028 176.519 -0.217 0.000 1.051 50 W CA -0.668 56.561 57.345 -0.193 0.000 1.224 50 W CB 1.687 31.094 29.460 -0.088 0.000 1.405 50 W HN 0.382 nan 8.180 nan 0.000 0.513 51 M N 2.661 122.228 119.600 -0.055 0.000 2.569 51 M HA 0.379 4.859 4.480 -0.000 0.000 0.279 51 M C -2.531 173.950 176.300 0.301 0.000 1.253 51 M CA -1.905 53.380 55.300 -0.024 0.000 0.867 51 M CB 2.578 34.963 32.600 -0.359 0.000 1.727 51 M HN -0.013 nan 8.290 nan 0.000 0.467 52 P HA 0.192 nan 4.420 nan 0.000 0.265 52 P C -1.521 176.167 177.300 0.646 0.000 1.187 52 P CA 0.055 63.446 63.100 0.484 0.000 0.766 52 P CB 0.436 32.381 31.700 0.408 0.000 0.820 53 A N 2.526 125.659 122.820 0.522 0.000 2.423 53 A HA 0.769 5.089 4.320 -0.000 0.000 0.304 53 A C -0.635 177.117 177.584 0.280 0.000 1.104 53 A CA -0.381 51.890 52.037 0.390 0.000 0.757 53 A CB 1.105 20.420 19.000 0.524 0.000 1.313 53 A HN 0.406 nan 8.150 nan 0.000 0.423 54 T N 0.798 115.427 114.554 0.126 0.000 2.807 54 T HA 0.606 4.956 4.350 -0.000 0.000 0.279 54 T C -0.939 173.732 174.700 -0.048 0.000 0.993 54 T CA -0.332 61.809 62.100 0.069 0.000 0.970 54 T CB 1.217 70.105 68.868 0.035 0.000 0.950 54 T HN 0.609 nan 8.240 nan 0.000 0.441 55 V N 5.088 124.946 119.914 -0.093 0.000 2.668 55 V HA 0.389 4.509 4.120 -0.000 0.000 0.304 55 V C -2.449 173.572 176.094 -0.121 0.000 1.071 55 V CA -2.006 60.124 62.300 -0.284 0.000 0.894 55 V CB 1.998 33.267 31.823 -0.923 0.000 1.008 55 V HN 0.688 nan 8.190 nan 0.000 0.425 56 P HA 0.504 nan 4.420 nan 0.000 0.268 56 P C 0.160 177.399 177.300 -0.102 0.000 1.205 56 P CA 0.426 63.452 63.100 -0.123 0.000 0.771 56 P CB 1.008 32.673 31.700 -0.058 0.000 0.858 57 G N 0.622 109.333 108.800 -0.148 0.000 2.634 57 G HA2 0.684 4.644 3.960 -0.000 0.000 0.309 57 G HA3 0.684 4.644 3.960 -0.000 0.000 0.309 57 G C -1.445 173.345 174.900 -0.183 0.000 1.299 57 G CA -0.496 44.525 45.100 -0.133 0.000 0.798 57 G HN 0.595 nan 8.290 nan 0.000 0.490 58 T N -2.778 111.654 114.554 -0.204 0.000 2.896 58 T HA 0.535 4.885 4.350 -0.000 0.000 0.297 58 T C 0.895 175.403 174.700 -0.319 0.000 1.108 58 T CA -0.141 61.806 62.100 -0.255 0.000 1.004 58 T CB 1.598 70.367 68.868 -0.165 0.000 1.159 58 T HN 0.581 nan 8.240 nan 0.000 0.499 59 V N 0.937 120.611 119.914 -0.401 0.000 2.332 59 V HA -0.183 3.937 4.120 -0.000 0.000 0.248 59 V C 2.436 178.132 176.094 -0.663 0.000 1.055 59 V CA 2.108 64.036 62.300 -0.620 0.000 1.038 59 V CB -1.148 30.081 31.823 -0.989 0.000 0.651 59 V HN 0.968 nan 8.190 nan 0.000 0.450 60 H N -0.623 118.138 119.070 -0.514 0.000 2.321 60 H HA -0.189 4.366 4.556 -0.000 0.000 0.300 60 H C 2.297 177.444 175.328 -0.303 0.000 1.087 60 H CA 2.010 57.816 56.048 -0.402 0.000 1.319 60 H CB -0.216 29.338 29.762 -0.346 0.000 1.379 60 H HN 0.366 nan 8.280 nan 0.000 0.501 61 Q N 0.799 120.512 119.800 -0.146 0.000 2.084 61 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 61 Q C 1.454 177.332 176.000 -0.204 0.000 0.978 61 Q CA 1.782 57.498 55.803 -0.144 0.000 0.844 61 Q CB -0.222 28.453 28.738 -0.105 0.000 0.898 61 Q HN 0.392 nan 8.270 nan 0.000 0.426 62 D N -0.144 120.055 120.400 -0.336 0.000 2.116 62 D HA -0.182 4.458 4.640 -0.000 0.000 0.193 62 D C 1.911 178.073 176.300 -0.230 0.000 0.998 62 D CA 1.322 55.034 54.000 -0.480 0.000 0.836 62 D CB -0.261 39.869 40.800 -1.118 0.000 0.951 62 D HN 0.308 nan 8.370 nan 0.000 0.449 63 L N 0.375 121.492 121.223 -0.176 0.000 2.042 63 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 63 L C 2.584 179.504 176.870 0.083 0.000 1.076 63 L CA 0.777 55.680 54.840 0.105 0.000 0.749 63 L CB -0.330 41.708 42.059 -0.035 0.000 0.893 63 L HN 0.043 nan 8.230 nan 0.000 0.432 64 I N -0.282 120.273 120.570 -0.024 0.000 2.286 64 I HA -0.283 3.887 4.170 -0.000 0.000 0.248 64 I C 2.716 178.819 176.117 -0.023 0.000 1.115 64 I CA 1.501 62.794 61.300 -0.012 0.000 1.392 64 I CB -0.241 37.729 38.000 -0.050 0.000 1.065 64 I HN 0.340 nan 8.210 nan 0.000 0.418 65 S N -0.413 115.226 115.700 -0.102 0.000 2.469 65 S HA -0.178 4.292 4.470 -0.000 0.000 0.238 65 S C 1.585 176.038 174.600 -0.246 0.000 0.998 65 S CA 0.997 59.081 58.200 -0.192 0.000 0.957 65 S CB -0.411 62.615 63.200 -0.289 0.000 0.764 65 S HN 0.490 nan 8.310 nan 0.000 0.514 66 H N 0.722 119.860 119.070 0.113 0.000 2.672 66 H HA 0.357 4.913 4.556 -0.000 0.000 0.277 66 H C -0.014 175.378 175.328 0.108 0.000 1.074 66 H CA 0.302 56.427 56.048 0.128 0.000 1.173 66 H CB -0.052 29.819 29.762 0.180 0.000 1.558 66 H HN 0.562 nan 8.280 nan 0.000 0.539 67 E N 0.601 120.900 120.200 0.164 0.000 2.476 67 E HA -0.192 4.158 4.350 -0.000 0.000 0.251 67 E C 0.309 177.005 176.600 0.159 0.000 1.130 67 E CA 0.119 56.598 56.400 0.132 0.000 0.736 67 E CB -1.484 28.280 29.700 0.106 0.000 1.298 67 E HN 0.431 nan 8.360 nan 0.000 0.400 68 L N -0.236 121.108 121.223 0.203 0.000 2.607 68 L HA 0.286 4.626 4.340 -0.000 0.000 0.228 68 L C 0.595 177.634 176.870 0.280 0.000 1.123 68 L CA 0.248 55.233 54.840 0.243 0.000 0.890 68 L CB 0.278 42.518 42.059 0.302 0.000 1.103 68 L HN 0.137 nan 8.230 nan 0.000 0.468 69 L N 0.361 121.702 121.223 0.196 0.000 2.422 69 L HA 0.500 4.840 4.340 -0.000 0.000 0.264 69 L C -2.299 174.647 176.870 0.127 0.000 0.984 69 L CA -1.677 53.269 54.840 0.177 0.000 0.819 69 L CB 3.008 45.116 42.059 0.081 0.000 1.330 69 L HN -0.179 nan 8.230 nan 0.000 0.410 70 P HA 0.059 nan 4.420 nan 0.000 0.274 70 P C -0.830 176.524 177.300 0.089 0.000 1.256 70 P CA -0.528 62.640 63.100 0.114 0.000 0.795 70 P CB 0.417 32.202 31.700 0.141 0.000 1.038 71 N N 1.916 120.673 118.700 0.095 0.000 2.417 71 N HA -0.018 4.722 4.740 -0.000 0.000 0.272 71 N C -1.414 174.176 175.510 0.134 0.000 1.304 71 N CA -1.441 51.663 53.050 0.090 0.000 0.906 71 N CB -0.094 38.490 38.487 0.161 0.000 1.135 71 N HN 0.197 nan 8.380 nan 0.000 0.483 72 P HA -0.035 nan 4.420 nan 0.000 0.229 72 P C 0.563 178.060 177.300 0.328 0.000 1.160 72 P CA 0.804 63.936 63.100 0.053 0.000 0.777 72 P CB 0.046 31.662 31.700 -0.140 0.000 0.814 73 F N -2.084 118.048 119.950 0.303 0.000 2.754 73 F HA 0.187 4.714 4.527 -0.000 0.000 0.297 73 F C 1.236 177.346 175.800 0.516 0.000 1.122 73 F CA -1.312 56.949 58.000 0.435 0.000 1.400 73 F CB -1.329 37.861 39.000 0.317 0.000 1.117 73 F HN -0.130 nan 8.300 nan 0.000 0.587 74 Y N 0.706 121.306 120.300 0.500 0.000 2.304 74 Y HA 0.463 5.012 4.550 -0.000 0.000 0.328 74 Y C 1.231 177.379 175.900 0.412 0.000 1.123 74 Y CA 0.293 58.643 58.100 0.417 0.000 1.218 74 Y CB 0.463 39.091 38.460 0.279 0.000 1.207 74 Y HN 0.300 nan 8.280 nan 0.000 0.495 75 G N 4.600 113.245 108.800 -0.258 0.000 2.622 75 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.307 75 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.307 75 G C 0.440 175.517 174.900 0.295 0.000 1.226 75 G CA 0.678 45.791 45.100 0.022 0.000 0.997 75 G HN 0.590 nan 8.290 nan 0.000 0.551 76 M N 1.917 121.668 119.600 0.253 0.000 2.475 76 M HA 0.216 4.696 4.480 -0.000 0.000 0.261 76 M C 1.562 177.981 176.300 0.198 0.000 1.177 76 M CA -0.079 55.344 55.300 0.206 0.000 0.979 76 M CB -0.354 32.341 32.600 0.158 0.000 1.482 76 M HN 0.416 nan 8.290 nan 0.000 0.484 77 N N 1.210 120.060 118.700 0.251 0.000 2.573 77 N HA -0.148 4.592 4.740 -0.000 0.000 0.187 77 N C 1.520 177.133 175.510 0.171 0.000 1.107 77 N CA 0.585 53.771 53.050 0.227 0.000 0.918 77 N CB -0.097 38.556 38.487 0.276 0.000 0.966 77 N HN 0.534 nan 8.380 nan 0.000 0.448 78 E N 0.908 121.189 120.200 0.136 0.000 2.085 78 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 78 E C 1.757 178.391 176.600 0.056 0.000 0.994 78 E CA 1.083 57.516 56.400 0.055 0.000 0.801 78 E CB 0.146 29.837 29.700 -0.016 0.000 0.743 78 E HN 0.021 nan 8.360 nan 0.000 0.453 79 K N 0.559 121.007 120.400 0.080 0.000 2.148 79 K HA -0.073 4.247 4.320 -0.000 0.000 0.204 79 K C 1.825 178.507 176.600 0.136 0.000 1.050 79 K CA 1.458 57.799 56.287 0.091 0.000 0.942 79 K CB -0.215 32.335 32.500 0.084 0.000 0.724 79 K HN 0.248 nan 8.250 nan 0.000 0.446 80 K N 0.353 120.848 120.400 0.157 0.000 2.439 80 K HA 0.075 4.395 4.320 -0.000 0.000 0.197 80 K C 1.786 178.558 176.600 0.286 0.000 1.041 80 K CA 1.365 57.783 56.287 0.219 0.000 0.970 80 K CB -0.109 32.511 32.500 0.200 0.000 0.773 80 K HN 0.583 nan 8.250 nan 0.000 0.479 81 I N -3.016 117.649 120.570 0.159 0.000 4.082 81 I HA 0.062 4.232 4.170 -0.000 0.000 0.337 81 I C 1.230 177.272 176.117 -0.124 0.000 1.352 81 I CA -0.142 61.166 61.300 0.013 0.000 1.097 81 I CB 0.311 38.318 38.000 0.012 0.000 1.048 81 I HN -0.161 nan 8.210 nan 0.000 0.393 82 Q N 1.824 121.642 119.800 0.031 0.000 2.230 82 Q HA -0.114 4.226 4.340 -0.000 0.000 0.202 82 Q C 1.941 177.981 176.000 0.067 0.000 0.963 82 Q CA 1.764 57.592 55.803 0.041 0.000 0.866 82 Q CB -0.463 28.332 28.738 0.095 0.000 0.931 82 Q HN 0.910 nan 8.270 nan 0.000 0.452 83 W N 0.361 121.723 121.300 0.104 0.000 2.325 83 W HA -0.149 4.511 4.660 0.000 0.000 0.299 83 W C 1.341 177.952 176.519 0.154 0.000 1.215 83 W CA 0.840 58.251 57.345 0.110 0.000 1.244 83 W CB -1.081 28.434 29.460 0.093 0.000 1.140 83 W HN -0.120 nan 8.180 nan 0.000 0.523 84 V N 2.793 122.308 119.914 -0.665 0.000 2.453 84 V HA -0.350 3.770 4.120 -0.000 0.000 0.252 84 V C 2.689 178.815 176.094 0.054 0.000 1.068 84 V CA 2.700 64.681 62.300 -0.532 0.000 1.070 84 V CB -1.210 29.974 31.823 -1.064 0.000 0.664 84 V HN 0.387 nan 8.190 nan 0.000 0.461 85 E N 0.089 120.314 120.200 0.040 0.000 2.418 85 E HA -0.179 4.171 4.350 -0.000 0.000 0.197 85 E C 1.473 178.169 176.600 0.159 0.000 1.026 85 E CA 1.078 57.540 56.400 0.103 0.000 0.862 85 E CB -0.271 29.452 29.700 0.039 0.000 0.799 85 E HN 0.590 nan 8.360 nan 0.000 0.518 86 N N 0.679 119.492 118.700 0.188 0.000 2.353 86 N HA 0.030 4.770 4.740 -0.000 0.000 0.185 86 N C -0.176 175.423 175.510 0.148 0.000 1.098 86 N CA 0.395 53.550 53.050 0.174 0.000 0.872 86 N CB 0.366 38.963 38.487 0.182 0.000 0.970 86 N HN 0.217 nan 8.380 nan 0.000 0.467 87 E N 0.857 121.154 120.200 0.162 0.000 2.250 87 E HA 0.239 4.589 4.350 -0.000 0.000 0.265 87 E C -0.545 175.941 176.600 -0.189 0.000 1.033 87 E CA -0.378 55.974 56.400 -0.079 0.000 0.888 87 E CB 1.039 30.569 29.700 -0.284 0.000 1.151 87 E HN -0.004 nan 8.360 nan 0.000 0.412 88 D N 0.264 120.438 120.400 -0.376 0.000 2.229 88 D HA 0.411 5.051 4.640 -0.000 0.000 0.249 88 D C -0.666 175.182 176.300 -0.753 0.000 1.027 88 D CA -0.098 53.684 54.000 -0.364 0.000 0.923 88 D CB 0.633 41.276 40.800 -0.262 0.000 1.174 88 D HN 0.204 nan 8.370 nan 0.000 0.443 89 W N 0.340 121.556 121.300 -0.140 0.000 2.957 89 W HA 0.379 5.039 4.660 -0.000 0.000 0.336 89 W C -0.063 176.516 176.519 0.100 0.000 1.087 89 W CA -0.756 56.594 57.345 0.008 0.000 1.235 89 W CB 1.446 31.001 29.460 0.159 0.000 1.399 89 W HN 0.071 nan 8.180 nan 0.000 0.480 90 E N 1.644 121.999 120.200 0.258 0.000 2.212 90 E HA 0.534 4.884 4.350 -0.000 0.000 0.268 90 E C -1.555 175.327 176.600 0.469 0.000 0.902 90 E CA -1.026 55.583 56.400 0.348 0.000 0.779 90 E CB 2.238 32.061 29.700 0.205 0.000 1.172 90 E HN 0.384 nan 8.360 nan 0.000 0.409 91 Y N 1.030 121.729 120.300 0.666 0.000 2.512 91 Y HA 0.504 5.054 4.550 -0.000 0.000 0.348 91 Y C -0.187 176.088 175.900 0.624 0.000 0.990 91 Y CA -0.947 57.612 58.100 0.765 0.000 1.033 91 Y CB 2.020 40.938 38.460 0.763 0.000 1.259 91 Y HN 0.449 nan 8.280 nan 0.000 0.461 92 R N 0.423 121.267 120.500 0.573 0.000 2.680 92 R HA 0.833 5.173 4.340 -0.000 0.000 0.269 92 R C -1.942 174.260 176.300 -0.163 0.000 1.026 92 R CA -0.787 55.247 56.100 -0.111 0.000 0.889 92 R CB 2.313 31.957 30.300 -1.094 0.000 1.241 92 R HN 0.627 nan 8.270 nan 0.000 0.463 93 T N 0.149 114.442 114.554 -0.435 0.000 2.843 93 T HA 0.528 4.878 4.350 -0.000 0.000 0.302 93 T C -1.346 173.240 174.700 -0.190 0.000 1.232 93 T CA -0.345 61.462 62.100 -0.488 0.000 1.009 93 T CB 1.738 69.873 68.868 -1.222 0.000 1.254 93 T HN 0.823 nan 8.240 nan 0.000 0.504 94 S N 1.737 117.379 115.700 -0.097 0.000 2.600 94 S HA 0.959 5.429 4.470 -0.000 0.000 0.300 94 S C -1.049 173.590 174.600 0.066 0.000 1.087 94 S CA -0.727 57.438 58.200 -0.058 0.000 0.965 94 S CB 1.309 64.481 63.200 -0.046 0.000 1.089 94 S HN 0.866 nan 8.310 nan 0.000 0.496 95 F N -0.523 119.354 119.950 -0.123 0.000 2.668 95 F HA 0.719 5.245 4.527 -0.000 0.000 0.309 95 F C -1.432 174.333 175.800 -0.058 0.000 1.117 95 F CA -1.540 56.417 58.000 -0.072 0.000 0.951 95 F CB 0.805 39.779 39.000 -0.043 0.000 1.323 95 F HN 0.389 nan 8.300 nan 0.000 0.451 96 I N 3.039 123.702 120.570 0.155 0.000 2.428 96 I HA 0.547 4.717 4.170 -0.000 0.000 0.296 96 I C -0.276 175.926 176.117 0.142 0.000 0.985 96 I CA -1.063 60.268 61.300 0.051 0.000 1.260 96 I CB 1.330 39.349 38.000 0.031 0.000 1.389 96 I HN 0.517 nan 8.210 nan 0.000 0.484 97 V N 4.719 124.676 119.914 0.071 0.000 2.604 97 V HA 0.422 4.542 4.120 -0.000 0.000 0.305 97 V C 0.281 176.382 176.094 0.012 0.000 1.043 97 V CA -0.632 61.730 62.300 0.104 0.000 0.888 97 V CB 2.047 33.990 31.823 0.200 0.000 0.995 97 V HN 0.938 nan 8.190 nan 0.000 0.429 98 S N 2.068 117.743 115.700 -0.042 0.000 2.646 98 S HA 0.374 4.844 4.470 -0.000 0.000 0.276 98 S C 0.869 175.444 174.600 -0.042 0.000 1.222 98 S CA -0.460 57.707 58.200 -0.055 0.000 1.014 98 S CB 1.586 64.733 63.200 -0.089 0.000 0.991 98 S HN 0.766 nan 8.310 nan 0.000 0.533 99 E N 0.874 121.055 120.200 -0.031 0.000 2.114 99 E HA -0.259 4.091 4.350 -0.000 0.000 0.199 99 E C 1.545 178.127 176.600 -0.030 0.000 1.008 99 E CA 2.013 58.400 56.400 -0.022 0.000 0.810 99 E CB -0.110 29.578 29.700 -0.021 0.000 0.739 99 E HN 0.815 nan 8.360 nan 0.000 0.456 100 E N 0.169 120.338 120.200 -0.052 0.000 2.072 100 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 100 E C 2.074 178.627 176.600 -0.079 0.000 0.985 100 E CA 1.088 57.452 56.400 -0.060 0.000 0.801 100 E CB -0.038 29.618 29.700 -0.072 0.000 0.750 100 E HN 0.263 nan 8.360 nan 0.000 0.452 101 Q N -0.019 119.692 119.800 -0.148 0.000 2.124 101 Q HA -0.075 4.265 4.340 -0.000 0.000 0.202 101 Q C 2.076 178.103 176.000 0.046 0.000 0.977 101 Q CA 0.864 56.522 55.803 -0.242 0.000 0.850 101 Q CB -0.057 28.306 28.738 -0.625 0.000 0.901 101 Q HN 0.294 nan 8.270 nan 0.000 0.429 102 L N 0.718 121.972 121.223 0.053 0.000 2.362 102 L HA -0.106 4.234 4.340 -0.000 0.000 0.219 102 L C 0.993 177.893 176.870 0.050 0.000 1.134 102 L CA 0.439 55.331 54.840 0.087 0.000 0.807 102 L CB -0.131 41.963 42.059 0.057 0.000 0.927 102 L HN 0.257 nan 8.230 nan 0.000 0.447 103 N N -0.218 118.496 118.700 0.022 0.000 2.322 103 N HA 0.028 4.768 4.740 -0.000 0.000 0.194 103 N C 0.219 175.729 175.510 -0.000 0.000 1.126 103 N CA 0.145 53.198 53.050 0.006 0.000 0.845 103 N CB 0.182 38.666 38.487 -0.004 0.000 0.976 103 N HN 0.129 nan 8.380 nan 0.000 0.475 104 R N 0.977 121.487 120.500 0.017 0.000 2.641 104 R HA 0.065 4.405 4.340 -0.000 0.000 0.269 104 R C 0.700 176.950 176.300 -0.084 0.000 1.074 104 R CA -0.171 55.921 56.100 -0.014 0.000 1.133 104 R CB 0.444 30.770 30.300 0.044 0.000 1.029 104 R HN 0.059 nan 8.270 nan 0.000 0.488 105 D N 0.409 120.721 120.400 -0.147 0.000 2.178 105 D HA -0.044 4.596 4.640 -0.000 0.000 0.201 105 D C 0.863 176.978 176.300 -0.308 0.000 0.980 105 D CA 1.427 55.318 54.000 -0.182 0.000 0.842 105 D CB 0.130 40.837 40.800 -0.154 0.000 0.948 105 D HN 0.646 nan 8.370 nan 0.000 0.472 106 G N -0.414 108.015 108.800 -0.619 0.000 2.682 106 G HA2 0.625 4.585 3.960 -0.000 0.000 0.300 106 G HA3 0.625 4.585 3.960 -0.000 0.000 0.300 106 G C -1.154 173.379 174.900 -0.611 0.000 1.391 106 G CA -0.574 43.992 45.100 -0.889 0.000 0.990 106 G HN 0.022 nan 8.290 nan 0.000 0.501 107 I N 1.140 121.596 120.570 -0.191 0.000 2.534 107 I HA 0.268 4.438 4.170 -0.000 0.000 0.286 107 I C -0.680 175.411 176.117 -0.043 0.000 1.094 107 I CA -0.556 60.656 61.300 -0.147 0.000 1.055 107 I CB 2.313 40.187 38.000 -0.209 0.000 1.225 107 I HN 0.341 nan 8.210 nan 0.000 0.435 108 Q N 4.913 124.700 119.800 -0.021 0.000 2.282 108 Q HA 0.579 4.919 4.340 -0.000 0.000 0.260 108 Q C -1.134 174.791 176.000 -0.125 0.000 0.964 108 Q CA -0.981 54.811 55.803 -0.019 0.000 0.880 108 Q CB 3.250 31.995 28.738 0.012 0.000 1.286 108 Q HN 0.407 nan 8.270 nan 0.000 0.445 109 L N 3.744 124.915 121.223 -0.086 0.000 2.264 109 L HA 0.468 4.808 4.340 -0.000 0.000 0.289 109 L C -1.368 175.416 176.870 -0.143 0.000 1.044 109 L CA -0.037 54.710 54.840 -0.155 0.000 0.807 109 L CB 0.769 42.770 42.059 -0.096 0.000 1.192 109 L HN 0.556 nan 8.230 nan 0.000 0.425 110 I N 5.772 126.200 120.570 -0.236 0.000 2.362 110 I HA 0.303 4.473 4.170 -0.000 0.000 0.289 110 I C -0.960 175.001 176.117 -0.261 0.000 0.994 110 I CA -0.142 61.074 61.300 -0.140 0.000 1.158 110 I CB 0.967 38.917 38.000 -0.084 0.000 1.315 110 I HN 0.405 nan 8.210 nan 0.000 0.451 111 F N 5.021 125.021 119.950 0.083 0.000 2.332 111 F HA 0.310 4.837 4.527 0.000 0.000 0.368 111 F C 1.394 177.210 175.800 0.028 0.000 1.110 111 F CA -0.391 57.662 58.000 0.089 0.000 1.087 111 F CB 1.022 40.125 39.000 0.172 0.000 1.235 111 F HN 0.511 nan 8.300 nan 0.000 0.470 112 E N 2.121 122.370 120.200 0.082 0.000 2.418 112 E HA 0.136 4.486 4.350 -0.000 0.000 0.197 112 E C 0.721 177.248 176.600 -0.121 0.000 1.026 112 E CA 0.227 56.611 56.400 -0.027 0.000 0.862 112 E CB 0.297 29.948 29.700 -0.080 0.000 0.799 112 E HN 0.736 nan 8.360 nan 0.000 0.518 113 G N 0.689 109.455 108.800 -0.057 0.000 2.378 113 G HA2 0.398 4.358 3.960 -0.000 0.000 0.306 113 G HA3 0.398 4.358 3.960 -0.000 0.000 0.306 113 G C -1.427 173.613 174.900 0.232 0.000 1.413 113 G CA -0.792 44.236 45.100 -0.121 0.000 1.123 113 G HN -0.051 nan 8.290 nan 0.000 0.587 114 L N 2.144 123.634 121.223 0.445 0.000 2.356 114 L HA 0.532 4.872 4.340 -0.000 0.000 0.277 114 L C -1.027 176.064 176.870 0.369 0.000 0.996 114 L CA -0.921 54.176 54.840 0.428 0.000 0.822 114 L CB 2.486 44.676 42.059 0.218 0.000 1.256 114 L HN 0.467 nan 8.230 nan 0.000 0.413 115 D N 1.510 122.069 120.400 0.264 0.000 2.472 115 D HA 0.364 5.003 4.640 -0.000 0.000 0.234 115 D C 0.030 176.357 176.300 0.046 0.000 1.088 115 D CA -0.064 53.901 54.000 -0.058 0.000 0.882 115 D CB 1.337 41.934 40.800 -0.338 0.000 1.037 115 D HN 0.520 nan 8.370 nan 0.000 0.520 116 T N 1.877 116.524 114.554 0.154 0.000 3.545 116 T HA 0.056 4.406 4.350 -0.000 0.000 0.274 116 T C -0.097 174.532 174.700 -0.118 0.000 0.989 116 T CA 0.066 62.112 62.100 -0.091 0.000 1.129 116 T CB -0.076 68.579 68.868 -0.354 0.000 1.165 116 T HN 0.193 nan 8.240 nan 0.000 0.436 117 Y N 2.894 123.339 120.300 0.242 0.000 2.636 117 Y HA 0.667 5.217 4.550 0.000 0.000 0.341 117 Y C 0.309 176.355 175.900 0.243 0.000 1.169 117 Y CA -1.097 57.142 58.100 0.231 0.000 1.498 117 Y CB -0.170 38.447 38.460 0.262 0.000 1.362 117 Y HN 0.206 nan 8.280 nan 0.000 0.494 118 A N 2.326 125.208 122.820 0.104 0.000 2.304 118 A HA 0.520 4.840 4.320 -0.000 0.000 0.314 118 A C -0.879 176.596 177.584 -0.181 0.000 1.187 118 A CA -0.928 50.960 52.037 -0.248 0.000 0.810 118 A CB 0.504 19.145 19.000 -0.599 0.000 1.183 118 A HN 0.444 nan 8.150 nan 0.000 0.487 119 D N 2.311 122.655 120.400 -0.093 0.000 2.313 119 D HA 0.357 4.997 4.640 -0.000 0.000 0.239 119 D C -0.462 175.632 176.300 -0.344 0.000 1.142 119 D CA 0.169 54.056 54.000 -0.187 0.000 0.847 119 D CB 1.673 42.484 40.800 0.018 0.000 1.082 119 D HN 0.150 nan 8.370 nan 0.000 0.480 120 V N 4.096 123.733 119.914 -0.462 0.000 2.333 120 V HA 0.190 4.310 4.120 -0.000 0.000 0.274 120 V C -0.639 175.287 176.094 -0.281 0.000 1.028 120 V CA -0.606 61.527 62.300 -0.278 0.000 0.851 120 V CB -0.087 31.561 31.823 -0.292 0.000 1.000 120 V HN 0.341 nan 8.190 nan 0.000 0.456 121 Y N 5.225 125.623 120.300 0.163 0.000 2.335 121 Y HA 0.686 5.236 4.550 -0.000 0.000 0.338 121 Y C -0.225 175.808 175.900 0.221 0.000 0.977 121 Y CA -0.878 57.321 58.100 0.164 0.000 1.114 121 Y CB 1.831 40.381 38.460 0.150 0.000 1.182 121 Y HN 0.515 nan 8.280 nan 0.000 0.463 122 L N 4.945 126.354 121.223 0.310 0.000 2.372 122 L HA 0.516 4.856 4.340 -0.000 0.000 0.274 122 L C -0.564 176.423 176.870 0.196 0.000 0.988 122 L CA -0.550 54.453 54.840 0.271 0.000 0.833 122 L CB 0.845 43.057 42.059 0.255 0.000 1.236 122 L HN 0.712 nan 8.230 nan 0.000 0.410 123 N N 4.384 123.188 118.700 0.174 0.000 2.725 123 N HA -0.205 4.535 4.740 -0.000 0.000 0.251 123 N C 0.992 176.560 175.510 0.097 0.000 1.031 123 N CA 1.359 54.476 53.050 0.112 0.000 0.720 123 N CB -1.123 37.401 38.487 0.062 0.000 0.930 123 N HN 1.258 nan 8.380 nan 0.000 0.543 124 G N -1.736 107.125 108.800 0.103 0.000 2.179 124 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.260 124 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.260 124 G C 0.041 175.019 174.900 0.130 0.000 0.977 124 G CA 0.783 45.930 45.100 0.078 0.000 0.641 124 G HN 1.055 nan 8.290 nan 0.000 0.533 125 S N -0.304 115.494 115.700 0.163 0.000 2.451 125 S HA 0.675 5.145 4.470 -0.000 0.000 0.301 125 S C -0.084 174.616 174.600 0.166 0.000 1.116 125 S CA -0.625 57.662 58.200 0.145 0.000 1.093 125 S CB 1.276 64.536 63.200 0.101 0.000 1.017 125 S HN 1.215 nan 8.310 nan 0.000 0.482 126 L N 6.892 128.177 121.223 0.102 0.000 2.283 126 L HA 0.405 4.745 4.340 -0.000 0.000 0.287 126 L C 0.491 177.302 176.870 -0.097 0.000 1.073 126 L CA 0.236 55.009 54.840 -0.113 0.000 0.822 126 L CB 0.095 42.077 42.059 -0.128 0.000 1.186 126 L HN 0.875 nan 8.230 nan 0.000 0.436 127 L N 5.016 126.171 121.223 -0.113 0.000 2.270 127 L HA 0.181 4.521 4.340 -0.000 0.000 0.210 127 L C -0.118 176.696 176.870 -0.094 0.000 1.104 127 L CA 0.289 55.102 54.840 -0.045 0.000 0.804 127 L CB -0.055 42.026 42.059 0.036 0.000 0.937 127 L HN 0.587 nan 8.230 nan 0.000 0.450 128 L N -0.440 120.669 121.223 -0.190 0.000 2.787 128 L HA 0.257 4.597 4.340 -0.000 0.000 0.260 128 L C -1.456 175.240 176.870 -0.289 0.000 0.921 128 L CA -0.387 54.306 54.840 -0.244 0.000 0.984 128 L CB 1.370 43.232 42.059 -0.329 0.000 1.519 128 L HN -0.111 nan 8.230 nan 0.000 0.452 129 K N 4.562 124.833 120.400 -0.216 0.000 2.296 129 K HA 0.756 5.076 4.320 -0.000 0.000 0.257 129 K C -0.179 176.321 176.600 -0.167 0.000 1.088 129 K CA -0.291 55.906 56.287 -0.151 0.000 0.980 129 K CB 1.297 33.761 32.500 -0.060 0.000 1.430 129 K HN 0.672 nan 8.250 nan 0.000 0.441 130 A N 2.465 125.125 122.820 -0.266 0.000 2.371 130 A HA 0.180 4.500 4.320 -0.000 0.000 0.257 130 A C 0.238 177.796 177.584 -0.042 0.000 1.089 130 A CA -0.206 51.651 52.037 -0.301 0.000 0.794 130 A CB 0.226 18.944 19.000 -0.470 0.000 1.029 130 A HN 0.823 nan 8.150 nan 0.000 0.488 131 D N -0.163 120.257 120.400 0.033 0.000 2.704 131 D HA 0.073 4.713 4.640 -0.000 0.000 0.291 131 D C -0.768 175.469 176.300 -0.104 0.000 1.610 131 D CA -0.271 53.697 54.000 -0.054 0.000 0.807 131 D CB -0.394 40.487 40.800 0.136 0.000 1.233 131 D HN 0.262 nan 8.370 nan 0.000 0.445 132 N N 1.212 119.893 118.700 -0.032 0.000 2.599 132 N HA 0.129 4.869 4.740 -0.000 0.000 0.283 132 N C 0.456 175.901 175.510 -0.109 0.000 1.160 132 N CA -0.256 52.745 53.050 -0.082 0.000 0.869 132 N CB 1.544 40.030 38.487 -0.003 0.000 1.448 132 N HN 0.070 nan 8.380 nan 0.000 0.535 133 M N 2.601 121.992 119.600 -0.348 0.000 2.260 133 M HA -0.081 4.399 4.480 -0.000 0.000 0.261 133 M C -0.135 176.172 176.300 0.012 0.000 1.066 133 M CA 1.891 56.999 55.300 -0.320 0.000 1.082 133 M CB -0.001 32.136 32.600 -0.771 0.000 1.388 133 M HN 0.352 nan 8.290 nan 0.000 0.419 134 F N -0.590 119.489 119.950 0.214 0.000 2.727 134 F HA 0.280 4.807 4.527 -0.000 0.000 0.302 134 F C 0.260 176.069 175.800 0.015 0.000 1.097 134 F CA -0.444 57.719 58.000 0.273 0.000 1.330 134 F CB -0.504 38.695 39.000 0.331 0.000 1.084 134 F HN -0.213 nan 8.300 nan 0.000 0.578 135 V N 0.048 119.880 119.914 -0.137 0.000 2.435 135 V HA 0.671 4.791 4.120 -0.000 0.000 0.290 135 V C 0.640 176.097 176.094 -1.061 0.000 1.030 135 V CA -1.135 60.689 62.300 -0.792 0.000 0.881 135 V CB 1.196 32.587 31.823 -0.720 0.000 0.983 135 V HN 0.192 nan 8.190 nan 0.000 0.445 136 G N 3.060 110.859 108.800 -1.667 0.000 2.372 136 G HA2 0.492 4.452 3.960 -0.000 0.000 0.283 136 G HA3 0.492 4.452 3.960 -0.000 0.000 0.283 136 G C -1.310 173.179 174.900 -0.685 0.000 1.177 136 G CA -0.090 44.511 45.100 -0.831 0.000 0.842 136 G HN 0.532 nan 8.290 nan 0.000 0.503 137 Y N 0.339 120.606 120.300 -0.056 0.000 2.352 137 Y HA 0.459 5.009 4.550 -0.000 0.000 0.339 137 Y C 0.664 176.610 175.900 0.078 0.000 0.992 137 Y CA -0.590 57.524 58.100 0.024 0.000 1.100 137 Y CB 2.509 41.019 38.460 0.084 0.000 1.192 137 Y HN 0.379 nan 8.280 nan 0.000 0.458 138 T N 5.666 120.334 114.554 0.189 0.000 2.791 138 T HA 0.609 4.959 4.350 -0.000 0.000 0.288 138 T C -0.679 174.095 174.700 0.124 0.000 0.999 138 T CA -0.614 61.557 62.100 0.119 0.000 0.952 138 T CB 0.160 69.064 68.868 0.061 0.000 0.938 138 T HN 0.371 nan 8.240 nan 0.000 0.444 139 L N 5.956 127.247 121.223 0.114 0.000 2.356 139 L HA 0.489 4.829 4.340 -0.000 0.000 0.277 139 L C -2.271 174.644 176.870 0.075 0.000 0.996 139 L CA -2.450 52.453 54.840 0.106 0.000 0.822 139 L CB 2.145 44.289 42.059 0.142 0.000 1.256 139 L HN 0.332 nan 8.230 nan 0.000 0.413 140 P HA 0.078 nan 4.420 nan 0.000 0.282 140 P C 0.179 177.512 177.300 0.055 0.000 1.274 140 P CA -0.142 62.998 63.100 0.066 0.000 0.770 140 P CB 1.668 33.407 31.700 0.066 0.000 0.867 141 V N 0.851 120.789 119.914 0.040 0.000 3.337 141 V HA 0.173 4.293 4.120 -0.000 0.000 0.307 141 V C 1.922 178.041 176.094 0.042 0.000 1.505 141 V CA 0.179 62.508 62.300 0.048 0.000 1.072 141 V CB -0.358 31.503 31.823 0.064 0.000 0.929 141 V HN 0.347 nan 8.190 nan 0.000 0.455 142 K N 2.695 123.108 120.400 0.021 0.000 2.103 142 K HA -0.180 4.140 4.320 -0.000 0.000 0.207 142 K C 2.061 178.683 176.600 0.036 0.000 1.048 142 K CA 2.348 58.649 56.287 0.023 0.000 0.930 142 K CB -0.222 32.274 32.500 -0.007 0.000 0.716 142 K HN 0.719 nan 8.250 nan 0.000 0.444 143 S N -0.058 115.661 115.700 0.032 0.000 2.603 143 S HA -0.030 4.440 4.470 -0.000 0.000 0.220 143 S C 1.589 176.211 174.600 0.038 0.000 0.967 143 S CA 0.417 58.636 58.200 0.031 0.000 0.920 143 S CB 0.309 63.523 63.200 0.025 0.000 0.773 143 S HN 0.304 nan 8.310 nan 0.000 0.529 144 V N -1.477 118.467 119.914 0.049 0.000 3.643 144 V HA 0.503 4.623 4.120 -0.000 0.000 0.280 144 V C 0.340 176.467 176.094 0.055 0.000 1.351 144 V CA -0.410 61.922 62.300 0.054 0.000 1.073 144 V CB -0.535 31.330 31.823 0.069 0.000 0.863 144 V HN 0.385 nan 8.190 nan 0.000 0.436 145 L N 1.729 122.990 121.223 0.063 0.000 2.436 145 L HA 0.515 4.855 4.340 -0.000 0.000 0.265 145 L C 0.499 177.389 176.870 0.033 0.000 1.168 145 L CA -0.100 54.779 54.840 0.065 0.000 0.815 145 L CB 0.838 42.971 42.059 0.123 0.000 1.109 145 L HN 0.258 nan 8.230 nan 0.000 0.462 146 R N 1.139 121.637 120.500 -0.003 0.000 2.803 146 R HA 0.363 4.702 4.340 -0.000 0.000 0.276 146 R C -0.871 175.417 176.300 -0.019 0.000 0.978 146 R CA -1.076 55.013 56.100 -0.019 0.000 0.939 146 R CB 1.917 32.188 30.300 -0.049 0.000 1.179 146 R HN 0.370 nan 8.270 nan 0.000 0.472 147 K N 1.159 121.552 120.400 -0.012 0.000 2.412 147 K HA 0.236 4.556 4.320 -0.000 0.000 0.281 147 K C 0.416 176.991 176.600 -0.042 0.000 1.027 147 K CA 1.232 57.509 56.287 -0.016 0.000 0.989 147 K CB 0.375 32.868 32.500 -0.011 0.000 0.935 147 K HN 0.735 nan 8.250 nan 0.000 0.475 148 G N 3.107 111.878 108.800 -0.047 0.000 2.488 148 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.237 148 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.237 148 G C -0.951 173.866 174.900 -0.137 0.000 1.209 148 G CA -0.280 44.778 45.100 -0.071 0.000 0.929 148 G HN 0.663 nan 8.290 nan 0.000 0.578 149 E N 1.756 121.848 120.200 -0.181 0.000 2.376 149 E HA 0.419 4.769 4.350 -0.000 0.000 0.266 149 E C 0.415 176.698 176.600 -0.529 0.000 1.009 149 E CA 0.239 56.438 56.400 -0.335 0.000 0.902 149 E CB 0.261 29.788 29.700 -0.290 0.000 0.972 149 E HN 0.480 nan 8.360 nan 0.000 0.439 150 N N 2.538 120.761 118.700 -0.795 0.000 2.272 150 N HA 0.299 5.039 4.740 -0.000 0.000 0.305 150 N C -1.108 173.824 175.510 -0.963 0.000 1.103 150 N CA -0.690 51.815 53.050 -0.907 0.000 0.791 150 N CB 1.341 39.166 38.487 -1.104 0.000 1.356 150 N HN 0.433 nan 8.380 nan 0.000 0.486 151 H N 1.553 120.477 119.070 -0.243 0.000 2.646 151 H HA 0.276 4.832 4.556 0.000 0.000 0.328 151 H C -0.758 174.657 175.328 0.145 0.000 0.998 151 H CA -0.547 55.481 56.048 -0.033 0.000 1.225 151 H CB 2.022 31.845 29.762 0.100 0.000 1.457 151 H HN 0.347 nan 8.280 nan 0.000 0.505 152 L N 4.514 125.907 121.223 0.282 0.000 2.272 152 L HA 0.359 4.699 4.340 -0.000 0.000 0.289 152 L C -1.442 175.648 176.870 0.368 0.000 1.032 152 L CA -0.364 54.700 54.840 0.374 0.000 0.810 152 L CB 0.375 42.672 42.059 0.398 0.000 1.205 152 L HN 0.429 nan 8.230 nan 0.000 0.422 153 Y N 5.064 125.571 120.300 0.346 0.000 2.446 153 Y HA 0.687 5.237 4.550 -0.000 0.000 0.345 153 Y C -0.355 175.828 175.900 0.472 0.000 0.984 153 Y CA -0.698 57.644 58.100 0.403 0.000 1.058 153 Y CB 2.034 40.686 38.460 0.320 0.000 1.220 153 Y HN 0.406 nan 8.280 nan 0.000 0.455 154 I N 3.213 124.152 120.570 0.615 0.000 2.534 154 I HA 0.189 4.359 4.170 -0.000 0.000 0.288 154 I C -1.544 174.759 176.117 0.311 0.000 1.077 154 I CA -0.901 60.609 61.300 0.350 0.000 1.051 154 I CB 1.980 40.057 38.000 0.129 0.000 1.234 154 I HN 0.525 nan 8.210 nan 0.000 0.425 155 Y N 6.365 126.707 120.300 0.069 0.000 2.353 155 Y HA 0.492 5.042 4.550 -0.000 0.000 0.340 155 Y C -1.020 174.721 175.900 -0.265 0.000 0.972 155 Y CA -0.454 57.659 58.100 0.022 0.000 1.157 155 Y CB 0.714 39.200 38.460 0.044 0.000 1.157 155 Y HN 0.339 nan 8.280 nan 0.000 0.495 156 F N 5.471 125.380 119.950 -0.068 0.000 2.350 156 F HA 0.246 4.772 4.527 -0.000 0.000 0.365 156 F C 0.372 176.148 175.800 -0.040 0.000 1.122 156 F CA -0.648 57.380 58.000 0.046 0.000 1.139 156 F CB 0.160 39.253 39.000 0.155 0.000 1.220 156 F HN 0.445 nan 8.300 nan 0.000 0.499 157 H N 1.259 120.577 119.070 0.412 0.000 2.848 157 H HA -0.022 4.534 4.556 -0.000 0.000 0.341 157 H C 0.560 176.082 175.328 0.324 0.000 1.060 157 H CA -0.140 56.131 56.048 0.372 0.000 1.444 157 H CB 1.230 31.188 29.762 0.327 0.000 1.446 157 H HN 0.494 nan 8.280 nan 0.000 0.583 158 S N 4.444 120.349 115.700 0.342 0.000 2.626 158 S HA -0.037 4.433 4.470 -0.000 0.000 0.303 158 S C -1.108 173.656 174.600 0.274 0.000 1.256 158 S CA -1.138 57.228 58.200 0.277 0.000 1.069 158 S CB 0.471 63.788 63.200 0.195 0.000 0.807 158 S HN 0.546 nan 8.310 nan 0.000 0.500 159 P HA -0.044 nan 4.420 nan 0.000 0.225 159 P C 1.460 178.898 177.300 0.230 0.000 1.156 159 P CA 0.528 63.846 63.100 0.363 0.000 0.787 159 P CB -0.010 31.923 31.700 0.387 0.000 0.802 160 I N 1.249 121.917 120.570 0.164 0.000 2.110 160 I HA -0.168 4.002 4.170 -0.000 0.000 0.236 160 I C 2.882 179.038 176.117 0.065 0.000 1.068 160 I CA 1.446 62.804 61.300 0.097 0.000 1.333 160 I CB -1.720 36.319 38.000 0.066 0.000 1.054 160 I HN 0.040 nan 8.210 nan 0.000 0.402 161 R N 1.294 121.843 120.500 0.080 0.000 2.127 161 R HA -0.259 4.081 4.340 -0.000 0.000 0.238 161 R C 2.201 178.505 176.300 0.007 0.000 1.134 161 R CA 1.993 58.128 56.100 0.058 0.000 0.975 161 R CB -0.349 30.005 30.300 0.090 0.000 0.865 161 R HN 0.332 nan 8.270 nan 0.000 0.447 162 Q N 0.516 120.299 119.800 -0.029 0.000 2.167 162 Q HA -0.094 4.246 4.340 -0.000 0.000 0.202 162 Q C 1.475 177.353 176.000 -0.203 0.000 0.970 162 Q CA 2.268 57.957 55.803 -0.191 0.000 0.855 162 Q CB 0.099 28.581 28.738 -0.427 0.000 0.911 162 Q HN 0.575 nan 8.270 nan 0.000 0.438 163 T N -3.303 111.191 114.554 -0.100 0.000 3.044 163 T HA 0.227 4.577 4.350 -0.000 0.000 0.260 163 T C 1.560 176.225 174.700 -0.058 0.000 1.019 163 T CA -0.194 61.856 62.100 -0.084 0.000 0.921 163 T CB -0.070 68.835 68.868 0.061 0.000 1.053 163 T HN 0.180 nan 8.240 nan 0.000 0.533 164 L N 1.475 122.688 121.223 -0.017 0.000 1.997 164 L HA -0.045 4.295 4.340 -0.000 0.000 0.216 164 L C -0.263 176.613 176.870 0.011 0.000 1.074 164 L CA 1.822 56.676 54.840 0.024 0.000 0.763 164 L CB -1.455 40.622 42.059 0.031 0.000 0.890 164 L HN 0.256 nan 8.230 nan 0.000 0.434 165 P HA -0.204 nan 4.420 nan 0.000 0.218 165 P C 1.443 178.645 177.300 -0.163 0.000 1.149 165 P CA 1.360 64.410 63.100 -0.085 0.000 0.817 165 P CB -0.000 31.646 31.700 -0.090 0.000 0.785 166 Q N -1.382 118.266 119.800 -0.253 0.000 2.079 166 Q HA -0.205 4.135 4.340 -0.000 0.000 0.200 166 Q C 2.295 177.915 176.000 -0.634 0.000 0.974 166 Q CA 1.150 56.669 55.803 -0.474 0.000 0.840 166 Q CB -0.581 27.770 28.738 -0.645 0.000 0.898 166 Q HN 0.121 nan 8.270 nan 0.000 0.430 167 Y N 0.473 120.421 120.300 -0.586 0.000 2.097 167 Y HA -0.300 4.250 4.550 -0.000 0.000 0.282 167 Y C 2.060 177.851 175.900 -0.182 0.000 1.152 167 Y CA 1.880 59.797 58.100 -0.306 0.000 1.136 167 Y CB -0.751 37.672 38.460 -0.061 0.000 0.975 167 Y HN 0.188 nan 8.280 nan 0.000 0.498 168 A N -0.096 122.603 122.820 -0.202 0.000 1.927 168 A HA -0.296 4.024 4.320 -0.000 0.000 0.220 168 A C 2.414 179.851 177.584 -0.245 0.000 1.185 168 A CA 2.786 54.704 52.037 -0.199 0.000 0.639 168 A CB -1.526 17.439 19.000 -0.057 0.000 0.820 168 A HN 0.665 nan 8.150 nan 0.000 0.451 169 S N -0.805 114.756 115.700 -0.233 0.000 2.561 169 S HA -0.054 4.416 4.470 -0.000 0.000 0.225 169 S C 1.399 175.870 174.600 -0.216 0.000 0.977 169 S CA 1.044 59.129 58.200 -0.191 0.000 0.926 169 S CB -0.501 62.601 63.200 -0.163 0.000 0.769 169 S HN 0.605 nan 8.310 nan 0.000 0.533 170 N N 1.375 119.884 118.700 -0.319 0.000 2.395 170 N HA 0.164 4.904 4.740 -0.000 0.000 0.175 170 N C 1.388 176.709 175.510 -0.316 0.000 1.029 170 N CA 1.130 53.983 53.050 -0.329 0.000 0.897 170 N CB -0.314 37.961 38.487 -0.353 0.000 0.991 170 N HN 0.552 nan 8.380 nan 0.000 0.441 171 G N -0.971 107.667 108.800 -0.270 0.000 2.162 171 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.260 171 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.260 171 G C 0.007 174.954 174.900 0.078 0.000 0.976 171 G CA 0.970 46.017 45.100 -0.088 0.000 0.655 171 G HN 0.592 nan 8.290 nan 0.000 0.533 172 F N -2.487 117.399 119.950 -0.107 0.000 2.773 172 F HA 0.722 5.249 4.527 -0.000 0.000 0.314 172 F C -1.118 174.699 175.800 0.028 0.000 1.160 172 F CA -1.765 56.227 58.000 -0.013 0.000 0.920 172 F CB 0.757 39.794 39.000 0.062 0.000 1.323 172 F HN 0.010 nan 8.300 nan 0.000 0.457 173 N N 1.149 120.119 118.700 0.450 0.000 2.444 173 N HA 0.313 5.053 4.740 -0.000 0.000 0.262 173 N C -1.456 174.366 175.510 0.520 0.000 0.974 173 N CA -0.523 52.802 53.050 0.459 0.000 0.933 173 N CB 0.419 39.131 38.487 0.374 0.000 1.137 173 N HN 0.637 nan 8.380 nan 0.000 0.498 174 Y N 3.107 123.616 120.300 0.348 0.000 2.683 174 Y HA 0.066 4.616 4.550 0.000 0.000 0.340 174 Y C -1.134 174.928 175.900 0.270 0.000 1.245 174 Y CA -0.746 57.474 58.100 0.201 0.000 1.485 174 Y CB 0.581 38.978 38.460 -0.105 0.000 1.328 174 Y HN 0.493 nan 8.280 nan 0.000 0.603 175 P HA 0.141 nan 4.420 nan 0.000 0.214 175 P C -0.857 176.435 177.300 -0.013 0.000 1.807 175 P CA 0.008 63.180 63.100 0.120 0.000 0.921 175 P CB -0.361 31.160 31.700 -0.298 0.000 1.835 176 A N 1.248 123.938 122.820 -0.217 0.000 2.922 176 A HA 0.162 4.482 4.320 -0.000 0.000 0.298 176 A C 1.016 178.150 177.584 -0.751 0.000 1.588 176 A CA -0.279 51.492 52.037 -0.444 0.000 1.288 176 A CB -0.423 18.324 19.000 -0.422 0.000 1.130 176 A HN 0.065 nan 8.150 nan 0.000 0.557 177 D N 0.811 120.969 120.400 -0.402 0.000 2.310 177 D HA -0.112 4.528 4.640 -0.000 0.000 0.212 177 D C 1.003 177.118 176.300 -0.308 0.000 0.965 177 D CA 0.758 54.586 54.000 -0.286 0.000 0.879 177 D CB 0.128 40.860 40.800 -0.113 0.000 0.921 177 D HN 0.509 nan 8.370 nan 0.000 0.510 178 N N 0.956 119.321 118.700 -0.559 0.000 2.494 178 N HA -0.090 4.650 4.740 -0.000 0.000 0.182 178 N C 0.176 175.261 175.510 -0.707 0.000 1.076 178 N CA 0.389 52.937 53.050 -0.837 0.000 0.908 178 N CB 0.229 37.613 38.487 -1.837 0.000 0.967 178 N HN 0.156 nan 8.380 nan 0.000 0.449 179 D N 0.628 120.764 120.400 -0.440 0.000 2.365 179 D HA 0.024 4.664 4.640 -0.000 0.000 0.237 179 D C -0.530 175.807 176.300 0.061 0.000 1.190 179 D CA -0.218 53.668 54.000 -0.189 0.000 0.867 179 D CB -0.105 40.577 40.800 -0.198 0.000 1.050 179 D HN 0.226 nan 8.370 nan 0.000 0.491 180 H N 4.306 123.429 119.070 0.089 0.000 2.855 180 H HA 0.178 4.734 4.556 -0.000 0.000 0.238 180 H C -0.100 175.334 175.328 0.176 0.000 1.847 180 H CA -0.284 55.812 56.048 0.081 0.000 1.368 180 H CB 0.101 29.864 29.762 0.002 0.000 1.758 180 H HN 0.324 nan 8.280 nan 0.000 0.546 181 H N 0.733 119.931 119.070 0.212 0.000 3.068 181 H HA -0.018 4.538 4.556 -0.000 0.000 0.342 181 H C 0.571 175.934 175.328 0.058 0.000 1.284 181 H CA -0.470 55.651 56.048 0.121 0.000 1.181 181 H CB 1.680 31.516 29.762 0.123 0.000 1.898 181 H HN 0.525 nan 8.280 nan 0.000 0.540 182 E N 2.349 122.518 120.200 -0.052 0.000 2.097 182 E HA -0.117 4.233 4.350 -0.000 0.000 0.196 182 E C -0.466 176.042 176.600 -0.154 0.000 1.000 182 E CA 1.081 57.437 56.400 -0.073 0.000 0.804 182 E CB 0.257 29.887 29.700 -0.117 0.000 0.740 182 E HN 0.361 nan 8.360 nan 0.000 0.454 183 K N 0.356 120.801 120.400 0.074 0.000 2.213 183 K HA 0.241 4.561 4.320 -0.000 0.000 0.270 183 K C -1.129 175.347 176.600 -0.207 0.000 1.002 183 K CA -0.330 55.737 56.287 -0.367 0.000 0.868 183 K CB 1.129 33.302 32.500 -0.546 0.000 1.093 183 K HN 0.191 nan 8.250 nan 0.000 0.454 184 H N 3.689 122.711 119.070 -0.081 0.000 2.788 184 H HA 0.108 4.664 4.556 -0.000 0.000 0.254 184 H C 0.789 176.080 175.328 -0.062 0.000 1.541 184 H CA -0.382 55.638 56.048 -0.046 0.000 1.295 184 H CB 0.183 29.948 29.762 0.005 0.000 1.592 184 H HN 0.376 nan 8.280 nan 0.000 0.545 185 L N 0.925 122.151 121.223 0.005 0.000 2.341 185 L HA -0.099 4.241 4.340 -0.000 0.000 0.214 185 L C 2.410 179.227 176.870 -0.088 0.000 1.115 185 L CA 0.491 55.395 54.840 0.107 0.000 0.820 185 L CB -0.202 41.909 42.059 0.087 0.000 0.944 185 L HN 0.568 nan 8.230 nan 0.000 0.452 186 S N 0.727 116.079 115.700 -0.581 0.000 2.380 186 S HA -0.216 4.254 4.470 -0.000 0.000 0.229 186 S C 1.984 176.379 174.600 -0.341 0.000 1.043 186 S CA 1.557 59.181 58.200 -0.959 0.000 1.038 186 S CB -1.340 61.151 63.200 -1.183 0.000 0.872 186 S HN 0.352 nan 8.310 nan 0.000 0.456 187 V N -1.688 117.966 119.914 -0.432 0.000 2.568 187 V HA -0.042 4.078 4.120 -0.000 0.000 0.253 187 V C 2.030 177.881 176.094 -0.406 0.000 1.072 187 V CA 1.481 63.461 62.300 -0.534 0.000 1.084 187 V CB -1.556 29.579 31.823 -1.147 0.000 0.676 187 V HN 0.409 nan 8.190 nan 0.000 0.469 188 F N 0.932 120.854 119.950 -0.046 0.000 2.615 188 F HA 0.304 4.831 4.527 -0.000 0.000 0.297 188 F C 1.389 177.362 175.800 0.288 0.000 1.124 188 F CA 0.260 58.285 58.000 0.042 0.000 1.451 188 F CB -0.261 38.758 39.000 0.032 0.000 1.103 188 F HN 0.073 nan 8.300 nan 0.000 0.569 189 S N 0.941 116.890 115.700 0.415 0.000 2.454 189 S HA 0.418 4.888 4.470 -0.000 0.000 0.306 189 S C 0.015 174.794 174.600 0.298 0.000 1.100 189 S CA -0.858 57.581 58.200 0.397 0.000 1.087 189 S CB 1.158 64.603 63.200 0.407 0.000 1.019 189 S HN -0.059 nan 8.310 nan 0.000 0.480 190 R N 3.307 123.922 120.500 0.192 0.000 2.609 190 R HA 0.304 4.644 4.340 -0.000 0.000 0.271 190 R C -0.065 176.045 176.300 -0.317 0.000 1.403 190 R CA 0.007 56.154 56.100 0.077 0.000 1.138 190 R CB -0.966 29.389 30.300 0.090 0.000 1.142 190 R HN 0.585 nan 8.270 nan 0.000 0.559 191 K N -0.051 120.218 120.400 -0.218 0.000 2.557 191 K HA 0.373 4.693 4.320 -0.000 0.000 0.261 191 K C -1.133 175.493 176.600 0.044 0.000 0.932 191 K CA -0.627 55.471 56.287 -0.316 0.000 0.829 191 K CB 1.894 34.357 32.500 -0.061 0.000 1.358 191 K HN 0.394 nan 8.250 nan 0.000 0.430 192 A N 5.125 127.961 122.820 0.027 0.000 2.558 192 A HA 0.064 4.384 4.320 -0.000 0.000 0.262 192 A C -1.929 175.828 177.584 0.287 0.000 1.049 192 A CA -0.474 51.722 52.037 0.266 0.000 0.804 192 A CB -0.429 18.697 19.000 0.211 0.000 0.957 192 A HN 0.611 nan 8.150 nan 0.000 0.520 193 P HA -0.227 nan 4.420 nan 0.000 0.216 193 P C 1.305 178.846 177.300 0.402 0.000 1.153 193 P CA 1.949 65.236 63.100 0.312 0.000 0.858 193 P CB -0.171 31.641 31.700 0.187 0.000 0.789 194 Y N -0.226 120.138 120.300 0.106 0.000 2.556 194 Y HA -0.147 4.403 4.550 -0.000 0.000 0.290 194 Y C 1.943 177.900 175.900 0.095 0.000 1.149 194 Y CA 1.062 59.243 58.100 0.134 0.000 1.329 194 Y CB -1.422 37.119 38.460 0.135 0.000 0.975 194 Y HN -0.022 nan 8.280 nan 0.000 0.561 195 S N -0.864 114.513 115.700 -0.539 0.000 2.447 195 S HA -0.190 4.280 4.470 -0.000 0.000 0.233 195 S C 1.172 175.480 174.600 -0.487 0.000 1.006 195 S CA 0.750 58.504 58.200 -0.743 0.000 0.957 195 S CB -1.095 61.695 63.200 -0.683 0.000 0.773 195 S HN 0.656 nan 8.310 nan 0.000 0.507 196 Y N 2.584 122.750 120.300 -0.224 0.000 2.490 196 Y HA 0.431 4.981 4.550 -0.000 0.000 0.281 196 Y C 1.496 177.254 175.900 -0.236 0.000 1.174 196 Y CA 0.211 58.217 58.100 -0.157 0.000 1.295 196 Y CB -0.146 38.269 38.460 -0.076 0.000 1.062 196 Y HN 0.580 nan 8.280 nan 0.000 0.522 197 G N -0.924 107.772 108.800 -0.173 0.000 2.459 197 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.685 197 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.685 197 G C -1.520 173.176 174.900 -0.341 0.000 1.303 197 G CA -0.917 43.925 45.100 -0.431 0.000 0.907 197 G HN 0.116 nan 8.290 nan 0.000 0.632 198 W N 0.196 121.106 121.300 -0.650 0.000 2.982 198 W HA 0.316 4.976 4.660 0.000 0.000 0.344 198 W C -0.141 176.139 176.519 -0.399 0.000 1.215 198 W CA 0.286 57.248 57.345 -0.637 0.000 1.182 198 W CB 1.366 30.187 29.460 -1.065 0.000 1.437 198 W HN 0.831 nan 8.180 nan 0.000 0.570 199 D N -0.259 119.937 120.400 -0.340 0.000 2.352 199 D HA -0.085 4.555 4.640 -0.000 0.000 0.232 199 D C 0.928 177.427 176.300 0.331 0.000 1.055 199 D CA 0.623 54.650 54.000 0.044 0.000 0.891 199 D CB -0.555 40.310 40.800 0.109 0.000 0.897 199 D HN 0.428 nan 8.370 nan 0.000 0.529 200 W N -1.343 120.282 121.300 0.540 0.000 2.284 200 W HA 0.606 5.266 4.660 -0.000 0.000 0.334 200 W C -0.155 176.665 176.519 0.502 0.000 0.917 200 W CA -0.815 56.817 57.345 0.477 0.000 1.621 200 W CB 0.148 29.904 29.460 0.494 0.000 1.129 200 W HN 0.006 nan 8.180 nan 0.000 0.528 201 G N 1.442 110.478 108.800 0.393 0.000 2.672 201 G HA2 0.560 4.520 3.960 -0.000 0.000 0.292 201 G HA3 0.560 4.520 3.960 -0.000 0.000 0.292 201 G C -1.696 172.969 174.900 -0.392 0.000 1.375 201 G CA -0.964 44.211 45.100 0.126 0.000 0.890 201 G HN 0.084 nan 8.290 nan 0.000 0.476 202 I N 0.014 119.922 120.570 -1.105 0.000 2.532 202 I HA 0.497 4.667 4.170 -0.000 0.000 0.292 202 I C 0.614 176.417 176.117 -0.523 0.000 1.014 202 I CA -1.048 59.620 61.300 -1.053 0.000 1.340 202 I CB 1.006 38.081 38.000 -1.541 0.000 1.422 202 I HN 0.453 nan 8.210 nan 0.000 0.528 203 R N 8.140 128.437 120.500 -0.338 0.000 2.210 203 R HA 0.416 4.756 4.340 -0.000 0.000 0.338 203 R C -1.374 174.735 176.300 -0.318 0.000 1.062 203 R CA -0.174 55.770 56.100 -0.261 0.000 0.902 203 R CB 0.413 30.655 30.300 -0.096 0.000 1.050 203 R HN 0.673 nan 8.270 nan 0.000 0.461 204 M N 5.651 124.994 119.600 -0.428 0.000 1.996 204 M HA 0.183 4.663 4.480 -0.000 0.000 0.268 204 M C -0.991 174.955 176.300 -0.591 0.000 0.888 204 M CA -0.671 54.297 55.300 -0.554 0.000 0.939 204 M CB 2.165 34.375 32.600 -0.650 0.000 1.736 204 M HN 0.231 nan 8.290 nan 0.000 0.407 205 V N 1.927 121.566 119.914 -0.458 0.000 2.229 205 V HA 0.096 4.216 4.120 -0.000 0.000 0.245 205 V C 0.760 176.682 176.094 -0.287 0.000 1.243 205 V CA 0.307 62.317 62.300 -0.483 0.000 1.176 205 V CB 0.233 31.753 31.823 -0.505 0.000 1.323 205 V HN 0.761 nan 8.190 nan 0.000 0.499 206 T N 3.116 117.455 114.554 -0.358 0.000 2.814 206 T HA 0.616 4.966 4.350 -0.000 0.000 0.284 206 T C 0.172 174.731 174.700 -0.236 0.000 0.998 206 T CA -0.138 61.831 62.100 -0.219 0.000 0.935 206 T CB 1.121 69.820 68.868 -0.281 0.000 1.167 206 T HN 0.652 nan 8.240 nan 0.000 0.545 207 S N -1.301 114.225 115.700 -0.290 0.000 2.615 207 S HA 0.826 5.296 4.470 -0.000 0.000 0.269 207 S C -0.276 173.917 174.600 -0.678 0.000 1.161 207 S CA -0.240 57.709 58.200 -0.419 0.000 0.817 207 S CB 1.554 64.575 63.200 -0.299 0.000 1.131 207 S HN 1.377 nan 8.310 nan 0.000 0.467 208 G N -0.426 107.674 108.800 -1.167 0.000 2.353 208 G HA2 0.182 4.142 3.960 -0.000 0.000 0.424 208 G HA3 0.182 4.142 3.960 -0.000 0.000 0.424 208 G C -1.711 172.857 174.900 -0.554 0.000 1.320 208 G CA -0.616 43.745 45.100 -1.232 0.000 0.995 208 G HN 1.018 nan 8.290 nan 0.000 0.580 209 V N 2.371 122.038 119.914 -0.413 0.000 2.276 209 V HA 0.242 4.362 4.120 -0.000 0.000 0.249 209 V C 1.362 177.425 176.094 -0.053 0.000 1.160 209 V CA 0.332 62.573 62.300 -0.099 0.000 1.042 209 V CB -0.108 31.545 31.823 -0.284 0.000 1.224 209 V HN 0.824 nan 8.190 nan 0.000 0.496 210 W N 5.182 126.407 121.300 -0.124 0.000 3.256 210 W HA 0.328 4.989 4.660 0.000 0.000 0.269 210 W C 0.273 176.787 176.519 -0.008 0.000 1.310 210 W CA -0.568 56.725 57.345 -0.086 0.000 1.673 210 W CB 0.107 29.528 29.460 -0.066 0.000 1.115 210 W HN 0.346 nan 8.180 nan 0.000 0.686 211 R N -0.035 120.239 120.500 -0.377 0.000 2.831 211 R HA 0.407 4.747 4.340 -0.000 0.000 0.266 211 R C -2.627 173.568 176.300 -0.174 0.000 1.051 211 R CA -2.009 53.857 56.100 -0.390 0.000 0.943 211 R CB 1.443 31.342 30.300 -0.669 0.000 1.228 211 R HN -0.392 nan 8.270 nan 0.000 0.467 212 P HA 0.081 nan 4.420 nan 0.000 0.272 212 P C -0.980 176.287 177.300 -0.055 0.000 1.223 212 P CA -0.279 62.783 63.100 -0.063 0.000 0.784 212 P CB 0.592 32.264 31.700 -0.046 0.000 0.923 213 V N 2.225 122.113 119.914 -0.043 0.000 2.459 213 V HA 0.527 4.647 4.120 -0.000 0.000 0.295 213 V C 0.242 176.260 176.094 -0.126 0.000 1.029 213 V CA -0.119 62.093 62.300 -0.147 0.000 0.874 213 V CB 1.665 33.464 31.823 -0.041 0.000 0.985 213 V HN 0.494 nan 8.190 nan 0.000 0.438 214 T N 5.323 119.752 114.554 -0.207 0.000 2.912 214 T HA 0.640 4.990 4.350 -0.000 0.000 0.299 214 T C -0.931 173.637 174.700 -0.219 0.000 1.052 214 T CA -0.389 61.619 62.100 -0.153 0.000 0.996 214 T CB 1.514 70.324 68.868 -0.097 0.000 1.070 214 T HN 0.424 nan 8.240 nan 0.000 0.465 215 L N 2.936 124.038 121.223 -0.201 0.000 2.313 215 L HA 0.620 4.960 4.340 -0.000 0.000 0.283 215 L C 0.002 176.731 176.870 -0.235 0.000 1.013 215 L CA -0.782 53.885 54.840 -0.287 0.000 0.816 215 L CB 1.539 43.380 42.059 -0.362 0.000 1.236 215 L HN 0.408 nan 8.230 nan 0.000 0.419 216 R N 3.587 123.923 120.500 -0.273 0.000 2.310 216 R HA 0.485 4.825 4.340 -0.000 0.000 0.324 216 R C -1.607 174.642 176.300 -0.085 0.000 0.955 216 R CA -0.373 55.672 56.100 -0.092 0.000 0.830 216 R CB 0.740 31.027 30.300 -0.022 0.000 1.154 216 R HN 0.309 nan 8.270 nan 0.000 0.458 217 F N 6.142 126.180 119.950 0.147 0.000 2.411 217 F HA 0.384 4.911 4.527 -0.000 0.000 0.352 217 F C -0.344 175.557 175.800 0.168 0.000 1.123 217 F CA -0.543 57.525 58.000 0.112 0.000 1.044 217 F CB 1.021 40.047 39.000 0.043 0.000 1.135 217 F HN 0.471 nan 8.300 nan 0.000 0.461 218 Y N -0.509 119.875 120.300 0.140 0.000 2.644 218 Y HA 0.699 5.249 4.550 -0.000 0.000 0.338 218 Y C -1.592 174.346 175.900 0.063 0.000 1.119 218 Y CA -1.563 56.585 58.100 0.081 0.000 1.060 218 Y CB 1.260 39.744 38.460 0.040 0.000 1.294 218 Y HN 0.308 nan 8.280 nan 0.000 0.472 219 D N 2.219 122.697 120.400 0.131 0.000 2.252 219 D HA 0.416 5.056 4.640 -0.000 0.000 0.245 219 D C 0.776 177.162 176.300 0.144 0.000 1.009 219 D CA -0.078 53.948 54.000 0.043 0.000 0.870 219 D CB 1.974 42.800 40.800 0.043 0.000 1.251 219 D HN 0.761 nan 8.370 nan 0.000 0.460 220 I N -0.588 120.027 120.570 0.075 0.000 4.701 220 I HA -0.386 3.784 4.170 -0.000 0.000 0.046 220 I C 0.568 176.796 176.117 0.184 0.000 0.626 220 I CA 1.769 63.128 61.300 0.099 0.000 0.723 220 I CB -1.922 36.119 38.000 0.069 0.000 0.675 220 I HN 0.624 nan 8.210 nan 0.000 0.157 221 A N 0.026 122.992 122.820 0.244 0.000 2.602 221 A HA 0.789 5.109 4.320 -0.000 0.000 0.290 221 A C -0.185 177.404 177.584 0.009 0.000 1.114 221 A CA 0.449 52.592 52.037 0.176 0.000 0.683 221 A CB 1.727 20.762 19.000 0.058 0.000 1.281 221 A HN 0.724 nan 8.150 nan 0.000 0.416 222 T N -1.417 113.023 114.554 -0.190 0.000 2.907 222 T HA 0.691 5.041 4.350 -0.000 0.000 0.292 222 T C -0.568 174.043 174.700 -0.149 0.000 1.043 222 T CA -0.427 61.501 62.100 -0.286 0.000 1.003 222 T CB 0.895 69.443 68.868 -0.532 0.000 1.084 222 T HN 0.531 nan 8.240 nan 0.000 0.483 223 I N 3.147 123.646 120.570 -0.118 0.000 2.347 223 I HA 0.136 4.306 4.170 -0.000 0.000 0.294 223 I C 1.316 177.402 176.117 -0.052 0.000 1.090 223 I CA -0.224 61.034 61.300 -0.069 0.000 1.314 223 I CB 0.949 38.910 38.000 -0.064 0.000 1.423 223 I HN 0.802 nan 8.210 nan 0.000 0.503 224 S N 3.323 119.002 115.700 -0.036 0.000 2.428 224 S HA -0.050 4.419 4.470 -0.000 0.000 0.230 224 S C 0.314 174.926 174.600 0.020 0.000 1.014 224 S CA 0.484 58.673 58.200 -0.020 0.000 0.957 224 S CB -0.184 63.005 63.200 -0.018 0.000 0.784 224 S HN 0.787 nan 8.310 nan 0.000 0.499 225 D N -1.118 119.318 120.400 0.060 0.000 2.837 225 D HA 0.411 5.051 4.640 -0.000 0.000 0.220 225 D C -1.974 174.471 176.300 0.241 0.000 1.236 225 D CA -0.601 53.470 54.000 0.119 0.000 0.838 225 D CB 1.187 42.039 40.800 0.088 0.000 1.647 225 D HN -0.017 nan 8.370 nan 0.000 0.486 226 Y N 3.743 124.140 120.300 0.161 0.000 2.329 226 Y HA 0.532 5.083 4.550 0.000 0.000 0.328 226 Y C -2.293 173.796 175.900 0.314 0.000 0.992 226 Y CA -1.245 56.985 58.100 0.216 0.000 1.151 226 Y CB 0.801 39.348 38.460 0.145 0.000 1.150 226 Y HN 0.409 nan 8.280 nan 0.000 0.450 227 Y N 6.260 126.588 120.300 0.047 0.000 2.331 227 Y HA 0.663 5.213 4.550 0.000 0.000 0.334 227 Y C -1.636 174.115 175.900 -0.249 0.000 0.960 227 Y CA -1.739 56.253 58.100 -0.180 0.000 1.130 227 Y CB 1.392 39.812 38.460 -0.066 0.000 1.164 227 Y HN 0.358 nan 8.280 nan 0.000 0.458 228 V N 8.123 127.733 119.914 -0.507 0.000 2.334 228 V HA 0.427 4.547 4.120 -0.000 0.000 0.267 228 V C -0.007 175.634 176.094 -0.755 0.000 1.040 228 V CA -0.632 61.311 62.300 -0.595 0.000 0.866 228 V CB 0.691 32.087 31.823 -0.711 0.000 1.019 228 V HN 0.722 nan 8.190 nan 0.000 0.468 229 R N 4.148 124.186 120.500 -0.770 0.000 2.346 229 R HA 0.407 4.747 4.340 -0.000 0.000 0.311 229 R C -0.187 175.897 176.300 -0.360 0.000 0.983 229 R CA -0.512 55.146 56.100 -0.736 0.000 0.880 229 R CB 1.106 30.961 30.300 -0.742 0.000 1.100 229 R HN 0.776 nan 8.270 nan 0.000 0.453 230 Q N 5.087 124.733 119.800 -0.256 0.000 2.322 230 Q HA 0.141 4.481 4.340 -0.000 0.000 0.256 230 Q C 0.162 176.098 176.000 -0.106 0.000 0.960 230 Q CA -0.305 55.402 55.803 -0.160 0.000 0.934 230 Q CB 1.193 29.851 28.738 -0.133 0.000 1.200 230 Q HN 0.812 nan 8.270 nan 0.000 0.435 231 L N 2.235 123.406 121.223 -0.087 0.000 2.102 231 L HA 0.085 4.425 4.340 -0.000 0.000 0.202 231 L C 0.835 177.682 176.870 -0.038 0.000 1.076 231 L CA 0.537 55.343 54.840 -0.058 0.000 0.761 231 L CB -0.102 41.927 42.059 -0.050 0.000 0.921 231 L HN 0.659 nan 8.230 nan 0.000 0.444 232 S N -0.942 114.737 115.700 -0.034 0.000 2.550 232 S HA 0.604 5.074 4.470 -0.000 0.000 0.270 232 S C -1.319 173.272 174.600 -0.015 0.000 1.145 232 S CA -0.799 57.389 58.200 -0.019 0.000 0.852 232 S CB 2.440 65.633 63.200 -0.013 0.000 1.119 232 S HN 0.005 nan 8.310 nan 0.000 0.465 233 L N 2.592 123.813 121.223 -0.002 0.000 2.404 233 L HA 0.793 5.133 4.340 -0.000 0.000 0.272 233 L C -0.143 176.738 176.870 0.019 0.000 0.980 233 L CA 0.356 55.201 54.840 0.009 0.000 0.836 233 L CB 1.722 43.792 42.059 0.019 0.000 1.238 233 L HN 1.194 nan 8.230 nan 0.000 0.408 234 T N -0.790 113.775 114.554 0.019 0.000 2.883 234 T HA 0.427 4.777 4.350 -0.000 0.000 0.284 234 T C 0.483 175.201 174.700 0.030 0.000 1.041 234 T CA -0.551 61.563 62.100 0.023 0.000 1.007 234 T CB 1.139 70.017 68.868 0.017 0.000 1.220 234 T HN 0.481 nan 8.240 nan 0.000 0.552 235 D N 0.235 120.653 120.400 0.030 0.000 2.218 235 D HA -0.039 4.601 4.640 -0.000 0.000 0.204 235 D C 1.557 177.878 176.300 0.034 0.000 0.976 235 D CA 1.264 55.284 54.000 0.035 0.000 0.853 235 D CB 0.133 40.950 40.800 0.027 0.000 0.939 235 D HN 0.650 nan 8.370 nan 0.000 0.481 236 E N -0.374 119.842 120.200 0.026 0.000 2.166 236 E HA 0.091 4.441 4.350 -0.000 0.000 0.192 236 E C 0.315 176.928 176.600 0.021 0.000 0.967 236 E CA 0.281 56.695 56.400 0.023 0.000 0.840 236 E CB 0.378 30.088 29.700 0.017 0.000 0.795 236 E HN 0.002 nan 8.360 nan 0.000 0.470 237 N N -0.774 117.937 118.700 0.017 0.000 2.308 237 N HA 0.544 5.284 4.740 -0.000 0.000 0.283 237 N C -1.993 173.519 175.510 0.004 0.000 1.105 237 N CA -0.444 52.613 53.050 0.010 0.000 0.840 237 N CB 1.772 40.262 38.487 0.006 0.000 1.633 237 N HN -0.001 nan 8.380 nan 0.000 0.476 238 A N 2.608 125.424 122.820 -0.006 0.000 2.304 238 A HA 0.702 5.021 4.320 -0.000 0.000 0.314 238 A C -0.607 176.966 177.584 -0.018 0.000 1.187 238 A CA -0.611 51.415 52.037 -0.019 0.000 0.810 238 A CB 0.565 19.540 19.000 -0.041 0.000 1.183 238 A HN 0.646 nan 8.150 nan 0.000 0.487 239 R N 2.417 122.906 120.500 -0.020 0.000 2.295 239 R HA 0.594 4.934 4.340 -0.000 0.000 0.324 239 R C -1.124 175.157 176.300 -0.032 0.000 0.968 239 R CA -0.597 55.493 56.100 -0.018 0.000 0.837 239 R CB 1.234 31.524 30.300 -0.017 0.000 1.133 239 R HN 0.474 nan 8.270 nan 0.000 0.450 240 L N 1.238 122.453 121.223 -0.014 0.000 2.362 240 L HA 0.432 4.772 4.340 -0.000 0.000 0.271 240 L C 0.082 176.937 176.870 -0.026 0.000 1.002 240 L CA -0.471 54.350 54.840 -0.032 0.000 0.818 240 L CB 1.828 43.907 42.059 0.033 0.000 1.298 240 L HN 0.536 nan 8.230 nan 0.000 0.420 241 S N 2.544 118.194 115.700 -0.083 0.000 2.520 241 S HA 0.399 4.869 4.470 -0.000 0.000 0.324 241 S C -0.305 174.255 174.600 -0.068 0.000 1.069 241 S CA -0.691 57.471 58.200 -0.064 0.000 1.121 241 S CB 0.005 63.149 63.200 -0.094 0.000 0.971 241 S HN 0.544 nan 8.310 nan 0.000 0.463 242 N N 4.723 123.458 118.700 0.059 0.000 2.399 242 N HA 0.094 4.834 4.740 -0.000 0.000 0.259 242 N C -0.612 175.005 175.510 0.179 0.000 1.160 242 N CA 0.100 53.269 53.050 0.198 0.000 0.946 242 N CB 0.751 39.430 38.487 0.321 0.000 1.156 242 N HN 0.683 nan 8.380 nan 0.000 0.489 243 E N 2.241 122.548 120.200 0.177 0.000 2.134 243 E HA 0.351 4.701 4.350 -0.000 0.000 0.278 243 E C -0.573 176.204 176.600 0.296 0.000 0.959 243 E CA -0.466 56.051 56.400 0.195 0.000 0.783 243 E CB 1.347 31.153 29.700 0.177 0.000 1.095 243 E HN 0.306 nan 8.360 nan 0.000 0.399 244 L N 4.375 125.724 121.223 0.210 0.000 2.346 244 L HA 0.520 4.860 4.340 -0.000 0.000 0.276 244 L C -0.620 176.321 176.870 0.119 0.000 1.006 244 L CA -0.480 54.458 54.840 0.162 0.000 0.817 244 L CB 1.454 43.540 42.059 0.045 0.000 1.272 244 L HN 0.458 nan 8.230 nan 0.000 0.421 245 I N 3.588 124.211 120.570 0.088 0.000 2.382 245 I HA 0.400 4.570 4.170 -0.000 0.000 0.286 245 I C -0.900 175.193 176.117 -0.040 0.000 1.002 245 I CA -0.716 60.579 61.300 -0.009 0.000 1.135 245 I CB 1.806 39.814 38.000 0.013 0.000 1.288 245 I HN 0.158 nan 8.210 nan 0.000 0.448 246 V N 5.366 125.233 119.914 -0.079 0.000 2.409 246 V HA 0.277 4.397 4.120 -0.000 0.000 0.291 246 V C -0.227 175.826 176.094 -0.067 0.000 1.020 246 V CA -0.687 61.576 62.300 -0.063 0.000 0.848 246 V CB 1.807 33.601 31.823 -0.048 0.000 0.990 246 V HN 0.678 nan 8.190 nan 0.000 0.430 247 N N 4.009 122.677 118.700 -0.053 0.000 2.462 247 N HA 0.220 4.960 4.740 -0.000 0.000 0.242 247 N C -0.343 175.177 175.510 0.017 0.000 1.010 247 N CA -0.221 52.812 53.050 -0.027 0.000 0.939 247 N CB 1.019 39.490 38.487 -0.026 0.000 1.127 247 N HN 0.776 nan 8.380 nan 0.000 0.509 248 Q N 3.830 123.646 119.800 0.027 0.000 2.294 248 Q HA 0.218 4.557 4.340 -0.000 0.000 0.257 248 Q C 0.262 176.309 176.000 0.078 0.000 0.955 248 Q CA -0.337 55.503 55.803 0.061 0.000 0.936 248 Q CB 0.876 29.636 28.738 0.036 0.000 1.188 248 Q HN 0.716 nan 8.270 nan 0.000 0.420 249 I N 4.628 125.272 120.570 0.122 0.000 3.419 249 I HA 0.003 4.173 4.170 -0.000 0.000 0.286 249 I C 0.008 176.150 176.117 0.041 0.000 1.268 249 I CA 0.296 61.653 61.300 0.095 0.000 1.414 249 I CB 0.799 38.877 38.000 0.130 0.000 1.074 249 I HN 0.535 nan 8.210 nan 0.000 0.457 250 V N -1.555 118.380 119.914 0.036 0.000 2.617 250 V HA 0.496 4.616 4.120 -0.000 0.000 0.298 250 V C -1.557 174.548 176.094 0.017 0.000 1.048 250 V CA -1.378 60.931 62.300 0.017 0.000 0.964 250 V CB 0.748 32.577 31.823 0.010 0.000 1.004 250 V HN -0.038 nan 8.190 nan 0.000 0.466 251 P HA -0.077 nan 4.420 nan 0.000 0.217 251 P C 0.415 177.722 177.300 0.011 0.000 1.151 251 P CA 0.957 64.064 63.100 0.011 0.000 0.828 251 P CB 0.138 31.843 31.700 0.008 0.000 0.788 252 Q N 0.892 120.697 119.800 0.010 0.000 2.382 252 Q HA 0.201 4.541 4.340 -0.000 0.000 0.229 252 Q C -0.092 175.914 176.000 0.010 0.000 1.006 252 Q CA -0.200 55.608 55.803 0.009 0.000 0.916 252 Q CB 0.792 29.534 28.738 0.007 0.000 1.235 252 Q HN 0.089 nan 8.270 nan 0.000 0.512 253 K N 1.084 121.489 120.400 0.009 0.000 2.298 253 K HA 0.361 4.681 4.320 -0.000 0.000 0.280 253 K C -0.375 176.230 176.600 0.009 0.000 1.032 253 K CA -0.375 55.917 56.287 0.009 0.000 0.958 253 K CB 0.647 33.152 32.500 0.008 0.000 0.978 253 K HN 0.494 nan 8.250 nan 0.000 0.472 254 I N 5.329 125.905 120.570 0.010 0.000 2.418 254 I HA 0.260 4.430 4.170 -0.000 0.000 0.287 254 I C -2.383 173.739 176.117 0.008 0.000 1.008 254 I CA -2.973 58.332 61.300 0.010 0.000 1.104 254 I CB 1.442 39.450 38.000 0.013 0.000 1.264 254 I HN 0.283 nan 8.210 nan 0.000 0.438 255 P HA 0.468 nan 4.420 nan 0.000 0.281 255 P C -0.847 176.455 177.300 0.003 0.000 1.252 255 P CA -0.191 62.911 63.100 0.004 0.000 0.778 255 P CB 1.413 33.115 31.700 0.004 0.000 0.895 256 A N 2.063 124.884 122.820 0.001 0.000 2.594 256 A HA 0.645 4.965 4.320 -0.000 0.000 0.291 256 A C -1.292 176.289 177.584 -0.005 0.000 1.105 256 A CA -0.611 51.425 52.037 -0.002 0.000 0.694 256 A CB 1.402 20.401 19.000 -0.002 0.000 1.291 256 A HN 0.488 nan 8.150 nan 0.000 0.410 257 E N 0.711 120.906 120.200 -0.009 0.000 2.191 257 E HA 0.550 4.900 4.350 -0.000 0.000 0.263 257 E C -1.555 175.032 176.600 -0.022 0.000 0.881 257 E CA -0.510 55.882 56.400 -0.013 0.000 0.757 257 E CB 1.610 31.303 29.700 -0.012 0.000 1.147 257 E HN 0.435 nan 8.360 nan 0.000 0.414 258 V N 5.232 125.131 119.914 -0.025 0.000 2.406 258 V HA 0.394 4.514 4.120 -0.000 0.000 0.272 258 V C 0.080 176.149 176.094 -0.041 0.000 1.043 258 V CA -0.306 61.970 62.300 -0.040 0.000 0.915 258 V CB 0.944 32.743 31.823 -0.040 0.000 0.988 258 V HN 0.650 nan 8.190 nan 0.000 0.466 259 R N 3.341 123.808 120.500 -0.055 0.000 2.637 259 R HA 0.787 5.127 4.340 -0.000 0.000 0.291 259 R C -1.447 174.812 176.300 -0.068 0.000 0.963 259 R CA -0.702 55.368 56.100 -0.050 0.000 0.901 259 R CB 2.431 32.706 30.300 -0.042 0.000 1.160 259 R HN 0.490 nan 8.270 nan 0.000 0.457 260 V N 2.867 122.752 119.914 -0.048 0.000 2.444 260 V HA 0.299 4.419 4.120 -0.000 0.000 0.294 260 V C -0.592 175.471 176.094 -0.051 0.000 1.022 260 V CA -0.886 61.392 62.300 -0.037 0.000 0.850 260 V CB 1.631 33.468 31.823 0.023 0.000 0.992 260 V HN 0.713 nan 8.190 nan 0.000 0.426 261 N N 4.049 122.713 118.700 -0.060 0.000 2.400 261 N HA 0.504 5.244 4.740 -0.000 0.000 0.288 261 N C -1.372 174.028 175.510 -0.183 0.000 1.024 261 N CA -0.229 52.766 53.050 -0.092 0.000 0.894 261 N CB 2.206 40.660 38.487 -0.055 0.000 1.173 261 N HN 0.382 nan 8.380 nan 0.000 0.487 262 V N 2.677 122.427 119.914 -0.273 0.000 2.384 262 V HA 0.439 4.558 4.120 -0.000 0.000 0.287 262 V C -0.205 175.798 176.094 -0.152 0.000 1.020 262 V CA -0.560 61.472 62.300 -0.447 0.000 0.850 262 V CB 1.085 32.495 31.823 -0.687 0.000 0.987 262 V HN 0.771 nan 8.190 nan 0.000 0.436 263 S N 5.185 120.857 115.700 -0.047 0.000 2.599 263 S HA 0.879 5.349 4.470 -0.000 0.000 0.287 263 S C -1.072 173.561 174.600 0.054 0.000 1.105 263 S CA -0.844 57.369 58.200 0.021 0.000 0.899 263 S CB 2.461 65.662 63.200 0.001 0.000 1.100 263 S HN 0.521 nan 8.310 nan 0.000 0.482 264 L N 2.103 123.305 121.223 -0.036 0.000 2.406 264 L HA 0.568 4.908 4.340 -0.000 0.000 0.270 264 L C -0.484 176.320 176.870 -0.110 0.000 0.982 264 L CA 0.121 54.843 54.840 -0.197 0.000 0.843 264 L CB 0.398 42.243 42.059 -0.358 0.000 1.225 264 L HN 0.762 nan 8.230 nan 0.000 0.412 265 N N 4.352 123.002 118.700 -0.084 0.000 2.727 265 N HA -0.207 4.533 4.740 -0.000 0.000 0.249 265 N C 0.930 176.424 175.510 -0.028 0.000 1.048 265 N CA 1.394 54.415 53.050 -0.049 0.000 0.714 265 N CB -1.058 37.393 38.487 -0.059 0.000 0.959 265 N HN 1.265 nan 8.380 nan 0.000 0.544 266 G N -2.652 106.137 108.800 -0.018 0.000 2.176 266 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.232 266 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.232 266 G C 0.056 174.951 174.900 -0.009 0.000 0.986 266 G CA 0.479 45.574 45.100 -0.009 0.000 0.643 266 G HN 0.498 nan 8.290 nan 0.000 0.522 267 T N 2.079 116.625 114.554 -0.013 0.000 2.791 267 T HA 0.531 4.881 4.350 -0.000 0.000 0.288 267 T C 0.320 175.018 174.700 -0.004 0.000 0.999 267 T CA 0.122 62.218 62.100 -0.008 0.000 0.952 267 T CB 1.570 70.433 68.868 -0.008 0.000 0.938 267 T HN 0.247 nan 8.240 nan 0.000 0.444 268 T N 3.013 117.564 114.554 -0.006 0.000 2.800 268 T HA 0.033 4.383 4.350 -0.000 0.000 0.283 268 T C 1.717 176.418 174.700 0.001 0.000 0.999 268 T CA 0.210 62.303 62.100 -0.011 0.000 1.176 268 T CB 0.190 69.049 68.868 -0.016 0.000 0.973 268 T HN 0.612 nan 8.240 nan 0.000 0.519 269 V N 1.308 121.227 119.914 0.009 0.000 2.922 269 V HA 0.389 4.509 4.120 -0.000 0.000 0.242 269 V C 0.855 176.946 176.094 -0.004 0.000 1.094 269 V CA 0.879 63.198 62.300 0.031 0.000 1.106 269 V CB 0.471 32.364 31.823 0.117 0.000 0.799 269 V HN 0.802 nan 8.190 nan 0.000 0.474 270 T N 0.411 114.938 114.554 -0.046 0.000 2.956 270 T HA 0.491 4.841 4.350 -0.000 0.000 0.312 270 T C -1.688 172.967 174.700 -0.074 0.000 1.151 270 T CA -0.426 61.639 62.100 -0.058 0.000 1.024 270 T CB 2.122 70.951 68.868 -0.064 0.000 1.140 270 T HN 0.493 nan 8.240 nan 0.000 0.473 271 E N 2.484 122.654 120.200 -0.050 0.000 2.241 271 E HA 0.548 4.898 4.350 -0.000 0.000 0.263 271 E C -0.828 175.753 176.600 -0.033 0.000 0.882 271 E CA -0.661 55.711 56.400 -0.046 0.000 0.769 271 E CB 2.085 31.765 29.700 -0.034 0.000 1.185 271 E HN 0.667 nan 8.360 nan 0.000 0.415 272 V N 0.413 120.309 119.914 -0.030 0.000 2.914 272 V HA 0.787 4.907 4.120 -0.000 0.000 0.314 272 V C -0.518 175.566 176.094 -0.018 0.000 1.084 272 V CA -0.911 61.379 62.300 -0.017 0.000 0.963 272 V CB 2.080 33.899 31.823 -0.006 0.000 1.025 272 V HN 0.681 nan 8.190 nan 0.000 0.432 273 K N 1.934 122.327 120.400 -0.013 0.000 2.533 273 K HA 0.780 5.100 4.320 -0.000 0.000 0.272 273 K C -1.572 175.023 176.600 -0.009 0.000 0.985 273 K CA -0.856 55.422 56.287 -0.014 0.000 0.876 273 K CB 2.719 35.210 32.500 -0.015 0.000 1.452 273 K HN 0.855 nan 8.250 nan 0.000 0.439 274 Q N 1.350 121.144 119.800 -0.009 0.000 2.443 274 Q HA 0.084 4.424 4.340 -0.000 0.000 0.258 274 Q C -1.480 174.517 176.000 -0.005 0.000 0.967 274 Q CA -0.625 55.175 55.803 -0.005 0.000 0.951 274 Q CB 2.011 30.749 28.738 -0.001 0.000 1.459 274 Q HN 0.638 nan 8.270 nan 0.000 0.415 275 Q N 1.974 121.772 119.800 -0.003 0.000 2.304 275 Q HA 0.408 4.748 4.340 -0.000 0.000 0.260 275 Q C 0.073 176.074 176.000 0.001 0.000 0.965 275 Q CA -0.038 55.764 55.803 -0.002 0.000 0.898 275 Q CB 1.305 30.043 28.738 -0.001 0.000 1.196 275 Q HN 0.495 nan 8.270 nan 0.000 0.402 276 V N -0.986 118.928 119.914 0.000 0.000 3.040 276 V HA 0.769 4.889 4.120 -0.000 0.000 0.312 276 V C -0.374 175.722 176.094 0.004 0.000 1.115 276 V CA -0.947 61.355 62.300 0.003 0.000 0.998 276 V CB 2.229 34.054 31.823 0.004 0.000 1.042 276 V HN 0.673 nan 8.190 nan 0.000 0.433 277 T N 3.727 118.285 114.554 0.006 0.000 2.770 277 T HA 0.659 5.009 4.350 -0.000 0.000 0.283 277 T C -0.311 174.394 174.700 0.008 0.000 0.988 277 T CA -0.249 61.856 62.100 0.007 0.000 0.957 277 T CB 0.921 69.794 68.868 0.007 0.000 0.930 277 T HN 0.644 nan 8.240 nan 0.000 0.443 278 L N 3.747 124.974 121.223 0.007 0.000 2.281 278 L HA 0.337 4.677 4.340 -0.000 0.000 0.285 278 L C 0.701 177.576 176.870 0.009 0.000 1.074 278 L CA -0.687 54.156 54.840 0.006 0.000 0.817 278 L CB 0.585 42.647 42.059 0.006 0.000 1.168 278 L HN 0.533 nan 8.230 nan 0.000 0.434 279 Q N 4.319 124.124 119.800 0.008 0.000 2.260 279 Q HA 0.327 4.667 4.340 -0.000 0.000 0.242 279 Q C -2.259 173.747 176.000 0.010 0.000 0.932 279 Q CA -1.968 53.841 55.803 0.010 0.000 0.891 279 Q CB 0.556 29.301 28.738 0.012 0.000 1.222 279 Q HN 0.335 nan 8.270 nan 0.000 0.453 280 P HA -0.033 nan 4.420 nan 0.000 0.267 280 P C 0.281 177.589 177.300 0.014 0.000 1.200 280 P CA 1.080 64.191 63.100 0.018 0.000 0.772 280 P CB 0.435 32.146 31.700 0.018 0.000 0.855 281 G N 2.522 111.332 108.800 0.017 0.000 2.512 281 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.240 281 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.240 281 G C -0.700 174.190 174.900 -0.016 0.000 1.246 281 G CA -0.653 44.452 45.100 0.008 0.000 0.919 281 G HN 0.519 nan 8.290 nan 0.000 0.577 282 I N 2.714 123.262 120.570 -0.036 0.000 2.416 282 I HA 0.255 4.424 4.170 -0.000 0.000 0.288 282 I C 0.339 176.371 176.117 -0.142 0.000 1.051 282 I CA -0.154 61.081 61.300 -0.108 0.000 1.375 282 I CB 0.138 38.062 38.000 -0.127 0.000 1.407 282 I HN 0.418 nan 8.210 nan 0.000 0.516 283 N N 6.079 124.670 118.700 -0.181 0.000 2.342 283 N HA 0.371 5.111 4.740 -0.000 0.000 0.293 283 N C -0.856 174.499 175.510 -0.259 0.000 1.026 283 N CA -0.660 52.301 53.050 -0.148 0.000 0.857 283 N CB 1.698 40.152 38.487 -0.055 0.000 1.256 283 N HN 0.519 nan 8.380 nan 0.000 0.484 284 H N 1.337 120.423 119.070 0.026 0.000 2.541 284 H HA 0.479 5.035 4.556 -0.000 0.000 0.316 284 H C -0.329 175.015 175.328 0.026 0.000 1.043 284 H CA -0.264 55.803 56.048 0.032 0.000 1.232 284 H CB 1.153 30.933 29.762 0.031 0.000 1.406 284 H HN 0.353 nan 8.280 nan 0.000 0.469 285 I N 2.663 123.309 120.570 0.126 0.000 2.509 285 I HA 0.351 4.521 4.170 -0.000 0.000 0.293 285 I C -0.376 175.792 176.117 0.084 0.000 1.020 285 I CA -0.541 60.806 61.300 0.077 0.000 1.088 285 I CB 2.236 40.258 38.000 0.036 0.000 1.267 285 I HN 0.507 nan 8.210 nan 0.000 0.430 286 T N 6.619 121.210 114.554 0.062 0.000 2.881 286 T HA 0.624 4.974 4.350 -0.000 0.000 0.291 286 T C -0.719 174.005 174.700 0.039 0.000 0.990 286 T CA -0.466 61.667 62.100 0.055 0.000 0.976 286 T CB 1.126 70.019 68.868 0.042 0.000 0.970 286 T HN 0.101 nan 8.240 nan 0.000 0.438 287 L N 5.869 127.121 121.223 0.047 0.000 2.333 287 L HA 0.551 4.891 4.340 -0.000 0.000 0.280 287 L C -2.242 174.654 176.870 0.044 0.000 1.004 287 L CA -2.159 52.704 54.840 0.037 0.000 0.820 287 L CB 1.176 43.255 42.059 0.033 0.000 1.247 287 L HN 0.328 nan 8.230 nan 0.000 0.416 288 P HA 0.546 nan 4.420 nan 0.000 0.276 288 P C -1.206 176.114 177.300 0.034 0.000 1.244 288 P CA -0.455 62.659 63.100 0.024 0.000 0.801 288 P CB 1.751 33.456 31.700 0.009 0.000 1.006 289 A N 1.234 124.079 122.820 0.043 0.000 2.594 289 A HA 0.621 4.941 4.320 -0.000 0.000 0.295 289 A C -1.196 176.405 177.584 0.029 0.000 1.071 289 A CA -0.568 51.491 52.037 0.037 0.000 0.685 289 A CB 1.427 20.462 19.000 0.058 0.000 1.285 289 A HN 0.511 nan 8.150 nan 0.000 0.405 290 E N -0.109 120.095 120.200 0.007 0.000 2.288 290 E HA 0.594 4.944 4.350 -0.000 0.000 0.268 290 E C -1.531 175.058 176.600 -0.017 0.000 0.885 290 E CA -0.865 55.534 56.400 -0.001 0.000 0.767 290 E CB 2.677 32.375 29.700 -0.003 0.000 1.220 290 E HN 0.334 nan 8.360 nan 0.000 0.427 291 V N 2.370 122.268 119.914 -0.026 0.000 2.349 291 V HA 0.211 4.331 4.120 -0.000 0.000 0.284 291 V C 0.043 176.133 176.094 -0.007 0.000 1.014 291 V CA -0.807 61.468 62.300 -0.041 0.000 0.826 291 V CB 1.241 32.977 31.823 -0.146 0.000 1.009 291 V HN 0.840 nan 8.190 nan 0.000 0.431 292 T N 1.897 116.459 114.554 0.014 0.000 2.907 292 T HA 0.245 4.595 4.350 -0.000 0.000 0.298 292 T C 0.548 175.275 174.700 0.045 0.000 1.017 292 T CA -0.371 61.743 62.100 0.024 0.000 1.118 292 T CB 0.313 69.194 68.868 0.022 0.000 0.948 292 T HN 0.694 nan 8.240 nan 0.000 0.531 293 N N 1.216 119.942 118.700 0.044 0.000 2.714 293 N HA -0.100 4.640 4.740 -0.000 0.000 0.253 293 N C -2.490 173.077 175.510 0.095 0.000 1.024 293 N CA 0.461 53.547 53.050 0.060 0.000 0.726 293 N CB -1.373 37.146 38.487 0.054 0.000 0.908 293 N HN 0.656 nan 8.380 nan 0.000 0.542 294 P HA 0.052 nan 4.420 nan 0.000 0.268 294 P C 0.140 177.561 177.300 0.201 0.000 1.204 294 P CA -0.093 63.092 63.100 0.141 0.000 0.768 294 P CB 0.755 32.490 31.700 0.058 0.000 0.842 295 V N 5.414 125.528 119.914 0.334 0.000 2.405 295 V HA 0.139 4.259 4.120 -0.000 0.000 0.264 295 V C 1.334 177.615 176.094 0.311 0.000 1.048 295 V CA -0.247 62.210 62.300 0.262 0.000 0.966 295 V CB -0.465 31.461 31.823 0.171 0.000 1.015 295 V HN 0.469 nan 8.190 nan 0.000 0.477 296 R N 3.085 123.717 120.500 0.220 0.000 2.594 296 R HA 0.136 4.476 4.340 -0.000 0.000 0.272 296 R C -0.382 176.090 176.300 0.287 0.000 1.074 296 R CA -0.405 55.843 56.100 0.247 0.000 1.105 296 R CB 0.885 31.299 30.300 0.190 0.000 1.008 296 R HN 0.785 nan 8.270 nan 0.000 0.472 297 W N 4.532 125.918 121.300 0.144 0.000 2.304 297 W HA 0.142 4.802 4.660 -0.000 0.000 0.313 297 W C -0.816 175.782 176.519 0.132 0.000 1.323 297 W CA -0.234 57.185 57.345 0.124 0.000 1.223 297 W CB 0.660 30.187 29.460 0.112 0.000 1.237 297 W HN 0.234 nan 8.180 nan 0.000 0.535 298 M N 9.127 128.581 119.600 -0.243 0.000 2.528 298 M HA 0.361 4.841 4.480 -0.000 0.000 0.321 298 M C -1.978 173.907 176.300 -0.691 0.000 1.153 298 M CA -2.653 52.526 55.300 -0.201 0.000 0.951 298 M CB 1.643 34.276 32.600 0.055 0.000 1.705 298 M HN 0.262 nan 8.290 nan 0.000 0.451 299 P HA -0.001 nan 4.420 nan 0.000 0.269 299 P C -0.557 176.550 177.300 -0.323 0.000 1.217 299 P CA -0.152 62.674 63.100 -0.457 0.000 0.783 299 P CB 0.154 31.652 31.700 -0.337 0.000 0.898 300 N N 0.524 119.055 118.700 -0.281 0.000 2.411 300 N HA 0.188 4.928 4.740 -0.000 0.000 0.265 300 N C 1.331 176.748 175.510 -0.155 0.000 1.266 300 N CA 1.783 54.729 53.050 -0.174 0.000 0.889 300 N CB -0.587 37.829 38.487 -0.119 0.000 1.069 300 N HN 0.732 nan 8.380 nan 0.000 0.476 301 G N 2.636 111.406 108.800 -0.051 0.000 2.232 301 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.226 301 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.226 301 G C 0.298 175.343 174.900 0.242 0.000 0.996 301 G CA 0.116 45.236 45.100 0.033 0.000 0.626 301 G HN 0.568 nan 8.290 nan 0.000 0.509 302 W N 1.618 122.878 121.300 -0.067 0.000 3.005 302 W HA 0.590 5.250 4.660 -0.000 0.000 0.374 302 W C 1.223 177.702 176.519 -0.068 0.000 1.076 302 W CA 0.360 57.673 57.345 -0.055 0.000 1.794 302 W CB 0.237 29.669 29.460 -0.048 0.000 1.113 302 W HN 1.163 nan 8.180 nan 0.000 0.584 303 G N -0.389 108.475 108.800 0.106 0.000 2.293 303 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.282 303 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.282 303 G C -0.688 174.185 174.900 -0.045 0.000 1.299 303 G CA -0.979 44.137 45.100 0.025 0.000 1.018 303 G HN -0.254 nan 8.290 nan 0.000 0.478 304 T N 3.179 117.703 114.554 -0.050 0.000 2.870 304 T HA 0.487 4.837 4.350 -0.000 0.000 0.300 304 T C -2.104 172.490 174.700 -0.177 0.000 0.989 304 T CA -0.094 61.958 62.100 -0.079 0.000 1.139 304 T CB 1.531 70.379 68.868 -0.033 0.000 0.920 304 T HN 0.470 nan 8.240 nan 0.000 0.537 305 P HA 0.165 nan 4.420 nan 0.000 0.225 305 P C -0.422 176.857 177.300 -0.036 0.000 1.830 305 P CA -0.504 62.280 63.100 -0.526 0.000 1.051 305 P CB -0.641 30.740 31.700 -0.531 0.000 1.929 306 T N 3.557 118.161 114.554 0.082 0.000 2.853 306 T HA 0.209 4.559 4.350 -0.000 0.000 0.298 306 T C 0.488 175.380 174.700 0.320 0.000 0.978 306 T CA 0.329 62.524 62.100 0.157 0.000 1.152 306 T CB 0.215 69.163 68.868 0.133 0.000 0.914 306 T HN 0.192 nan 8.240 nan 0.000 0.539 307 L N 3.842 125.189 121.223 0.207 0.000 2.325 307 L HA 0.459 4.799 4.340 -0.000 0.000 0.281 307 L C -0.490 176.477 176.870 0.163 0.000 1.004 307 L CA -1.063 53.923 54.840 0.243 0.000 0.823 307 L CB 0.988 43.172 42.059 0.208 0.000 1.236 307 L HN 0.643 nan 8.230 nan 0.000 0.415 308 Y N 1.141 121.567 120.300 0.209 0.000 2.301 308 Y HA 0.163 4.713 4.550 -0.000 0.000 0.328 308 Y C 0.427 176.495 175.900 0.279 0.000 1.242 308 Y CA -0.412 57.837 58.100 0.249 0.000 1.323 308 Y CB 0.917 39.615 38.460 0.397 0.000 1.266 308 Y HN 0.459 nan 8.280 nan 0.000 0.527 309 D N 2.541 123.150 120.400 0.348 0.000 2.317 309 D HA 0.190 4.830 4.640 -0.000 0.000 0.234 309 D C -1.270 175.212 176.300 0.304 0.000 1.112 309 D CA -0.015 54.156 54.000 0.284 0.000 0.840 309 D CB 0.900 41.784 40.800 0.139 0.000 1.078 309 D HN 0.219 nan 8.370 nan 0.000 0.486 310 F N 1.068 121.104 119.950 0.143 0.000 2.426 310 F HA 0.220 4.747 4.527 0.001 0.000 0.348 310 F C 0.619 176.555 175.800 0.227 0.000 1.124 310 F CA -0.617 57.490 58.000 0.179 0.000 1.008 310 F CB 1.938 41.037 39.000 0.166 0.000 1.139 310 F HN 0.030 nan 8.300 nan 0.000 0.452 311 S N 3.036 118.887 115.700 0.252 0.000 2.605 311 S HA 0.856 5.326 4.470 -0.000 0.000 0.308 311 S C -0.858 173.737 174.600 -0.008 0.000 1.113 311 S CA -0.459 57.818 58.200 0.128 0.000 1.049 311 S CB 0.756 63.983 63.200 0.045 0.000 1.001 311 S HN 0.752 nan 8.310 nan 0.000 0.480 312 A N 4.623 127.322 122.820 -0.202 0.000 2.288 312 A HA 0.732 5.052 4.320 -0.000 0.000 0.320 312 A C -0.494 176.944 177.584 -0.243 0.000 1.217 312 A CA -0.606 51.188 52.037 -0.405 0.000 0.840 312 A CB 0.848 19.217 19.000 -1.052 0.000 1.179 312 A HN 0.821 nan 8.150 nan 0.000 0.504 313 Q N 1.422 121.124 119.800 -0.163 0.000 2.365 313 Q HA 0.504 4.844 4.340 -0.000 0.000 0.269 313 Q C -1.130 174.815 176.000 -0.092 0.000 1.061 313 Q CA -0.861 54.878 55.803 -0.108 0.000 0.816 313 Q CB 2.471 31.168 28.738 -0.068 0.000 1.325 313 Q HN 0.617 nan 8.270 nan 0.000 0.446 314 I N 1.932 122.460 120.570 -0.070 0.000 2.307 314 I HA 0.424 4.594 4.170 -0.000 0.000 0.289 314 I C -0.249 175.853 176.117 -0.025 0.000 1.021 314 I CA -0.448 60.825 61.300 -0.045 0.000 1.224 314 I CB 0.649 38.627 38.000 -0.036 0.000 1.376 314 I HN 0.583 nan 8.210 nan 0.000 0.470 315 A N 6.364 129.172 122.820 -0.021 0.000 2.260 315 A HA 0.563 4.883 4.320 -0.000 0.000 0.314 315 A C -0.476 177.106 177.584 -0.004 0.000 1.257 315 A CA -0.322 51.708 52.037 -0.011 0.000 0.871 315 A CB 0.512 19.504 19.000 -0.014 0.000 1.166 315 A HN 0.761 nan 8.150 nan 0.000 0.522 316 C N 3.396 122.697 119.300 0.002 0.000 2.362 316 C HA 0.727 5.187 4.460 -0.000 0.000 0.309 316 C C 1.262 176.255 174.990 0.005 0.000 1.110 316 C CA 0.292 59.313 59.018 0.005 0.000 1.485 316 C CB -0.698 27.049 27.740 0.012 0.000 1.949 316 C HN 1.759 nan 8.230 nan 0.000 0.419 317 G N 3.692 112.493 108.800 0.002 0.000 2.550 317 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.277 317 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.277 317 G C 0.671 175.571 174.900 0.000 0.000 1.190 317 G CA 0.658 45.759 45.100 0.001 0.000 0.971 317 G HN 0.468 nan 8.290 nan 0.000 0.559 318 D N 1.523 121.924 120.400 0.001 0.000 2.315 318 D HA -0.043 4.597 4.640 -0.000 0.000 0.211 318 D C 1.564 177.865 176.300 0.002 0.000 0.977 318 D CA 1.058 55.059 54.000 0.001 0.000 0.894 318 D CB -0.040 40.762 40.800 0.002 0.000 0.910 318 D HN 0.447 nan 8.370 nan 0.000 0.490 319 R N 0.616 121.118 120.500 0.004 0.000 2.294 319 R HA 0.303 4.643 4.340 -0.000 0.000 0.319 319 R C -0.178 176.126 176.300 0.006 0.000 0.984 319 R CA -0.688 55.416 56.100 0.008 0.000 0.861 319 R CB 1.686 31.994 30.300 0.013 0.000 1.104 319 R HN -0.107 nan 8.270 nan 0.000 0.451 320 I N 5.414 125.987 120.570 0.005 0.000 2.278 320 I HA -0.013 4.157 4.170 -0.000 0.000 0.296 320 I C 1.638 177.763 176.117 0.013 0.000 1.121 320 I CA 0.042 61.342 61.300 0.001 0.000 1.267 320 I CB 0.569 38.565 38.000 -0.006 0.000 1.447 320 I HN 0.565 nan 8.210 nan 0.000 0.509 321 V N 3.177 123.103 119.914 0.019 0.000 2.788 321 V HA 0.359 4.479 4.120 -0.000 0.000 0.251 321 V C 0.903 177.021 176.094 0.040 0.000 1.068 321 V CA 0.698 63.026 62.300 0.046 0.000 1.090 321 V CB -0.324 31.535 31.823 0.060 0.000 0.710 321 V HN 0.673 nan 8.190 nan 0.000 0.467 322 A N -0.036 122.785 122.820 0.001 0.000 2.459 322 A HA 0.753 5.073 4.320 -0.000 0.000 0.296 322 A C -0.844 176.709 177.584 -0.052 0.000 1.039 322 A CA -0.435 51.584 52.037 -0.031 0.000 0.698 322 A CB 1.861 20.831 19.000 -0.050 0.000 1.261 322 A HN 0.284 nan 8.150 nan 0.000 0.405 323 E N 1.247 121.414 120.200 -0.056 0.000 2.340 323 E HA 0.622 4.972 4.350 -0.000 0.000 0.273 323 E C -1.716 174.838 176.600 -0.078 0.000 0.891 323 E CA -0.388 55.969 56.400 -0.071 0.000 0.757 323 E CB 2.268 31.941 29.700 -0.046 0.000 1.231 323 E HN 0.668 nan 8.360 nan 0.000 0.439 324 Q N 1.123 120.862 119.800 -0.101 0.000 2.309 324 Q HA 0.479 4.819 4.340 -0.000 0.000 0.273 324 Q C -1.931 174.049 176.000 -0.033 0.000 1.040 324 Q CA -0.391 55.364 55.803 -0.080 0.000 0.834 324 Q CB 2.085 30.790 28.738 -0.055 0.000 1.345 324 Q HN 0.330 nan 8.270 nan 0.000 0.414 325 S N 2.843 118.490 115.700 -0.088 0.000 2.513 325 S HA 0.701 5.171 4.470 -0.000 0.000 0.299 325 S C -1.419 173.019 174.600 -0.270 0.000 1.087 325 S CA -0.668 57.512 58.200 -0.033 0.000 1.012 325 S CB 0.717 63.924 63.200 0.011 0.000 1.044 325 S HN 0.569 nan 8.310 nan 0.000 0.485 326 H N 1.250 120.397 119.070 0.127 0.000 2.797 326 H HA 0.435 4.991 4.556 0.000 0.000 0.372 326 H C -0.429 174.920 175.328 0.036 0.000 1.168 326 H CA -0.811 55.226 56.048 -0.019 0.000 1.163 326 H CB 1.223 30.865 29.762 -0.200 0.000 1.778 326 H HN 0.403 nan 8.280 nan 0.000 0.551 327 R N 1.482 122.059 120.500 0.128 0.000 2.265 327 R HA 0.348 4.688 4.340 -0.000 0.000 0.314 327 R C -0.279 176.044 176.300 0.037 0.000 1.053 327 R CA -0.531 55.643 56.100 0.123 0.000 0.931 327 R CB 0.806 31.170 30.300 0.107 0.000 1.024 327 R HN 0.322 nan 8.270 nan 0.000 0.457 328 I N 2.144 122.768 120.570 0.091 0.000 2.389 328 I HA 0.263 4.433 4.170 -0.000 0.000 0.288 328 I C 0.641 176.799 176.117 0.068 0.000 0.999 328 I CA -0.472 60.774 61.300 -0.089 0.000 1.129 328 I CB 1.593 39.298 38.000 -0.492 0.000 1.288 328 I HN 0.676 nan 8.210 nan 0.000 0.444 329 G N 6.956 115.713 108.800 -0.073 0.000 2.322 329 G HA2 0.587 4.546 3.960 -0.000 0.000 0.309 329 G HA3 0.587 4.546 3.960 -0.000 0.000 0.309 329 G C -0.477 174.432 174.900 0.014 0.000 1.121 329 G CA -0.499 44.620 45.100 0.032 0.000 0.886 329 G HN 0.501 nan 8.290 nan 0.000 0.447 330 L N 4.373 125.695 121.223 0.164 0.000 2.268 330 L HA 0.565 4.905 4.340 -0.000 0.000 0.289 330 L C 0.372 177.336 176.870 0.157 0.000 1.064 330 L CA -0.756 54.132 54.840 0.081 0.000 0.824 330 L CB 0.190 42.281 42.059 0.054 0.000 1.202 330 L HN 0.615 nan 8.230 nan 0.000 0.433 331 R N 1.677 122.239 120.500 0.104 0.000 2.712 331 R HA 0.496 4.836 4.340 -0.000 0.000 0.272 331 R C -1.122 175.234 176.300 0.094 0.000 1.032 331 R CA -0.747 55.453 56.100 0.167 0.000 0.874 331 R CB 1.120 31.615 30.300 0.325 0.000 1.256 331 R HN 0.357 nan 8.270 nan 0.000 0.468 332 T N -0.705 113.918 114.554 0.116 0.000 2.824 332 T HA 0.738 5.088 4.350 -0.000 0.000 0.280 332 T C 0.239 175.010 174.700 0.117 0.000 0.995 332 T CA -0.757 61.392 62.100 0.083 0.000 1.009 332 T CB 0.811 69.718 68.868 0.065 0.000 0.955 332 T HN 0.482 nan 8.240 nan 0.000 0.452 333 I N 2.547 123.169 120.570 0.086 0.000 2.418 333 I HA 0.487 4.657 4.170 -0.000 0.000 0.287 333 I C 0.022 176.161 176.117 0.037 0.000 1.008 333 I CA -0.896 60.468 61.300 0.107 0.000 1.104 333 I CB 2.028 40.107 38.000 0.133 0.000 1.264 333 I HN 0.579 nan 8.210 nan 0.000 0.438 334 R N 5.729 126.222 120.500 -0.012 0.000 2.393 334 R HA 0.600 4.940 4.340 -0.000 0.000 0.315 334 R C -1.456 174.630 176.300 -0.356 0.000 0.952 334 R CA -0.554 55.463 56.100 -0.139 0.000 0.842 334 R CB 1.744 31.973 30.300 -0.118 0.000 1.163 334 R HN 0.434 nan 8.270 nan 0.000 0.450 335 V N 5.647 125.202 119.914 -0.598 0.000 2.455 335 V HA 0.167 4.287 4.120 -0.000 0.000 0.273 335 V C -0.068 175.366 176.094 -1.099 0.000 1.045 335 V CA -0.439 61.148 62.300 -1.188 0.000 0.976 335 V CB 1.381 32.124 31.823 -1.799 0.000 0.993 335 V HN 0.487 nan 8.190 nan 0.000 0.475 336 V N 5.728 124.944 119.914 -1.164 0.000 2.350 336 V HA 0.369 4.489 4.120 -0.000 0.000 0.276 336 V C 0.327 175.932 176.094 -0.815 0.000 1.028 336 V CA -0.421 61.320 62.300 -0.932 0.000 0.860 336 V CB 1.138 32.298 31.823 -1.104 0.000 0.990 336 V HN 0.949 nan 8.190 nan 0.000 0.453 337 N N 4.467 122.844 118.700 -0.537 0.000 2.648 337 N HA 0.365 5.104 4.740 -0.000 0.000 0.261 337 N C -1.021 174.427 175.510 -0.102 0.000 1.138 337 N CA -0.290 52.581 53.050 -0.299 0.000 0.804 337 N CB 1.245 39.519 38.487 -0.356 0.000 1.237 337 N HN 0.778 nan 8.380 nan 0.000 0.532 338 E N 1.642 121.826 120.200 -0.026 0.000 2.356 338 E HA 0.246 4.596 4.350 -0.000 0.000 0.275 338 E C -0.928 175.712 176.600 0.066 0.000 0.904 338 E CA -0.857 55.551 56.400 0.015 0.000 0.757 338 E CB 2.488 32.189 29.700 0.002 0.000 1.232 338 E HN 0.274 nan 8.360 nan 0.000 0.442 339 K N 2.341 122.782 120.400 0.068 0.000 2.484 339 K HA 0.008 4.328 4.320 -0.000 0.000 0.280 339 K C -0.416 176.229 176.600 0.074 0.000 1.013 339 K CA 0.877 57.210 56.287 0.077 0.000 1.029 339 K CB 0.163 32.703 32.500 0.066 0.000 0.902 339 K HN 0.496 nan 8.250 nan 0.000 0.481 340 D N 0.241 120.689 120.400 0.080 0.000 2.752 340 D HA 0.046 4.686 4.640 -0.000 0.000 0.313 340 D C 0.269 176.617 176.300 0.080 0.000 1.225 340 D CA -0.887 53.160 54.000 0.078 0.000 0.976 340 D CB 0.250 41.101 40.800 0.085 0.000 1.443 340 D HN 0.321 nan 8.370 nan 0.000 0.515 341 K N -0.978 119.472 120.400 0.082 0.000 2.360 341 K HA -0.072 4.248 4.320 -0.000 0.000 0.201 341 K C 0.131 176.795 176.600 0.107 0.000 1.046 341 K CA 1.304 57.643 56.287 0.087 0.000 0.945 341 K CB -0.151 32.399 32.500 0.084 0.000 0.750 341 K HN 0.223 nan 8.250 nan 0.000 0.464 342 D N -0.268 120.202 120.400 0.117 0.000 2.379 342 D HA 0.143 4.783 4.640 -0.000 0.000 0.208 342 D C 0.981 177.359 176.300 0.131 0.000 1.065 342 D CA 0.887 54.982 54.000 0.160 0.000 0.848 342 D CB 1.360 42.271 40.800 0.185 0.000 0.949 342 D HN 0.480 nan 8.370 nan 0.000 0.509 343 G N 0.862 109.722 108.800 0.099 0.000 1.812 343 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.053 343 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.053 343 G C -1.104 173.860 174.900 0.107 0.000 0.844 343 G CA -0.686 44.474 45.100 0.101 0.000 1.151 343 G HN 0.120 nan 8.290 nan 0.000 0.362 344 E N 1.122 121.395 120.200 0.121 0.000 2.281 344 E HA 0.510 4.860 4.350 -0.000 0.000 0.266 344 E C -0.150 176.557 176.600 0.177 0.000 0.893 344 E CA -0.124 56.375 56.400 0.165 0.000 0.798 344 E CB 2.046 31.900 29.700 0.257 0.000 1.245 344 E HN 0.736 nan 8.360 nan 0.000 0.410 345 S N 2.159 117.953 115.700 0.158 0.000 2.569 345 S HA 0.271 4.741 4.470 -0.000 0.000 0.274 345 S C -0.231 174.528 174.600 0.264 0.000 1.353 345 S CA -0.231 58.092 58.200 0.205 0.000 1.023 345 S CB 0.524 63.881 63.200 0.261 0.000 0.876 345 S HN 0.484 nan 8.310 nan 0.000 0.540 346 F N 3.164 123.193 119.950 0.132 0.000 3.034 346 F HA 0.509 5.036 4.527 0.000 0.000 0.371 346 F C -1.088 174.783 175.800 0.118 0.000 1.233 346 F CA -0.662 57.328 58.000 -0.016 0.000 1.134 346 F CB 0.916 39.930 39.000 0.024 0.000 1.495 346 F HN 0.826 nan 8.300 nan 0.000 0.563 347 Y N 2.069 122.175 120.300 -0.324 0.000 2.670 347 Y HA 0.738 5.288 4.550 -0.000 0.000 0.334 347 Y C -2.097 173.559 175.900 -0.406 0.000 1.185 347 Y CA -2.287 55.758 58.100 -0.091 0.000 1.053 347 Y CB 1.050 39.575 38.460 0.108 0.000 1.298 347 Y HN 0.191 nan 8.280 nan 0.000 0.459 348 F N 1.237 121.232 119.950 0.074 0.000 2.421 348 F HA 0.467 4.994 4.527 -0.000 0.000 0.337 348 F C 0.082 175.971 175.800 0.149 0.000 1.105 348 F CA -0.546 57.441 58.000 -0.022 0.000 1.049 348 F CB 1.795 40.812 39.000 0.028 0.000 1.139 348 F HN 0.505 nan 8.300 nan 0.000 0.479 349 E N 2.573 122.883 120.200 0.183 0.000 2.129 349 E HA 0.491 4.841 4.350 -0.000 0.000 0.268 349 E C -1.452 175.299 176.600 0.253 0.000 0.900 349 E CA -0.536 56.008 56.400 0.241 0.000 0.755 349 E CB 1.670 31.438 29.700 0.113 0.000 1.117 349 E HN 0.360 nan 8.360 nan 0.000 0.410 350 V N 4.903 125.030 119.914 0.355 0.000 2.459 350 V HA 0.154 4.274 4.120 -0.000 0.000 0.295 350 V C 0.269 176.580 176.094 0.363 0.000 1.029 350 V CA -0.972 61.550 62.300 0.369 0.000 0.874 350 V CB 1.536 33.606 31.823 0.412 0.000 0.985 350 V HN 0.819 nan 8.190 nan 0.000 0.438 351 N N 4.046 122.904 118.700 0.264 0.000 2.701 351 N HA -0.251 4.489 4.740 -0.000 0.000 0.252 351 N C 1.223 176.813 175.510 0.134 0.000 1.002 351 N CA 1.358 54.519 53.050 0.185 0.000 0.758 351 N CB -0.842 37.755 38.487 0.183 0.000 0.937 351 N HN 1.508 nan 8.380 nan 0.000 0.538 352 G N -1.419 107.464 108.800 0.138 0.000 2.179 352 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.260 352 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.260 352 G C 0.055 175.030 174.900 0.126 0.000 0.977 352 G CA 0.448 45.613 45.100 0.107 0.000 0.641 352 G HN 0.503 nan 8.290 nan 0.000 0.533 353 I N 1.608 122.286 120.570 0.180 0.000 2.406 353 I HA 0.392 4.562 4.170 -0.000 0.000 0.290 353 I C -2.356 173.995 176.117 0.391 0.000 0.999 353 I CA -2.716 58.699 61.300 0.190 0.000 1.124 353 I CB 2.240 40.217 38.000 -0.040 0.000 1.289 353 I HN -0.209 nan 8.210 nan 0.000 0.441 354 P HA 0.119 nan 4.420 nan 0.000 0.266 354 P C -0.758 176.828 177.300 0.476 0.000 1.215 354 P CA 0.001 63.344 63.100 0.405 0.000 0.763 354 P CB 0.469 32.293 31.700 0.206 0.000 0.806 355 M N 5.513 125.376 119.600 0.438 0.000 2.125 355 M HA 0.364 4.844 4.480 -0.000 0.000 0.321 355 M C -1.067 175.351 176.300 0.197 0.000 0.983 355 M CA -1.157 54.284 55.300 0.234 0.000 0.934 355 M CB 0.639 33.179 32.600 -0.100 0.000 1.542 355 M HN 0.155 nan 8.290 nan 0.000 0.424 356 F N 4.251 124.225 119.950 0.041 0.000 2.504 356 F HA 0.469 4.996 4.527 -0.000 0.000 0.369 356 F C 0.059 175.789 175.800 -0.117 0.000 1.082 356 F CA -0.200 57.801 58.000 0.002 0.000 1.216 356 F CB 0.638 39.623 39.000 -0.024 0.000 1.108 356 F HN 0.660 nan 8.300 nan 0.000 0.554 357 A N 6.963 129.514 122.820 -0.449 0.000 2.328 357 A HA 0.476 4.795 4.320 -0.000 0.000 0.284 357 A C -0.623 176.715 177.584 -0.410 0.000 1.160 357 A CA -0.609 51.223 52.037 -0.343 0.000 0.818 357 A CB 0.329 19.237 19.000 -0.153 0.000 1.087 357 A HN 0.825 nan 8.150 nan 0.000 0.504 358 K N 2.017 122.164 120.400 -0.422 0.000 2.579 358 K HA 0.589 4.909 4.320 -0.000 0.000 0.250 358 K C 0.110 176.363 176.600 -0.578 0.000 0.952 358 K CA -0.020 55.757 56.287 -0.849 0.000 0.857 358 K CB 2.021 33.765 32.500 -1.259 0.000 1.123 358 K HN 1.071 nan 8.250 nan 0.000 0.433 359 G N 1.156 109.828 108.800 -0.213 0.000 2.485 359 G HA2 0.674 4.634 3.960 -0.000 0.000 0.182 359 G HA3 0.674 4.634 3.960 -0.000 0.000 0.182 359 G C -1.775 173.051 174.900 -0.124 0.000 1.172 359 G CA -0.053 45.041 45.100 -0.011 0.000 0.996 359 G HN 0.630 nan 8.290 nan 0.000 0.496 360 A N -0.947 121.668 122.820 -0.342 0.000 2.610 360 A HA 0.751 5.071 4.320 -0.000 0.000 0.291 360 A C -1.252 176.045 177.584 -0.479 0.000 1.086 360 A CA -0.677 50.947 52.037 -0.689 0.000 0.677 360 A CB 1.038 19.318 19.000 -1.200 0.000 1.278 360 A HN 0.563 nan 8.150 nan 0.000 0.414 361 N N 0.556 118.915 118.700 -0.568 0.000 2.472 361 N HA 0.338 5.078 4.740 -0.000 0.000 0.277 361 N C -1.598 173.550 175.510 -0.602 0.000 1.081 361 N CA 0.318 53.075 53.050 -0.488 0.000 0.973 361 N CB 1.286 39.509 38.487 -0.440 0.000 1.105 361 N HN 0.625 nan 8.380 nan 0.000 0.470 362 Y N 3.646 123.655 120.300 -0.485 0.000 2.331 362 Y HA 0.464 5.014 4.550 0.000 0.000 0.338 362 Y C -0.101 175.548 175.900 -0.418 0.000 0.992 362 Y CA -0.867 56.964 58.100 -0.449 0.000 1.121 362 Y CB 0.610 38.917 38.460 -0.256 0.000 1.184 362 Y HN 0.441 nan 8.280 nan 0.000 0.469 363 I N 3.984 123.848 120.570 -1.177 0.000 3.023 363 I HA 0.765 4.934 4.170 -0.000 0.000 0.312 363 I C -2.819 172.566 176.117 -1.221 0.000 1.056 363 I CA -3.230 57.471 61.300 -0.999 0.000 1.033 363 I CB 1.972 39.174 38.000 -1.329 0.000 1.233 363 I HN 0.380 nan 8.210 nan 0.000 0.462 364 P HA 0.075 nan 4.420 nan 0.000 0.267 364 P C -0.596 176.403 177.300 -0.502 0.000 1.200 364 P CA 0.153 62.870 63.100 -0.639 0.000 0.772 364 P CB 0.421 31.635 31.700 -0.810 0.000 0.855 365 Q N 0.319 119.939 119.800 -0.299 0.000 2.451 365 Q HA 0.043 4.383 4.340 -0.000 0.000 0.206 365 Q C 0.274 176.285 176.000 0.018 0.000 0.947 365 Q CA 0.852 56.538 55.803 -0.195 0.000 0.937 365 Q CB 0.249 28.861 28.738 -0.209 0.000 1.025 365 Q HN 0.502 nan 8.270 nan 0.000 0.511 366 D N -2.286 118.175 120.400 0.102 0.000 2.654 366 D HA 0.259 4.899 4.640 -0.000 0.000 0.231 366 D C -0.475 176.027 176.300 0.336 0.000 1.239 366 D CA -0.123 54.054 54.000 0.294 0.000 0.790 366 D CB 1.562 42.544 40.800 0.303 0.000 1.480 366 D HN -0.075 nan 8.370 nan 0.000 0.442 367 A N 2.052 125.085 122.820 0.356 0.000 2.015 367 A HA 0.059 4.379 4.320 -0.000 0.000 0.219 367 A C 1.001 178.649 177.584 0.106 0.000 1.163 367 A CA 0.891 53.072 52.037 0.240 0.000 0.646 367 A CB -0.098 19.015 19.000 0.187 0.000 0.806 367 A HN 0.460 nan 8.150 nan 0.000 0.448 368 L N 0.629 121.951 121.223 0.165 0.000 2.337 368 L HA 0.295 4.635 4.340 -0.000 0.000 0.269 368 L C 0.640 177.601 176.870 0.151 0.000 1.018 368 L CA -0.474 54.413 54.840 0.079 0.000 0.876 368 L CB 1.252 43.328 42.059 0.028 0.000 1.236 368 L HN 0.235 nan 8.230 nan 0.000 0.436 369 L N 3.119 124.445 121.223 0.172 0.000 2.013 369 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 369 L C -0.435 176.607 176.870 0.287 0.000 1.073 369 L CA 1.565 56.567 54.840 0.271 0.000 0.753 369 L CB -1.083 41.191 42.059 0.358 0.000 0.890 369 L HN 0.520 nan 8.230 nan 0.000 0.432 370 P HA -0.043 nan 4.420 nan 0.000 0.239 370 P C 0.688 178.076 177.300 0.147 0.000 1.184 370 P CA 0.798 64.013 63.100 0.192 0.000 0.760 370 P CB -0.041 31.735 31.700 0.126 0.000 0.884 371 N N -0.948 117.838 118.700 0.143 0.000 2.457 371 N HA -0.023 4.717 4.740 -0.000 0.000 0.180 371 N C 0.138 175.728 175.510 0.135 0.000 1.050 371 N CA 0.422 53.548 53.050 0.127 0.000 0.906 371 N CB -0.364 38.203 38.487 0.133 0.000 0.968 371 N HN 0.015 nan 8.380 nan 0.000 0.445 372 V N 2.275 122.283 119.914 0.156 0.000 2.470 372 V HA 0.095 4.215 4.120 -0.000 0.000 0.276 372 V C 0.859 177.082 176.094 0.215 0.000 1.040 372 V CA -0.288 62.084 62.300 0.121 0.000 1.008 372 V CB 0.361 32.209 31.823 0.043 0.000 0.990 372 V HN 0.248 nan 8.190 nan 0.000 0.477 373 T N 1.245 115.902 114.554 0.172 0.000 2.862 373 T HA 0.208 4.558 4.350 -0.000 0.000 0.276 373 T C 1.345 176.225 174.700 0.301 0.000 0.974 373 T CA -0.064 62.155 62.100 0.199 0.000 0.966 373 T CB 1.166 70.110 68.868 0.127 0.000 1.072 373 T HN 0.539 nan 8.240 nan 0.000 0.538 374 T N 0.883 115.570 114.554 0.223 0.000 2.720 374 T HA -0.116 4.234 4.350 -0.000 0.000 0.268 374 T C 1.771 176.594 174.700 0.204 0.000 1.037 374 T CA 1.896 64.118 62.100 0.202 0.000 1.144 374 T CB -0.470 68.460 68.868 0.103 0.000 0.864 374 T HN 0.715 nan 8.240 nan 0.000 0.444 375 E N 0.851 121.138 120.200 0.146 0.000 2.077 375 E HA -0.036 4.314 4.350 -0.000 0.000 0.193 375 E C 2.423 179.090 176.600 0.112 0.000 0.989 375 E CA 0.931 57.398 56.400 0.112 0.000 0.800 375 E CB -0.172 29.576 29.700 0.081 0.000 0.746 375 E HN 0.395 nan 8.360 nan 0.000 0.452 376 R N -0.732 119.828 120.500 0.100 0.000 2.081 376 R HA -0.120 4.220 4.340 -0.000 0.000 0.235 376 R C 2.130 178.446 176.300 0.027 0.000 1.131 376 R CA 1.279 57.392 56.100 0.022 0.000 0.960 376 R CB -0.414 29.855 30.300 -0.052 0.000 0.856 376 R HN 0.242 nan 8.270 nan 0.000 0.436 377 Y N 1.365 121.732 120.300 0.112 0.000 2.128 377 Y HA -0.280 4.270 4.550 0.000 0.000 0.284 377 Y C 2.567 178.578 175.900 0.184 0.000 1.154 377 Y CA 1.718 59.919 58.100 0.167 0.000 1.149 377 Y CB -0.313 38.244 38.460 0.162 0.000 0.976 377 Y HN 0.130 nan 8.280 nan 0.000 0.505 378 Q N -1.008 118.962 119.800 0.283 0.000 2.096 378 Q HA -0.182 4.158 4.340 -0.000 0.000 0.204 378 Q C 2.154 178.253 176.000 0.166 0.000 0.982 378 Q CA 2.155 58.072 55.803 0.190 0.000 0.850 378 Q CB -0.453 28.357 28.738 0.119 0.000 0.901 378 Q HN 0.421 nan 8.270 nan 0.000 0.422 379 T N 1.302 115.928 114.554 0.121 0.000 2.788 379 T HA -0.126 4.224 4.350 -0.000 0.000 0.268 379 T C 1.698 176.433 174.700 0.058 0.000 1.044 379 T CA 0.819 62.971 62.100 0.086 0.000 1.139 379 T CB -0.197 68.706 68.868 0.058 0.000 0.867 379 T HN 0.081 nan 8.240 nan 0.000 0.454 380 L N 0.369 121.600 121.223 0.014 0.000 2.056 380 L HA 0.116 4.456 4.340 -0.000 0.000 0.207 380 L C 1.928 178.673 176.870 -0.210 0.000 1.078 380 L CA 1.539 56.311 54.840 -0.114 0.000 0.749 380 L CB -0.935 41.034 42.059 -0.150 0.000 0.901 380 L HN 0.184 nan 8.230 nan 0.000 0.433 381 F N -0.173 119.734 119.950 -0.073 0.000 2.134 381 F HA -0.220 4.307 4.527 0.000 0.000 0.299 381 F C 2.774 178.555 175.800 -0.032 0.000 1.097 381 F CA 1.858 59.797 58.000 -0.102 0.000 1.264 381 F CB -0.444 38.466 39.000 -0.150 0.000 1.001 381 F HN 0.081 nan 8.300 nan 0.000 0.479 382 R N 0.696 121.288 120.500 0.153 0.000 2.094 382 R HA -0.206 4.134 4.340 -0.000 0.000 0.239 382 R C 1.844 178.240 176.300 0.159 0.000 1.137 382 R CA 2.279 58.462 56.100 0.138 0.000 0.943 382 R CB -0.539 29.837 30.300 0.128 0.000 0.850 382 R HN 0.167 nan 8.270 nan 0.000 0.433 383 D N 0.222 120.708 120.400 0.144 0.000 2.123 383 D HA -0.211 4.429 4.640 -0.000 0.000 0.196 383 D C 1.986 178.347 176.300 0.102 0.000 0.992 383 D CA 1.590 55.688 54.000 0.164 0.000 0.833 383 D CB -0.182 40.562 40.800 -0.094 0.000 0.954 383 D HN 0.387 nan 8.370 nan 0.000 0.455 384 M N 0.099 119.685 119.600 -0.023 0.000 2.132 384 M HA -0.116 4.364 4.480 -0.000 0.000 0.263 384 M C 2.236 178.544 176.300 0.013 0.000 1.065 384 M CA 1.080 56.348 55.300 -0.054 0.000 1.122 384 M CB -0.069 32.394 32.600 -0.227 0.000 1.365 384 M HN -0.110 nan 8.290 nan 0.000 0.411 385 K N 0.645 121.077 120.400 0.052 0.000 2.057 385 K HA -0.159 4.161 4.320 -0.000 0.000 0.206 385 K C 1.595 178.251 176.600 0.094 0.000 1.050 385 K CA 1.399 57.728 56.287 0.069 0.000 0.935 385 K CB 0.044 32.594 32.500 0.083 0.000 0.715 385 K HN 0.376 nan 8.250 nan 0.000 0.439 386 E N -0.334 119.956 120.200 0.151 0.000 2.204 386 E HA -0.113 4.237 4.350 -0.000 0.000 0.194 386 E C 1.290 178.002 176.600 0.187 0.000 0.989 386 E CA 0.692 57.219 56.400 0.212 0.000 0.824 386 E CB 0.080 29.987 29.700 0.345 0.000 0.756 386 E HN 0.309 nan 8.360 nan 0.000 0.477 387 A N 0.883 123.754 122.820 0.085 0.000 2.302 387 A HA 0.025 4.345 4.320 -0.000 0.000 0.219 387 A C 0.172 177.803 177.584 0.079 0.000 1.243 387 A CA 0.210 52.209 52.037 -0.063 0.000 0.856 387 A CB -0.563 18.181 19.000 -0.427 0.000 0.893 387 A HN 0.381 nan 8.150 nan 0.000 0.491 388 N N -1.995 116.765 118.700 0.101 0.000 2.800 388 N HA -0.156 4.584 4.740 -0.000 0.000 0.250 388 N C -0.168 175.375 175.510 0.055 0.000 1.078 388 N CA 0.859 53.970 53.050 0.101 0.000 0.804 388 N CB -1.443 37.129 38.487 0.143 0.000 1.135 388 N HN 0.607 nan 8.380 nan 0.000 0.565 389 M N 0.585 120.215 119.600 0.049 0.000 2.241 389 M HA 0.161 4.641 4.480 -0.000 0.000 0.335 389 M C 1.224 177.452 176.300 -0.120 0.000 1.122 389 M CA 0.389 55.660 55.300 -0.049 0.000 1.164 389 M CB 0.442 33.038 32.600 -0.008 0.000 1.459 389 M HN 0.267 nan 8.290 nan 0.000 0.461 390 N N 1.024 119.610 118.700 -0.190 0.000 2.118 390 N HA 0.248 4.988 4.740 -0.000 0.000 0.226 390 N C -0.585 174.831 175.510 -0.156 0.000 1.305 390 N CA -0.216 52.720 53.050 -0.191 0.000 0.890 390 N CB 0.742 39.052 38.487 -0.295 0.000 1.118 390 N HN 0.692 nan 8.380 nan 0.000 0.511 391 M N 0.528 120.037 119.600 -0.151 0.000 2.484 391 M HA 0.555 5.035 4.480 -0.000 0.000 0.289 391 M C -2.030 174.216 176.300 -0.090 0.000 1.206 391 M CA -0.954 54.280 55.300 -0.111 0.000 0.892 391 M CB 2.623 35.139 32.600 -0.141 0.000 1.712 391 M HN -0.167 nan 8.290 nan 0.000 0.462 392 V N 3.908 123.795 119.914 -0.045 0.000 2.735 392 V HA 0.673 4.793 4.120 -0.000 0.000 0.310 392 V C -1.382 174.716 176.094 0.006 0.000 1.061 392 V CA -0.646 61.617 62.300 -0.061 0.000 0.913 392 V CB 2.293 34.060 31.823 -0.092 0.000 1.005 392 V HN 0.981 nan 8.190 nan 0.000 0.428 393 R N 5.891 126.350 120.500 -0.067 0.000 2.294 393 R HA 0.575 4.915 4.340 -0.000 0.000 0.319 393 R C -0.928 175.370 176.300 -0.005 0.000 0.984 393 R CA -0.586 55.454 56.100 -0.100 0.000 0.861 393 R CB 1.088 31.138 30.300 -0.417 0.000 1.104 393 R HN 0.773 nan 8.270 nan 0.000 0.451 394 I N 5.896 126.501 120.570 0.058 0.000 2.256 394 I HA 0.120 4.290 4.170 -0.000 0.000 0.294 394 I C -0.141 176.054 176.117 0.130 0.000 1.127 394 I CA -0.596 60.750 61.300 0.075 0.000 1.247 394 I CB 0.100 38.055 38.000 -0.075 0.000 1.460 394 I HN 0.613 nan 8.210 nan 0.000 0.511 395 W N 5.970 127.238 121.300 -0.053 0.000 2.181 395 W HA 0.306 4.966 4.660 -0.000 0.000 0.335 395 W C 1.245 177.740 176.519 -0.040 0.000 1.310 395 W CA -0.446 56.899 57.345 -0.001 0.000 1.226 395 W CB 0.933 30.460 29.460 0.111 0.000 1.155 395 W HN 0.537 nan 8.180 nan 0.000 0.565 396 G N 3.027 111.480 108.800 -0.579 0.000 2.990 396 G HA2 0.087 4.047 3.960 -0.000 0.000 0.206 396 G HA3 0.087 4.047 3.960 -0.000 0.000 0.206 396 G C 0.841 175.166 174.900 -0.958 0.000 1.169 396 G CA 0.254 44.974 45.100 -0.634 0.000 0.819 396 G HN 0.875 nan 8.290 nan 0.000 0.517 397 G N -0.652 107.026 108.800 -1.870 0.000 3.337 397 G HA2 0.448 4.408 3.960 -0.000 0.000 0.246 397 G HA3 0.448 4.408 3.960 -0.000 0.000 0.246 397 G C 0.786 175.320 174.900 -0.610 0.000 1.131 397 G CA 0.583 44.853 45.100 -1.384 0.000 0.773 397 G HN 0.467 nan 8.290 nan 0.000 0.544 398 G N 0.294 108.840 108.800 -0.423 0.000 3.374 398 G HA2 0.509 4.469 3.960 -0.000 0.000 0.200 398 G HA3 0.509 4.469 3.960 -0.000 0.000 0.200 398 G C 0.196 175.041 174.900 -0.091 0.000 1.801 398 G CA 0.670 45.661 45.100 -0.182 0.000 0.842 398 G HN 0.639 nan 8.290 nan 0.000 0.688 399 T N -2.829 111.676 114.554 -0.081 0.000 2.906 399 T HA 0.543 4.893 4.350 -0.000 0.000 0.295 399 T C -1.112 173.503 174.700 -0.143 0.000 1.075 399 T CA -0.752 61.349 62.100 0.001 0.000 1.005 399 T CB 1.499 70.587 68.868 0.367 0.000 1.136 399 T HN 0.276 nan 8.240 nan 0.000 0.498 400 Y N 1.642 121.947 120.300 0.008 0.000 2.677 400 Y HA 0.233 4.783 4.550 0.000 0.000 0.335 400 Y C 1.464 177.497 175.900 0.222 0.000 1.162 400 Y CA -0.176 57.974 58.100 0.084 0.000 1.483 400 Y CB 0.091 38.594 38.460 0.072 0.000 1.209 400 Y HN 0.522 nan 8.280 nan 0.000 0.528 401 E N 2.726 123.120 120.200 0.323 0.000 2.391 401 E HA -0.003 4.347 4.350 -0.000 0.000 0.255 401 E C 0.081 176.919 176.600 0.397 0.000 1.187 401 E CA -0.376 56.164 56.400 0.233 0.000 0.941 401 E CB 0.440 29.889 29.700 -0.418 0.000 1.010 401 E HN 0.737 nan 8.360 nan 0.000 0.458 402 N N 1.077 119.938 118.700 0.268 0.000 2.326 402 N HA -0.049 4.691 4.740 -0.000 0.000 0.239 402 N C 0.494 176.131 175.510 0.211 0.000 1.301 402 N CA -0.101 53.041 53.050 0.152 0.000 0.909 402 N CB 0.245 38.732 38.487 -0.000 0.000 1.156 402 N HN 0.226 nan 8.380 nan 0.000 0.462 403 N N -0.250 118.517 118.700 0.112 0.000 2.166 403 N HA -0.130 4.610 4.740 -0.000 0.000 0.186 403 N C 1.518 177.078 175.510 0.085 0.000 1.019 403 N CA 0.611 53.748 53.050 0.145 0.000 0.856 403 N CB -0.600 37.947 38.487 0.100 0.000 0.993 403 N HN 0.559 nan 8.380 nan 0.000 0.426 404 L N 0.683 121.873 121.223 -0.054 0.000 2.021 404 L HA -0.179 4.161 4.340 -0.000 0.000 0.215 404 L C 2.086 178.812 176.870 -0.241 0.000 1.074 404 L CA 1.482 56.218 54.840 -0.173 0.000 0.760 404 L CB -0.985 40.889 42.059 -0.309 0.000 0.889 404 L HN 0.088 nan 8.230 nan 0.000 0.433 405 F N -0.704 119.029 119.950 -0.361 0.000 2.065 405 F HA -0.357 4.169 4.527 -0.000 0.000 0.298 405 F C 2.126 177.589 175.800 -0.561 0.000 1.112 405 F CA 2.241 60.042 58.000 -0.332 0.000 1.212 405 F CB -0.534 38.301 39.000 -0.276 0.000 0.975 405 F HN 0.202 nan 8.300 nan 0.000 0.476 406 Y N 0.215 120.421 120.300 -0.158 0.000 2.242 406 Y HA -0.202 4.348 4.550 -0.000 0.000 0.291 406 Y C 2.392 178.006 175.900 -0.477 0.000 1.137 406 Y CA 1.035 58.846 58.100 -0.482 0.000 1.181 406 Y CB -0.924 36.892 38.460 -1.074 0.000 0.989 406 Y HN 0.053 nan 8.280 nan 0.000 0.527 407 D N 0.457 120.764 120.400 -0.156 0.000 2.116 407 D HA -0.182 4.458 4.640 -0.000 0.000 0.193 407 D C 2.152 178.306 176.300 -0.243 0.000 0.998 407 D CA 1.396 55.364 54.000 -0.052 0.000 0.836 407 D CB -0.470 40.321 40.800 -0.014 0.000 0.951 407 D HN 0.311 nan 8.370 nan 0.000 0.449 408 L N 0.543 121.431 121.223 -0.560 0.000 2.056 408 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 408 L C 2.574 178.820 176.870 -1.040 0.000 1.078 408 L CA 1.091 55.392 54.840 -0.899 0.000 0.749 408 L CB -0.436 40.820 42.059 -1.337 0.000 0.901 408 L HN -0.035 nan 8.230 nan 0.000 0.433 409 A N -0.001 122.128 122.820 -1.152 0.000 1.908 409 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 409 A C 1.906 179.492 177.584 0.003 0.000 1.181 409 A CA 2.083 53.913 52.037 -0.346 0.000 0.627 409 A CB -0.567 18.335 19.000 -0.164 0.000 0.818 409 A HN 0.362 nan 8.150 nan 0.000 0.445 410 D N -0.031 120.374 120.400 0.009 0.000 2.092 410 D HA -0.184 4.456 4.640 -0.000 0.000 0.193 410 D C 1.964 178.489 176.300 0.375 0.000 0.994 410 D CA 1.786 55.936 54.000 0.250 0.000 0.828 410 D CB -0.422 40.479 40.800 0.170 0.000 0.963 410 D HN 0.884 nan 8.370 nan 0.000 0.450 411 E N -0.452 119.815 120.200 0.111 0.000 2.478 411 E HA 0.023 4.373 4.350 -0.000 0.000 0.194 411 E C 0.959 177.570 176.600 0.019 0.000 1.045 411 E CA 0.315 56.761 56.400 0.077 0.000 0.868 411 E CB 0.001 29.712 29.700 0.018 0.000 0.885 411 E HN 0.126 nan 8.360 nan 0.000 0.505 412 N N 0.652 119.356 118.700 0.008 0.000 2.205 412 N HA 0.068 4.808 4.740 -0.000 0.000 0.201 412 N C 0.529 176.034 175.510 -0.008 0.000 1.128 412 N CA 0.684 53.742 53.050 0.012 0.000 0.867 412 N CB 1.416 39.948 38.487 0.074 0.000 0.996 412 N HN 0.355 nan 8.380 nan 0.000 0.503 413 G N 1.829 110.630 108.800 0.001 0.000 2.246 413 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.273 413 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.273 413 G C -0.129 174.769 174.900 -0.004 0.000 1.055 413 G CA -0.085 44.889 45.100 -0.209 0.000 0.851 413 G HN 0.302 nan 8.290 nan 0.000 0.500 414 I N 0.242 120.927 120.570 0.192 0.000 2.355 414 I HA 0.360 4.530 4.170 -0.000 0.000 0.288 414 I C 0.502 176.746 176.117 0.211 0.000 0.999 414 I CA -1.136 60.251 61.300 0.144 0.000 1.163 414 I CB 1.297 39.375 38.000 0.130 0.000 1.316 414 I HN -0.124 nan 8.210 nan 0.000 0.454 415 L N 7.099 128.410 121.223 0.148 0.000 2.453 415 L HA 0.107 4.447 4.340 -0.000 0.000 0.272 415 L C 0.083 176.990 176.870 0.063 0.000 1.182 415 L CA 0.392 55.293 54.840 0.101 0.000 0.858 415 L CB 0.728 42.775 42.059 -0.020 0.000 1.120 415 L HN 0.299 nan 8.230 nan 0.000 0.474 416 V N 3.267 123.228 119.914 0.079 0.000 2.350 416 V HA 0.198 4.318 4.120 -0.000 0.000 0.276 416 V C -0.524 175.658 176.094 0.147 0.000 1.028 416 V CA -0.703 61.664 62.300 0.113 0.000 0.860 416 V CB 1.185 33.091 31.823 0.139 0.000 0.990 416 V HN 0.702 nan 8.190 nan 0.000 0.453 417 W N 6.146 127.437 121.300 -0.014 0.000 2.332 417 W HA 0.554 5.214 4.660 -0.000 0.000 0.306 417 W C -0.434 176.067 176.519 -0.030 0.000 1.149 417 W CA -1.205 56.153 57.345 0.022 0.000 1.271 417 W CB 1.280 30.807 29.460 0.110 0.000 1.243 417 W HN 0.623 nan 8.180 nan 0.000 0.459 418 Q N 4.794 124.733 119.800 0.232 0.000 2.394 418 Q HA 0.234 4.574 4.340 -0.000 0.000 0.259 418 Q C -1.033 175.054 176.000 0.146 0.000 1.021 418 Q CA -0.216 55.597 55.803 0.016 0.000 0.805 418 Q CB 0.682 29.121 28.738 -0.499 0.000 1.226 418 Q HN 0.288 nan 8.270 nan 0.000 0.476 419 D N 3.196 123.732 120.400 0.228 0.000 2.382 419 D HA 0.154 4.794 4.640 -0.000 0.000 0.245 419 D C -0.414 175.954 176.300 0.113 0.000 1.120 419 D CA 0.183 54.323 54.000 0.233 0.000 0.890 419 D CB 0.415 41.300 40.800 0.142 0.000 1.201 419 D HN 0.419 nan 8.370 nan 0.000 0.433 420 F N 0.884 121.058 119.950 0.374 0.000 2.444 420 F HA 0.094 4.621 4.527 -0.000 0.000 0.331 420 F C 1.522 177.257 175.800 -0.107 0.000 1.167 420 F CA -0.397 57.802 58.000 0.331 0.000 1.262 420 F CB 0.404 39.766 39.000 0.603 0.000 1.196 420 F HN 0.062 nan 8.300 nan 0.000 0.583 421 M N 3.549 122.896 119.600 -0.422 0.000 3.596 421 M HA 0.185 4.665 4.480 -0.000 0.000 0.219 421 M C -1.505 174.282 176.300 -0.854 0.000 1.471 421 M CA 0.338 55.168 55.300 -0.783 0.000 1.644 421 M CB -1.706 30.170 32.600 -1.206 0.000 1.083 421 M HN 0.296 nan 8.290 nan 0.000 0.579 422 F N 0.566 120.455 119.950 -0.101 0.000 2.562 422 F HA 0.685 5.212 4.527 -0.000 0.000 0.319 422 F C -0.140 175.714 175.800 0.090 0.000 1.154 422 F CA -1.001 56.959 58.000 -0.066 0.000 0.931 422 F CB 1.693 40.658 39.000 -0.058 0.000 1.198 422 F HN 0.313 nan 8.300 nan 0.000 0.444 423 A N 1.450 124.539 122.820 0.448 0.000 2.402 423 A HA 0.622 4.942 4.320 -0.000 0.000 0.291 423 A C 0.139 178.051 177.584 0.546 0.000 1.051 423 A CA -0.643 51.599 52.037 0.342 0.000 0.716 423 A CB 0.781 19.738 19.000 -0.073 0.000 1.223 423 A HN 1.091 nan 8.150 nan 0.000 0.425 424 C N 0.153 119.728 119.300 0.459 0.000 5.189 424 C HA -0.130 4.330 4.460 -0.000 0.000 0.253 424 C C 0.979 176.201 174.990 0.387 0.000 1.601 424 C CA 1.618 60.916 59.018 0.466 0.000 1.533 424 C CB -2.150 25.919 27.740 0.547 0.000 2.164 424 C HN 1.524 nan 8.230 nan 0.000 0.604 425 T N 0.719 115.444 114.554 0.285 0.000 2.906 425 T HA 0.619 4.969 4.350 -0.000 0.000 0.295 425 T C -2.734 172.064 174.700 0.164 0.000 1.061 425 T CA -1.250 60.947 62.100 0.162 0.000 1.000 425 T CB 2.347 71.151 68.868 -0.108 0.000 1.103 425 T HN 0.058 nan 8.240 nan 0.000 0.486 426 P HA 0.270 nan 4.420 nan 0.000 0.272 426 P C -1.333 176.004 177.300 0.063 0.000 1.240 426 P CA -0.079 63.205 63.100 0.307 0.000 0.791 426 P CB 0.427 32.297 31.700 0.283 0.000 0.978 427 Y N -1.117 119.260 120.300 0.129 0.000 2.576 427 Y HA 0.403 4.953 4.550 0.000 0.000 0.346 427 Y C -1.754 173.981 175.900 -0.274 0.000 1.018 427 Y CA -2.289 55.683 58.100 -0.213 0.000 1.050 427 Y CB 0.945 39.437 38.460 0.054 0.000 1.280 427 Y HN 0.266 nan 8.280 nan 0.000 0.474 428 P HA -0.027 nan 4.420 nan 0.000 0.269 428 P C -0.158 177.067 177.300 -0.125 0.000 1.205 428 P CA 0.602 63.462 63.100 -0.402 0.000 0.780 428 P CB 0.461 31.612 31.700 -0.914 0.000 0.858 429 S N -2.289 113.446 115.700 0.057 0.000 3.041 429 S HA 0.070 4.540 4.470 -0.000 0.000 0.244 429 S C -0.128 174.545 174.600 0.123 0.000 0.837 429 S CA -0.723 57.557 58.200 0.133 0.000 1.206 429 S CB -0.722 62.512 63.200 0.057 0.000 1.218 429 S HN 0.497 nan 8.310 nan 0.000 0.591 430 D N 1.687 122.174 120.400 0.146 0.000 2.357 430 D HA 0.206 4.846 4.640 -0.000 0.000 0.242 430 D C -1.969 174.410 176.300 0.131 0.000 1.153 430 D CA -1.103 52.969 54.000 0.120 0.000 0.918 430 D CB 0.708 41.578 40.800 0.117 0.000 1.181 430 D HN -0.016 nan 8.370 nan 0.000 0.435 431 P HA -0.167 nan 4.420 nan 0.000 0.216 431 P C 1.653 178.997 177.300 0.073 0.000 1.150 431 P CA 2.180 65.313 63.100 0.056 0.000 0.837 431 P CB -0.098 31.621 31.700 0.032 0.000 0.786 432 T N -3.677 110.939 114.554 0.103 0.000 2.821 432 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 432 T C 1.713 176.500 174.700 0.145 0.000 1.046 432 T CA 0.692 62.856 62.100 0.106 0.000 1.139 432 T CB -1.419 67.510 68.868 0.102 0.000 0.871 432 T HN -0.040 nan 8.240 nan 0.000 0.454 433 F N 2.095 122.080 119.950 0.057 0.000 2.134 433 F HA 0.171 4.698 4.527 0.000 0.000 0.299 433 F C 1.986 177.806 175.800 0.033 0.000 1.097 433 F CA 0.898 58.941 58.000 0.073 0.000 1.264 433 F CB -0.397 38.659 39.000 0.094 0.000 1.001 433 F HN 0.064 nan 8.300 nan 0.000 0.479 434 L N -0.169 121.067 121.223 0.021 0.000 2.131 434 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 434 L C 2.484 179.260 176.870 -0.158 0.000 1.092 434 L CA 0.884 55.645 54.840 -0.131 0.000 0.759 434 L CB -0.706 41.309 42.059 -0.073 0.000 0.903 434 L HN 0.009 nan 8.230 nan 0.000 0.435 435 K N 0.516 120.865 120.400 -0.085 0.000 2.026 435 K HA -0.120 4.200 4.320 -0.000 0.000 0.208 435 K C 2.171 178.718 176.600 -0.088 0.000 1.048 435 K CA 1.305 57.551 56.287 -0.069 0.000 0.929 435 K CB -0.331 32.156 32.500 -0.021 0.000 0.713 435 K HN 0.280 nan 8.250 nan 0.000 0.439 436 R N 0.315 120.756 120.500 -0.098 0.000 2.094 436 R HA -0.113 4.227 4.340 -0.000 0.000 0.239 436 R C 2.336 178.543 176.300 -0.155 0.000 1.137 436 R CA 1.527 57.564 56.100 -0.106 0.000 0.943 436 R CB -0.683 29.550 30.300 -0.111 0.000 0.850 436 R HN -0.043 nan 8.270 nan 0.000 0.433 437 V N 1.161 120.904 119.914 -0.285 0.000 2.392 437 V HA -0.269 3.851 4.120 -0.000 0.000 0.249 437 V C 2.291 178.288 176.094 -0.162 0.000 1.059 437 V CA 1.976 64.149 62.300 -0.212 0.000 1.051 437 V CB -0.530 31.113 31.823 -0.300 0.000 0.658 437 V HN 0.411 nan 8.190 nan 0.000 0.455 438 E N 0.081 120.172 120.200 -0.181 0.000 2.085 438 E HA -0.256 4.094 4.350 -0.000 0.000 0.194 438 E C 2.254 178.764 176.600 -0.150 0.000 0.994 438 E CA 1.491 57.790 56.400 -0.169 0.000 0.801 438 E CB -0.221 29.396 29.700 -0.138 0.000 0.743 438 E HN 0.593 nan 8.360 nan 0.000 0.453 439 A N 1.005 123.758 122.820 -0.113 0.000 1.898 439 A HA -0.234 4.086 4.320 -0.000 0.000 0.216 439 A C 2.041 179.573 177.584 -0.086 0.000 1.181 439 A CA 1.625 53.602 52.037 -0.099 0.000 0.620 439 A CB -0.613 18.346 19.000 -0.068 0.000 0.819 439 A HN 0.439 nan 8.150 nan 0.000 0.442 440 E N 0.035 120.200 120.200 -0.059 0.000 2.065 440 E HA -0.235 4.115 4.350 -0.000 0.000 0.201 440 E C 2.139 178.679 176.600 -0.099 0.000 1.016 440 E CA 1.515 57.907 56.400 -0.014 0.000 0.818 440 E CB -0.310 29.435 29.700 0.075 0.000 0.749 440 E HN 0.533 nan 8.360 nan 0.000 0.453 441 A N 0.434 123.183 122.820 -0.119 0.000 1.845 441 A HA -0.164 4.156 4.320 -0.000 0.000 0.215 441 A C 2.480 179.886 177.584 -0.297 0.000 1.195 441 A CA 1.762 53.712 52.037 -0.146 0.000 0.616 441 A CB -0.920 17.927 19.000 -0.255 0.000 0.832 441 A HN 0.246 nan 8.150 nan 0.000 0.443 442 V N -1.250 118.443 119.914 -0.368 0.000 2.287 442 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 442 V C 2.389 178.202 176.094 -0.470 0.000 1.053 442 V CA 2.312 64.237 62.300 -0.625 0.000 1.027 442 V CB -1.037 30.417 31.823 -0.615 0.000 0.646 442 V HN 0.722 nan 8.190 nan 0.000 0.447 443 Y N 1.600 121.681 120.300 -0.366 0.000 2.114 443 Y HA -0.196 4.354 4.550 -0.000 0.000 0.284 443 Y C 2.531 178.267 175.900 -0.274 0.000 1.143 443 Y CA 2.102 60.029 58.100 -0.288 0.000 1.135 443 Y CB -0.380 37.938 38.460 -0.238 0.000 0.980 443 Y HN 0.276 nan 8.280 nan 0.000 0.499 444 N N 0.462 118.927 118.700 -0.392 0.000 2.216 444 N HA -0.132 4.608 4.740 -0.000 0.000 0.183 444 N C 1.984 177.320 175.510 -0.290 0.000 1.017 444 N CA 1.654 54.438 53.050 -0.443 0.000 0.861 444 N CB -0.156 37.981 38.487 -0.583 0.000 0.986 444 N HN 0.432 nan 8.380 nan 0.000 0.428 445 I N 1.476 121.851 120.570 -0.325 0.000 2.127 445 I HA -0.279 3.891 4.170 -0.000 0.000 0.241 445 I C 2.493 178.468 176.117 -0.237 0.000 1.075 445 I CA 1.296 62.451 61.300 -0.242 0.000 1.334 445 I CB -0.278 37.452 38.000 -0.451 0.000 1.040 445 I HN 0.064 nan 8.210 nan 0.000 0.405 446 R N 0.254 120.531 120.500 -0.371 0.000 2.081 446 R HA -0.180 4.160 4.340 -0.000 0.000 0.235 446 R C 2.484 178.579 176.300 -0.343 0.000 1.131 446 R CA 1.370 57.258 56.100 -0.354 0.000 0.960 446 R CB -0.360 29.730 30.300 -0.349 0.000 0.856 446 R HN 0.313 nan 8.270 nan 0.000 0.436 447 R N 0.809 121.048 120.500 -0.436 0.000 2.096 447 R HA -0.100 4.240 4.340 -0.000 0.000 0.235 447 R C 1.675 177.814 176.300 -0.269 0.000 1.127 447 R CA 1.323 57.188 56.100 -0.393 0.000 0.968 447 R CB -0.006 29.945 30.300 -0.581 0.000 0.861 447 R HN 0.209 nan 8.270 nan 0.000 0.440 448 L N 0.403 121.487 121.223 -0.231 0.000 2.556 448 L HA 0.138 4.478 4.340 -0.000 0.000 0.226 448 L C 2.147 178.959 176.870 -0.097 0.000 1.089 448 L CA 0.041 54.783 54.840 -0.163 0.000 0.864 448 L CB -0.039 41.821 42.059 -0.332 0.000 1.067 448 L HN 0.174 nan 8.230 nan 0.000 0.477 449 R N -0.344 120.072 120.500 -0.140 0.000 2.280 449 R HA -0.022 4.318 4.340 -0.000 0.000 0.207 449 R C 0.976 177.180 176.300 -0.160 0.000 1.043 449 R CA 0.843 56.873 56.100 -0.117 0.000 1.006 449 R CB -0.473 29.692 30.300 -0.225 0.000 0.885 449 R HN 0.359 nan 8.270 nan 0.000 0.467 450 N N 0.573 119.070 118.700 -0.339 0.000 2.398 450 N HA -0.024 4.716 4.740 -0.000 0.000 0.188 450 N C -0.370 174.875 175.510 -0.442 0.000 1.122 450 N CA 0.206 52.987 53.050 -0.449 0.000 0.866 450 N CB 0.095 38.069 38.487 -0.855 0.000 0.970 450 N HN 0.305 nan 8.380 nan 0.000 0.462 451 H N 0.916 119.839 119.070 -0.245 0.000 2.955 451 H HA 0.130 4.686 4.556 0.000 0.000 0.290 451 H C 1.182 176.334 175.328 -0.294 0.000 1.047 451 H CA -0.149 55.771 56.048 -0.214 0.000 1.484 451 H CB 1.260 30.946 29.762 -0.127 0.000 1.501 451 H HN 0.098 nan 8.280 nan 0.000 0.521 452 A N 3.690 126.319 122.820 -0.319 0.000 1.940 452 A HA -0.281 4.039 4.320 -0.000 0.000 0.221 452 A C 2.428 179.493 177.584 -0.864 0.000 1.190 452 A CA 2.403 53.989 52.037 -0.752 0.000 0.647 452 A CB -0.608 17.628 19.000 -1.274 0.000 0.821 452 A HN 0.747 nan 8.150 nan 0.000 0.457 453 S N -1.031 114.389 115.700 -0.465 0.000 2.406 453 S HA 0.055 4.525 4.470 -0.000 0.000 0.228 453 S C 0.767 175.319 174.600 -0.081 0.000 1.020 453 S CA 0.529 58.615 58.200 -0.190 0.000 0.965 453 S CB -0.730 62.492 63.200 0.036 0.000 0.798 453 S HN 0.465 nan 8.310 nan 0.000 0.488 454 L N 2.129 123.315 121.223 -0.062 0.000 2.654 454 L HA 0.410 4.750 4.340 -0.000 0.000 0.271 454 L C 0.916 177.732 176.870 -0.090 0.000 1.169 454 L CA 0.268 55.060 54.840 -0.080 0.000 0.947 454 L CB 0.201 42.184 42.059 -0.126 0.000 1.232 454 L HN 0.253 nan 8.230 nan 0.000 0.486 455 A N 6.484 129.273 122.820 -0.051 0.000 2.108 455 A HA 0.479 4.799 4.320 -0.000 0.000 0.206 455 A C 0.446 178.075 177.584 0.075 0.000 1.212 455 A CA 0.792 52.861 52.037 0.053 0.000 0.843 455 A CB 0.042 19.118 19.000 0.128 0.000 0.902 455 A HN 0.800 nan 8.150 nan 0.000 0.477 456 M N -4.400 115.164 119.600 -0.061 0.000 2.918 456 M HA 0.568 5.048 4.480 -0.000 0.000 0.272 456 M C -2.404 173.747 176.300 -0.250 0.000 1.082 456 M CA -0.697 54.577 55.300 -0.044 0.000 0.799 456 M CB 0.657 33.278 32.600 0.034 0.000 1.659 456 M HN 0.035 nan 8.290 nan 0.000 0.533 457 W N 0.845 122.130 121.300 -0.025 0.000 2.639 457 W HA 0.800 5.460 4.660 -0.000 0.000 0.347 457 W C -0.920 175.544 176.519 -0.092 0.000 1.067 457 W CA -0.354 56.992 57.345 0.001 0.000 1.218 457 W CB 1.979 31.558 29.460 0.198 0.000 1.393 457 W HN 0.881 nan 8.180 nan 0.000 0.557 458 C N 2.123 121.599 119.300 0.292 0.000 2.481 458 C HA 0.572 5.032 4.460 -0.000 0.000 0.324 458 C C 1.517 176.754 174.990 0.411 0.000 1.170 458 C CA 0.123 59.230 59.018 0.148 0.000 1.361 458 C CB 0.344 28.302 27.740 0.364 0.000 1.977 458 C HN 0.993 nan 8.230 nan 0.000 0.459 459 G N 4.483 113.392 108.800 0.180 0.000 2.529 459 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.219 459 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.219 459 G C 0.279 175.411 174.900 0.387 0.000 1.177 459 G CA 1.789 47.175 45.100 0.478 0.000 0.773 459 G HN 1.181 nan 8.290 nan 0.000 0.573 460 N N -2.697 116.073 118.700 0.118 0.000 3.046 460 N HA 0.234 4.974 4.740 -0.000 0.000 0.243 460 N C -1.614 173.966 175.510 0.116 0.000 1.452 460 N CA -0.882 52.212 53.050 0.073 0.000 0.882 460 N CB 0.609 38.892 38.487 -0.339 0.000 1.425 460 N HN 0.040 nan 8.380 nan 0.000 0.517 461 N N 0.050 118.832 118.700 0.136 0.000 2.426 461 N HA 0.253 4.993 4.740 -0.000 0.000 0.257 461 N C -0.777 174.858 175.510 0.208 0.000 1.002 461 N CA -0.019 53.165 53.050 0.222 0.000 0.942 461 N CB 0.321 38.951 38.487 0.239 0.000 1.112 461 N HN 0.777 nan 8.380 nan 0.000 0.499 462 E N 1.333 121.605 120.200 0.119 0.000 3.547 462 E HA -0.281 4.069 4.350 -0.000 0.000 0.300 462 E C 0.684 177.195 176.600 -0.147 0.000 0.857 462 E CA 0.803 57.203 56.400 0.000 0.000 1.039 462 E CB -1.163 28.653 29.700 0.193 0.000 1.524 462 E HN 0.679 nan 8.360 nan 0.000 0.457 463 I N -0.130 120.421 120.570 -0.031 0.000 2.202 463 I HA -0.234 3.936 4.170 -0.000 0.000 0.242 463 I C 2.439 178.452 176.117 -0.173 0.000 1.091 463 I CA 1.131 62.427 61.300 -0.007 0.000 1.368 463 I CB -0.295 37.819 38.000 0.189 0.000 1.058 463 I HN 0.149 nan 8.210 nan 0.000 0.410 464 L N 1.202 122.294 121.223 -0.217 0.000 2.131 464 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 464 L C 2.398 179.053 176.870 -0.360 0.000 1.092 464 L CA 1.840 56.424 54.840 -0.427 0.000 0.759 464 L CB -0.660 41.250 42.059 -0.249 0.000 0.903 464 L HN 0.234 nan 8.230 nan 0.000 0.435 465 E N -0.584 119.416 120.200 -0.333 0.000 2.031 465 E HA -0.255 4.095 4.350 -0.000 0.000 0.193 465 E C 2.163 178.221 176.600 -0.902 0.000 0.994 465 E CA 1.271 57.431 56.400 -0.399 0.000 0.800 465 E CB -0.240 29.272 29.700 -0.314 0.000 0.752 465 E HN 0.610 nan 8.360 nan 0.000 0.447 466 A N 1.179 123.202 122.820 -1.329 0.000 1.884 466 A HA -0.243 4.077 4.320 -0.000 0.000 0.219 466 A C 2.249 179.312 177.584 -0.868 0.000 1.197 466 A CA 1.772 52.949 52.037 -1.434 0.000 0.637 466 A CB -1.023 17.580 19.000 -0.661 0.000 0.827 466 A HN 0.350 nan 8.150 nan 0.000 0.450 467 L N -1.151 119.821 121.223 -0.417 0.000 2.013 467 L HA -0.261 4.079 4.340 -0.000 0.000 0.212 467 L C 2.649 179.386 176.870 -0.221 0.000 1.073 467 L CA 2.173 56.917 54.840 -0.160 0.000 0.753 467 L CB -0.383 41.570 42.059 -0.176 0.000 0.890 467 L HN 0.403 nan 8.230 nan 0.000 0.432 468 K N -1.697 118.425 120.400 -0.463 0.000 2.211 468 K HA -0.039 4.281 4.320 -0.000 0.000 0.201 468 K C 1.190 177.286 176.600 -0.840 0.000 1.052 468 K CA 0.946 56.823 56.287 -0.684 0.000 0.973 468 K CB 0.201 32.106 32.500 -0.991 0.000 0.766 468 K HN 0.201 nan 8.250 nan 0.000 0.466 469 Y N -2.483 117.661 120.300 -0.259 0.000 2.527 469 Y HA 0.120 4.670 4.550 -0.000 0.000 0.247 469 Y C 0.544 176.483 175.900 0.066 0.000 1.138 469 Y CA -0.708 57.323 58.100 -0.115 0.000 1.228 469 Y CB 0.543 38.963 38.460 -0.068 0.000 1.252 469 Y HN 0.077 nan 8.280 nan 0.000 0.531 470 W N 0.273 121.387 121.300 -0.310 0.000 3.239 470 W HA 0.551 5.211 4.660 -0.000 0.000 0.348 470 W C 1.144 177.485 176.519 -0.296 0.000 1.183 470 W CA -0.155 56.977 57.345 -0.356 0.000 1.819 470 W CB -0.161 29.009 29.460 -0.482 0.000 1.091 470 W HN 0.129 nan 8.180 nan 0.000 0.629 471 G N 0.397 109.167 108.800 -0.049 0.000 2.204 471 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.244 471 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.244 471 G C 0.509 175.521 174.900 0.188 0.000 1.062 471 G CA 0.050 45.174 45.100 0.039 0.000 0.798 471 G HN 0.067 nan 8.290 nan 0.000 0.496 472 F N 1.038 121.035 119.950 0.077 0.000 2.187 472 F HA 0.063 4.590 4.527 -0.000 0.000 0.295 472 F C 2.506 178.321 175.800 0.024 0.000 1.091 472 F CA 1.226 59.327 58.000 0.169 0.000 1.308 472 F CB -1.059 38.168 39.000 0.379 0.000 1.030 472 F HN 0.461 nan 8.300 nan 0.000 0.487 473 E N 1.250 121.355 120.200 -0.159 0.000 2.455 473 E HA -0.164 4.186 4.350 -0.000 0.000 0.202 473 E C 1.842 178.366 176.600 -0.128 0.000 1.045 473 E CA 1.231 57.422 56.400 -0.347 0.000 0.872 473 E CB -1.055 28.204 29.700 -0.736 0.000 0.792 473 E HN 0.522 nan 8.360 nan 0.000 0.542 474 K N 0.371 120.735 120.400 -0.060 0.000 2.393 474 K HA 0.218 4.538 4.320 -0.000 0.000 0.193 474 K C 2.027 178.563 176.600 -0.105 0.000 1.026 474 K CA 0.793 57.045 56.287 -0.060 0.000 1.064 474 K CB -0.307 32.172 32.500 -0.036 0.000 0.833 474 K HN 0.404 nan 8.250 nan 0.000 0.521 475 K N -1.263 119.037 120.400 -0.167 0.000 2.367 475 K HA 0.290 4.610 4.320 -0.000 0.000 0.195 475 K C -0.812 175.257 176.600 -0.884 0.000 1.060 475 K CA 0.003 55.974 56.287 -0.526 0.000 1.022 475 K CB 0.440 32.508 32.500 -0.720 0.000 0.894 475 K HN 0.330 nan 8.250 nan 0.000 0.540 476 F N 0.450 120.362 119.950 -0.063 0.000 2.620 476 F HA 0.162 4.689 4.527 0.000 0.000 0.320 476 F C 0.610 176.364 175.800 -0.078 0.000 1.069 476 F CA -1.330 56.601 58.000 -0.115 0.000 0.953 476 F CB 1.007 39.889 39.000 -0.198 0.000 1.322 476 F HN -0.206 nan 8.300 nan 0.000 0.479 477 T N -1.801 112.816 114.554 0.104 0.000 2.898 477 T HA 0.333 4.683 4.350 -0.000 0.000 0.301 477 T C -1.474 173.274 174.700 0.080 0.000 1.049 477 T CA -0.485 61.648 62.100 0.054 0.000 1.095 477 T CB 0.831 69.717 68.868 0.030 0.000 0.976 477 T HN 0.516 nan 8.240 nan 0.000 0.539 478 P HA -0.169 nan 4.420 nan 0.000 0.216 478 P C 1.650 179.008 177.300 0.097 0.000 1.150 478 P CA 1.600 64.761 63.100 0.102 0.000 0.843 478 P CB -0.325 nan 31.700 nan 0.000 0.787 479 E N -0.677 119.547 120.200 0.040 0.000 2.072 479 E HA -0.104 4.246 4.350 -0.000 0.000 0.191 479 E C 2.088 178.665 176.600 -0.038 0.000 0.985 479 E CA 1.381 57.783 56.400 0.003 0.000 0.801 479 E CB -1.607 28.089 29.700 -0.007 0.000 0.750 479 E HN 0.303 nan 8.360 nan 0.000 0.452 480 V N 1.226 121.095 119.914 -0.075 0.000 2.261 480 V HA -0.289 3.831 4.120 -0.000 0.000 0.246 480 V C 2.368 178.310 176.094 -0.253 0.000 1.047 480 V CA 2.036 64.179 62.300 -0.262 0.000 1.015 480 V CB -0.880 30.640 31.823 -0.505 0.000 0.642 480 V HN 0.171 nan 8.190 nan 0.000 0.446 481 Y N 0.944 121.130 120.300 -0.190 0.000 2.114 481 Y HA -0.308 4.242 4.550 -0.000 0.000 0.282 481 Y C 2.744 178.623 175.900 -0.034 0.000 1.165 481 Y CA 2.085 60.124 58.100 -0.102 0.000 1.148 481 Y CB -0.357 38.115 38.460 0.020 0.000 0.972 481 Y HN 0.219 nan 8.280 nan 0.000 0.504 482 Q N -0.338 119.439 119.800 -0.039 0.000 2.135 482 Q HA -0.132 4.208 4.340 -0.000 0.000 0.204 482 Q C 2.538 178.594 176.000 0.093 0.000 0.981 482 Q CA 1.464 57.271 55.803 0.006 0.000 0.856 482 Q CB -1.088 27.700 28.738 0.083 0.000 0.902 482 Q HN 0.658 nan 8.270 nan 0.000 0.425 483 G N 0.351 109.125 108.800 -0.044 0.000 2.421 483 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.217 483 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.217 483 G C 1.580 176.480 174.900 0.000 0.000 1.143 483 G CA 0.231 45.314 45.100 -0.028 0.000 0.784 483 G HN 0.249 nan 8.290 nan 0.000 0.541 484 L N 0.031 121.185 121.223 -0.116 0.000 2.012 484 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 484 L C 3.083 179.925 176.870 -0.047 0.000 1.073 484 L CA 0.882 55.666 54.840 -0.094 0.000 0.748 484 L CB -0.448 41.471 42.059 -0.232 0.000 0.891 484 L HN 0.146 nan 8.230 nan 0.000 0.431 485 M N -0.695 118.787 119.600 -0.196 0.000 2.080 485 M HA -0.214 4.266 4.480 -0.000 0.000 0.260 485 M C 2.278 178.545 176.300 -0.054 0.000 1.068 485 M CA 1.886 57.073 55.300 -0.188 0.000 1.109 485 M CB -1.508 30.884 32.600 -0.347 0.000 1.342 485 M HN 0.249 nan 8.290 nan 0.000 0.405 486 H N -0.518 118.524 119.070 -0.046 0.000 2.326 486 H HA 0.025 4.581 4.556 -0.000 0.000 0.301 486 H C 2.160 177.499 175.328 0.019 0.000 1.081 486 H CA 1.757 57.799 56.048 -0.010 0.000 1.334 486 H CB -0.905 28.841 29.762 -0.027 0.000 1.385 486 H HN 0.488 nan 8.280 nan 0.000 0.504 487 G N -0.304 108.589 108.800 0.154 0.000 2.507 487 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.221 487 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.221 487 G C 1.602 176.544 174.900 0.071 0.000 1.119 487 G CA 1.232 46.392 45.100 0.100 0.000 0.751 487 G HN 0.467 nan 8.290 nan 0.000 0.574 488 Y N 1.760 122.092 120.300 0.054 0.000 2.114 488 Y HA -0.133 4.417 4.550 0.000 0.000 0.284 488 Y C 2.562 178.522 175.900 0.100 0.000 1.143 488 Y CA 2.083 60.277 58.100 0.157 0.000 1.135 488 Y CB -0.132 38.418 38.460 0.150 0.000 0.980 488 Y HN 0.198 nan 8.280 nan 0.000 0.499 489 D N 0.224 120.708 120.400 0.139 0.000 2.123 489 D HA -0.192 4.448 4.640 -0.000 0.000 0.196 489 D C 2.038 178.265 176.300 -0.122 0.000 0.992 489 D CA 1.633 55.640 54.000 0.012 0.000 0.833 489 D CB -0.284 40.523 40.800 0.011 0.000 0.954 489 D HN 0.387 nan 8.370 nan 0.000 0.455 490 K N -0.286 120.042 120.400 -0.119 0.000 2.063 490 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 490 K C 1.958 178.381 176.600 -0.296 0.000 1.048 490 K CA 0.661 56.854 56.287 -0.156 0.000 0.928 490 K CB -0.153 32.290 32.500 -0.095 0.000 0.713 490 K HN 0.069 nan 8.250 nan 0.000 0.442 491 L N -0.377 120.553 121.223 -0.488 0.000 2.084 491 L HA 0.011 4.351 4.340 -0.000 0.000 0.202 491 L C 1.598 177.943 176.870 -0.876 0.000 1.074 491 L CA 1.702 56.035 54.840 -0.844 0.000 0.757 491 L CB -0.287 40.977 42.059 -1.324 0.000 0.918 491 L HN 0.013 nan 8.230 nan 0.000 0.444 492 F N -0.879 118.796 119.950 -0.457 0.000 2.746 492 F HA 0.256 4.783 4.527 -0.000 0.000 0.297 492 F C 1.997 177.715 175.800 -0.136 0.000 1.113 492 F CA 0.191 57.981 58.000 -0.351 0.000 1.367 492 F CB -0.164 38.459 39.000 -0.629 0.000 1.111 492 F HN -0.027 nan 8.300 nan 0.000 0.590 493 R N -0.943 119.519 120.500 -0.063 0.000 2.476 493 R HA 0.195 4.535 4.340 -0.000 0.000 0.276 493 R C 0.817 177.053 176.300 -0.107 0.000 0.941 493 R CA 0.227 56.312 56.100 -0.023 0.000 1.088 493 R CB 0.532 30.813 30.300 -0.032 0.000 1.216 493 R HN 0.205 nan 8.270 nan 0.000 0.533 494 E N -0.054 120.037 120.200 -0.180 0.000 2.941 494 E HA 0.069 4.419 4.350 -0.000 0.000 0.180 494 E C 1.150 177.597 176.600 -0.254 0.000 1.130 494 E CA -0.170 56.114 56.400 -0.193 0.000 1.243 494 E CB 0.065 29.669 29.700 -0.159 0.000 1.582 494 E HN -0.047 nan 8.360 nan 0.000 0.499 495 L N 1.420 122.468 121.223 -0.292 0.000 1.970 495 L HA -0.130 4.210 4.340 -0.000 0.000 0.212 495 L C 1.994 178.617 176.870 -0.411 0.000 1.071 495 L CA 1.785 56.434 54.840 -0.319 0.000 0.751 495 L CB -0.473 41.385 42.059 -0.334 0.000 0.889 495 L HN 0.219 nan 8.230 nan 0.000 0.432 496 L N -0.160 120.747 121.223 -0.527 0.000 2.017 496 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 496 L C -0.220 176.129 176.870 -0.868 0.000 1.073 496 L CA 1.373 55.781 54.840 -0.720 0.000 0.745 496 L CB -2.085 39.536 42.059 -0.729 0.000 0.894 496 L HN 0.309 nan 8.230 nan 0.000 0.432 497 P HA -0.128 nan 4.420 nan 0.000 0.217 497 P C 1.705 178.713 177.300 -0.485 0.000 1.150 497 P CA 1.783 64.318 63.100 -0.942 0.000 0.832 497 P CB -0.077 31.246 31.700 -0.628 0.000 0.787 498 S N -0.783 114.701 115.700 -0.359 0.000 2.382 498 S HA -0.129 4.341 4.470 -0.000 0.000 0.228 498 S C 1.950 176.419 174.600 -0.218 0.000 1.027 498 S CA 1.909 59.961 58.200 -0.247 0.000 0.991 498 S CB -2.058 61.023 63.200 -0.198 0.000 0.823 498 S HN 0.141 nan 8.310 nan 0.000 0.469 499 T N 2.341 116.753 114.554 -0.236 0.000 2.777 499 T HA 0.005 4.355 4.350 -0.000 0.000 0.266 499 T C 1.937 176.584 174.700 -0.087 0.000 1.040 499 T CA 1.309 63.351 62.100 -0.097 0.000 1.141 499 T CB -0.610 68.147 68.868 -0.186 0.000 0.868 499 T HN 0.276 nan 8.240 nan 0.000 0.444 500 V N 1.410 121.169 119.914 -0.258 0.000 2.343 500 V HA -0.129 3.991 4.120 -0.000 0.000 0.247 500 V C 2.699 178.702 176.094 -0.152 0.000 1.051 500 V CA 1.354 63.509 62.300 -0.242 0.000 1.036 500 V CB -0.440 31.219 31.823 -0.274 0.000 0.654 500 V HN 0.281 nan 8.190 nan 0.000 0.451 501 K N -0.004 120.291 120.400 -0.175 0.000 2.063 501 K HA -0.206 4.114 4.320 -0.000 0.000 0.208 501 K C 2.164 178.657 176.600 -0.178 0.000 1.048 501 K CA 1.697 57.896 56.287 -0.146 0.000 0.928 501 K CB -0.260 32.149 32.500 -0.152 0.000 0.713 501 K HN 0.625 nan 8.250 nan 0.000 0.442 502 E N -1.271 118.778 120.200 -0.252 0.000 2.072 502 E HA -0.097 4.253 4.350 -0.000 0.000 0.190 502 E C 1.241 177.483 176.600 -0.596 0.000 0.982 502 E CA 0.892 57.009 56.400 -0.473 0.000 0.803 502 E CB 0.114 29.401 29.700 -0.689 0.000 0.755 502 E HN 0.177 nan 8.360 nan 0.000 0.453 503 F N -0.534 119.308 119.950 -0.180 0.000 2.717 503 F HA 0.218 4.745 4.527 -0.000 0.000 0.297 503 F C 0.569 176.211 175.800 -0.263 0.000 1.113 503 F CA -0.026 57.836 58.000 -0.230 0.000 1.319 503 F CB 1.010 39.852 39.000 -0.264 0.000 1.097 503 F HN -0.145 nan 8.300 nan 0.000 0.595 504 D N -0.825 119.549 120.400 -0.043 0.000 3.060 504 D HA 0.093 4.733 4.640 -0.000 0.000 0.326 504 D C 1.142 177.469 176.300 0.045 0.000 1.253 504 D CA 0.298 54.300 54.000 0.004 0.000 0.737 504 D CB 0.274 41.113 40.800 0.065 0.000 1.260 504 D HN 0.044 nan 8.370 nan 0.000 0.542 505 S N -0.614 115.103 115.700 0.029 0.000 2.423 505 S HA -0.111 4.359 4.470 -0.000 0.000 0.231 505 S C 1.137 175.759 174.600 0.037 0.000 1.014 505 S CA 0.759 58.965 58.200 0.009 0.000 0.965 505 S CB 0.193 63.384 63.200 -0.014 0.000 0.785 505 S HN 0.145 nan 8.310 nan 0.000 0.495 506 D N 1.177 121.617 120.400 0.066 0.000 2.340 506 D HA 0.197 4.837 4.640 -0.000 0.000 0.220 506 D C 0.347 176.698 176.300 0.086 0.000 1.039 506 D CA 0.202 54.239 54.000 0.061 0.000 0.866 506 D CB 0.189 41.020 40.800 0.052 0.000 0.913 506 D HN 0.456 nan 8.370 nan 0.000 0.523 507 R N 0.119 120.696 120.500 0.129 0.000 2.532 507 R HA 0.295 4.635 4.340 -0.000 0.000 0.295 507 R C -0.336 176.095 176.300 0.217 0.000 0.968 507 R CA -0.855 55.355 56.100 0.184 0.000 0.916 507 R CB 1.536 31.998 30.300 0.270 0.000 1.124 507 R HN -0.120 nan 8.270 nan 0.000 0.463 508 F N 3.051 123.020 119.950 0.031 0.000 2.529 508 F HA 0.113 4.640 4.527 -0.000 0.000 0.365 508 F C -0.820 175.054 175.800 0.124 0.000 1.102 508 F CA 0.050 58.038 58.000 -0.020 0.000 1.271 508 F CB 0.338 39.203 39.000 -0.225 0.000 1.120 508 F HN 0.421 nan 8.300 nan 0.000 0.579 509 Y N 6.330 126.191 120.300 -0.732 0.000 2.409 509 Y HA 0.611 5.161 4.550 -0.000 0.000 0.343 509 Y C -1.731 173.549 175.900 -1.034 0.000 0.973 509 Y CA -1.036 56.712 58.100 -0.586 0.000 1.064 509 Y CB 1.532 39.881 38.460 -0.186 0.000 1.207 509 Y HN 0.568 nan 8.280 nan 0.000 0.452 510 V N 6.750 125.899 119.914 -1.276 0.000 2.680 510 V HA 0.239 4.359 4.120 -0.000 0.000 0.309 510 V C 0.300 175.802 176.094 -0.988 0.000 1.052 510 V CA -0.374 61.412 62.300 -0.856 0.000 0.908 510 V CB 1.396 33.041 31.823 -0.296 0.000 1.001 510 V HN 1.061 nan 8.190 nan 0.000 0.431 511 H N 3.353 122.169 119.070 -0.422 0.000 2.457 511 H HA 0.280 4.836 4.556 -0.000 0.000 0.294 511 H C 0.797 176.098 175.328 -0.045 0.000 1.064 511 H CA 1.103 57.078 56.048 -0.123 0.000 1.330 511 H CB 0.168 30.043 29.762 0.189 0.000 1.395 511 H HN 0.530 nan 8.280 nan 0.000 0.541 512 S N -1.163 114.256 115.700 -0.468 0.000 2.588 512 S HA 0.483 4.953 4.470 -0.000 0.000 0.269 512 S C -1.589 172.994 174.600 -0.030 0.000 1.157 512 S CA -0.547 57.542 58.200 -0.186 0.000 0.824 512 S CB 1.747 64.885 63.200 -0.103 0.000 1.126 512 S HN 0.353 nan 8.310 nan 0.000 0.464 513 S N 2.866 118.628 115.700 0.103 0.000 2.605 513 S HA 0.714 5.184 4.470 -0.000 0.000 0.308 513 S C -2.945 171.558 174.600 -0.161 0.000 1.113 513 S CA -1.567 56.736 58.200 0.172 0.000 1.049 513 S CB 1.472 64.993 63.200 0.535 0.000 1.001 513 S HN 0.519 nan 8.310 nan 0.000 0.480 514 P HA 0.179 nan 4.420 nan 0.000 0.280 514 P C 0.101 177.324 177.300 -0.128 0.000 1.244 514 P CA -0.424 62.534 63.100 -0.237 0.000 0.784 514 P CB 0.416 31.960 31.700 -0.260 0.000 0.913 515 Y N 3.084 123.321 120.300 -0.105 0.000 2.373 515 Y HA 0.084 4.634 4.550 -0.000 0.000 0.293 515 Y C 1.168 177.086 175.900 0.029 0.000 1.129 515 Y CA 1.049 59.069 58.100 -0.134 0.000 1.226 515 Y CB -0.609 37.745 38.460 -0.177 0.000 1.000 515 Y HN 0.221 nan 8.280 nan 0.000 0.549 516 L N -0.335 120.755 121.223 -0.220 0.000 2.718 516 L HA 0.597 4.937 4.340 -0.000 0.000 0.247 516 L C 1.060 177.920 176.870 -0.017 0.000 1.028 516 L CA 0.534 55.368 54.840 -0.009 0.000 1.031 516 L CB -0.492 41.618 42.059 0.085 0.000 1.910 516 L HN 0.104 nan 8.230 nan 0.000 0.526 517 A N 1.347 124.104 122.820 -0.105 0.000 2.531 517 A HA 0.268 4.587 4.320 -0.000 0.000 0.236 517 A C -0.057 177.568 177.584 0.067 0.000 1.062 517 A CA 0.340 52.401 52.037 0.041 0.000 0.760 517 A CB -0.318 18.732 19.000 0.083 0.000 0.995 517 A HN 0.459 nan 8.150 nan 0.000 0.501 518 N N 2.429 121.184 118.700 0.090 0.000 2.249 518 N HA 0.140 4.880 4.740 -0.000 0.000 0.296 518 N C 0.857 176.515 175.510 0.248 0.000 1.051 518 N CA -0.658 52.386 53.050 -0.009 0.000 0.815 518 N CB 0.971 39.139 38.487 -0.532 0.000 1.487 518 N HN 0.890 nan 8.380 nan 0.000 0.475 519 W N 3.372 124.818 121.300 0.245 0.000 2.468 519 W HA 0.066 4.725 4.660 -0.000 0.000 0.262 519 W C 0.416 177.212 176.519 0.461 0.000 1.241 519 W CA 0.916 58.474 57.345 0.354 0.000 1.232 519 W CB -0.434 29.161 29.460 0.224 0.000 1.124 519 W HN 0.566 nan 8.180 nan 0.000 0.597 520 G N 1.374 110.002 108.800 -0.286 0.000 3.088 520 G HA2 0.040 4.000 3.960 -0.000 0.000 0.217 520 G HA3 0.040 4.000 3.960 -0.000 0.000 0.217 520 G C 0.592 175.363 174.900 -0.215 0.000 1.159 520 G CA -0.401 44.447 45.100 -0.420 0.000 0.760 520 G HN -0.068 nan 8.290 nan 0.000 0.550 521 R N 0.541 120.942 120.500 -0.166 0.000 2.402 521 R HA 0.267 4.606 4.340 -0.000 0.000 0.290 521 R C -2.327 173.590 176.300 -0.639 0.000 1.321 521 R CA -2.029 53.892 56.100 -0.298 0.000 1.283 521 R CB 1.647 31.790 30.300 -0.261 0.000 1.111 521 R HN -0.017 nan 8.270 nan 0.000 0.578 522 P HA -0.178 nan 4.420 nan 0.000 0.219 522 P C 1.112 177.761 177.300 -1.086 0.000 1.146 522 P CA 1.054 63.036 63.100 -1.863 0.000 0.808 522 P CB 0.390 31.391 31.700 -1.165 0.000 0.779 523 E N 0.218 120.089 120.200 -0.548 0.000 2.482 523 E HA -0.074 4.276 4.350 -0.000 0.000 0.196 523 E C 1.300 177.803 176.600 -0.163 0.000 1.047 523 E CA 1.158 57.396 56.400 -0.269 0.000 0.869 523 E CB -0.739 28.866 29.700 -0.158 0.000 0.836 523 E HN 0.320 nan 8.360 nan 0.000 0.520 524 S N -0.928 114.646 115.700 -0.209 0.000 2.548 524 S HA 0.037 4.507 4.470 -0.000 0.000 0.215 524 S C 1.158 175.856 174.600 0.163 0.000 0.976 524 S CA -0.515 57.680 58.200 -0.010 0.000 0.908 524 S CB -0.571 62.633 63.200 0.007 0.000 0.781 524 S HN 0.236 nan 8.310 nan 0.000 0.519 525 W N 2.283 123.616 121.300 0.056 0.000 2.595 525 W HA 0.397 5.057 4.660 -0.000 0.000 0.257 525 W C 2.054 178.636 176.519 0.105 0.000 1.267 525 W CA 0.016 57.409 57.345 0.080 0.000 1.300 525 W CB -1.209 28.322 29.460 0.119 0.000 1.120 525 W HN 0.521 nan 8.180 nan 0.000 0.618 526 G N -0.455 108.538 108.800 0.323 0.000 3.088 526 G HA2 0.033 3.993 3.960 -0.000 0.000 0.212 526 G HA3 0.033 3.993 3.960 -0.000 0.000 0.212 526 G C 0.030 174.993 174.900 0.104 0.000 1.173 526 G CA 0.213 45.441 45.100 0.214 0.000 0.779 526 G HN 0.007 nan 8.290 nan 0.000 0.540 527 T N 1.059 115.672 114.554 0.098 0.000 2.963 527 T HA 0.581 4.931 4.350 -0.000 0.000 0.343 527 T C 0.767 175.410 174.700 -0.095 0.000 1.146 527 T CA 0.250 62.387 62.100 0.062 0.000 1.016 527 T CB 1.083 69.999 68.868 0.081 0.000 1.046 527 T HN 0.852 nan 8.240 nan 0.000 0.496 528 G N 3.939 112.736 108.800 -0.004 0.000 2.553 528 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.242 528 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.242 528 G C -0.766 173.975 174.900 -0.264 0.000 1.277 528 G CA -0.223 44.789 45.100 -0.146 0.000 0.910 528 G HN 0.831 nan 8.290 nan 0.000 0.576 529 D N 0.181 120.239 120.400 -0.570 0.000 2.264 529 D HA 0.587 5.227 4.640 -0.000 0.000 0.249 529 D C -0.107 176.121 176.300 -0.120 0.000 1.070 529 D CA 0.102 53.908 54.000 -0.323 0.000 0.912 529 D CB 1.520 42.041 40.800 -0.465 0.000 1.193 529 D HN 0.474 nan 8.370 nan 0.000 0.427 530 S N 0.183 115.907 115.700 0.041 0.000 2.501 530 S HA 0.258 4.728 4.470 -0.000 0.000 0.301 530 S C -0.496 174.274 174.600 0.284 0.000 1.096 530 S CA -0.739 57.522 58.200 0.101 0.000 1.063 530 S CB 0.953 64.148 63.200 -0.008 0.000 1.042 530 S HN 0.399 nan 8.310 nan 0.000 0.494 531 H N 2.477 121.609 119.070 0.104 0.000 2.746 531 H HA 0.204 4.760 4.556 -0.000 0.000 0.269 531 H C -0.283 175.086 175.328 0.068 0.000 1.248 531 H CA -0.587 55.540 56.048 0.133 0.000 1.258 531 H CB 0.312 30.305 29.762 0.386 0.000 1.441 531 H HN 0.340 nan 8.280 nan 0.000 0.508 532 N N 3.232 121.882 118.700 -0.083 0.000 2.605 532 N HA -0.043 4.697 4.740 -0.000 0.000 0.258 532 N C -0.379 174.888 175.510 -0.405 0.000 1.156 532 N CA -0.309 52.653 53.050 -0.147 0.000 1.008 532 N CB -0.036 38.316 38.487 -0.224 0.000 1.354 532 N HN 0.564 nan 8.380 nan 0.000 0.509 533 W N 1.676 122.850 121.300 -0.210 0.000 3.305 533 W HA 0.361 5.021 4.660 -0.000 0.000 0.392 533 W C 1.834 177.724 176.519 -1.048 0.000 1.121 533 W CA -0.681 56.429 57.345 -0.392 0.000 1.909 533 W CB 0.382 29.792 29.460 -0.083 0.000 1.065 533 W HN 0.559 nan 8.180 nan 0.000 0.714 534 G N 0.477 108.741 108.800 -0.892 0.000 2.433 534 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.216 534 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.216 534 G C 0.640 175.405 174.900 -0.225 0.000 1.186 534 G CA 0.484 45.174 45.100 -0.682 0.000 0.779 534 G HN -0.045 nan 8.290 nan 0.000 0.543 535 V N 1.008 120.893 119.914 -0.048 0.000 2.655 535 V HA 0.174 4.294 4.120 -0.000 0.000 0.300 535 V C 0.925 177.214 176.094 0.326 0.000 1.044 535 V CA 0.191 62.574 62.300 0.139 0.000 1.095 535 V CB 0.330 32.249 31.823 0.160 0.000 0.952 535 V HN 0.617 nan 8.190 nan 0.000 0.485 536 W N 3.438 124.829 121.300 0.151 0.000 1.616 536 W HA -0.402 4.258 4.660 0.000 0.000 0.274 536 W C 1.494 177.988 176.519 -0.041 0.000 1.827 536 W CA 1.943 59.314 57.345 0.043 0.000 2.176 536 W CB -1.460 28.091 29.460 0.153 0.000 1.002 536 W HN 0.601 nan 8.180 nan 0.000 0.442 537 Y N 1.032 121.491 120.300 0.264 0.000 2.207 537 Y HA -0.001 4.549 4.550 -0.000 0.000 0.287 537 Y C 2.630 178.503 175.900 -0.044 0.000 1.156 537 Y CA 2.589 60.714 58.100 0.042 0.000 1.182 537 Y CB -1.294 37.246 38.460 0.133 0.000 0.979 537 Y HN 0.266 nan 8.280 nan 0.000 0.521 538 G N -1.262 107.460 108.800 -0.130 0.000 3.088 538 G HA2 0.036 3.996 3.960 -0.000 0.000 0.217 538 G HA3 0.036 3.996 3.960 -0.000 0.000 0.217 538 G C 0.701 175.634 174.900 0.055 0.000 1.159 538 G CA 0.069 45.146 45.100 -0.038 0.000 0.760 538 G HN 0.293 nan 8.290 nan 0.000 0.550 539 K N -0.770 119.651 120.400 0.034 0.000 3.274 539 K HA -0.177 4.143 4.320 -0.000 0.000 0.300 539 K C 0.301 176.871 176.600 -0.051 0.000 1.230 539 K CA 0.786 57.096 56.287 0.039 0.000 0.884 539 K CB -0.911 31.563 32.500 -0.044 0.000 1.242 539 K HN 0.401 nan 8.250 nan 0.000 0.467 540 K N 1.405 121.815 120.400 0.017 0.000 2.319 540 K HA 0.107 4.427 4.320 -0.000 0.000 0.265 540 K C -2.073 174.466 176.600 -0.102 0.000 1.000 540 K CA -1.214 55.059 56.287 -0.022 0.000 0.943 540 K CB 0.203 32.730 32.500 0.045 0.000 0.950 540 K HN -0.040 nan 8.250 nan 0.000 0.485 541 P HA -0.008 nan 4.420 nan 0.000 0.274 541 P C 0.190 177.441 177.300 -0.083 0.000 1.246 541 P CA -0.145 62.836 63.100 -0.198 0.000 0.795 541 P CB 0.352 31.980 31.700 -0.121 0.000 1.006 542 F N 0.139 120.141 119.950 0.087 0.000 2.250 542 F HA -0.167 4.360 4.527 -0.000 0.000 0.301 542 F C 2.176 178.033 175.800 0.095 0.000 1.077 542 F CA 1.612 59.655 58.000 0.072 0.000 1.348 542 F CB -1.208 37.781 39.000 -0.018 0.000 1.040 542 F HN 0.294 nan 8.300 nan 0.000 0.509 543 E N 0.004 120.316 120.200 0.188 0.000 2.209 543 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 543 E C 2.308 178.994 176.600 0.144 0.000 0.993 543 E CA 1.344 57.842 56.400 0.163 0.000 0.819 543 E CB -0.715 29.030 29.700 0.076 0.000 0.745 543 E HN 0.401 nan 8.360 nan 0.000 0.477 544 S N 0.309 116.072 115.700 0.106 0.000 2.442 544 S HA -0.122 4.348 4.470 -0.000 0.000 0.236 544 S C 1.849 176.483 174.600 0.057 0.000 1.007 544 S CA 0.676 58.925 58.200 0.082 0.000 0.965 544 S CB -0.434 62.809 63.200 0.072 0.000 0.773 544 S HN 0.237 nan 8.310 nan 0.000 0.504 545 L N 1.250 122.517 121.223 0.073 0.000 2.362 545 L HA -0.045 4.295 4.340 -0.000 0.000 0.219 545 L C 1.865 178.718 176.870 -0.029 0.000 1.134 545 L CA 0.964 55.808 54.840 0.007 0.000 0.807 545 L CB -0.542 41.516 42.059 -0.002 0.000 0.927 545 L HN 0.269 nan 8.230 nan 0.000 0.447 546 D N -0.792 119.614 120.400 0.010 0.000 2.234 546 D HA -0.098 4.542 4.640 -0.000 0.000 0.205 546 D C 2.143 178.442 176.300 -0.001 0.000 0.962 546 D CA 1.840 55.828 54.000 -0.020 0.000 0.855 546 D CB 0.179 40.998 40.800 0.031 0.000 0.951 546 D HN 0.418 nan 8.370 nan 0.000 0.500 547 T N -2.326 112.246 114.554 0.031 0.000 3.018 547 T HA 0.019 4.369 4.350 -0.000 0.000 0.246 547 T C 0.468 175.217 174.700 0.083 0.000 1.026 547 T CA -0.224 61.909 62.100 0.055 0.000 1.081 547 T CB 0.184 69.105 68.868 0.089 0.000 0.970 547 T HN -0.261 nan 8.240 nan 0.000 0.475 548 D N 2.381 122.796 120.400 0.024 0.000 2.522 548 D HA 0.459 5.099 4.640 -0.000 0.000 0.218 548 D C -0.642 175.528 176.300 -0.217 0.000 1.149 548 D CA -0.132 53.784 54.000 -0.139 0.000 0.981 548 D CB 0.238 40.812 40.800 -0.376 0.000 1.041 548 D HN 0.425 nan 8.370 nan 0.000 0.518 549 L N 2.906 124.113 121.223 -0.027 0.000 2.325 549 L HA 0.519 4.859 4.340 -0.000 0.000 0.279 549 L C -2.042 174.937 176.870 0.182 0.000 1.054 549 L CA -1.566 53.301 54.840 0.044 0.000 0.804 549 L CB 1.534 43.630 42.059 0.062 0.000 1.200 549 L HN 0.085 nan 8.230 nan 0.000 0.436 550 P HA 0.389 nan 4.420 nan 0.000 0.289 550 P C -0.515 176.845 177.300 0.099 0.000 1.302 550 P CA -0.828 62.319 63.100 0.079 0.000 0.923 550 P CB 1.812 33.435 31.700 -0.129 0.000 1.238 551 R N 0.405 120.904 120.500 -0.003 0.000 2.189 551 R HA 0.161 4.501 4.340 -0.000 0.000 0.223 551 R C 0.230 176.629 176.300 0.166 0.000 1.092 551 R CA 0.792 56.862 56.100 -0.049 0.000 0.989 551 R CB -0.925 29.367 30.300 -0.012 0.000 0.876 551 R HN 0.601 nan 8.270 nan 0.000 0.457 552 F N -0.453 119.474 119.950 -0.038 0.000 2.688 552 F HA 0.229 4.756 4.527 -0.000 0.000 0.332 552 F C -1.326 174.412 175.800 -0.103 0.000 1.131 552 F CA -1.147 56.840 58.000 -0.022 0.000 1.113 552 F CB 1.133 40.238 39.000 0.175 0.000 1.359 552 F HN -0.239 nan 8.300 nan 0.000 0.551 553 M N 5.207 124.665 119.600 -0.237 0.000 2.151 553 M HA 0.259 4.739 4.480 -0.000 0.000 0.349 553 M C 0.446 176.802 176.300 0.093 0.000 1.284 553 M CA 0.261 55.462 55.300 -0.165 0.000 1.173 553 M CB 0.778 33.060 32.600 -0.531 0.000 1.469 553 M HN 0.515 nan 8.290 nan 0.000 0.439 554 S N 2.464 118.308 115.700 0.241 0.000 2.501 554 S HA 0.250 4.720 4.470 -0.000 0.000 0.220 554 S C 0.043 174.567 174.600 -0.127 0.000 0.997 554 S CA 0.006 58.275 58.200 0.114 0.000 0.919 554 S CB -0.154 63.077 63.200 0.050 0.000 0.778 554 S HN 0.752 nan 8.310 nan 0.000 0.523 555 E N -0.076 120.055 120.200 -0.115 0.000 2.354 555 E HA 0.577 4.927 4.350 -0.000 0.000 0.283 555 E C -1.575 174.960 176.600 -0.110 0.000 0.938 555 E CA -0.764 55.563 56.400 -0.123 0.000 0.777 555 E CB 2.308 31.817 29.700 -0.318 0.000 1.222 555 E HN 0.432 nan 8.360 nan 0.000 0.423 556 F N -0.412 119.289 119.950 -0.414 0.000 2.719 556 F HA 0.858 5.385 4.527 -0.000 0.000 0.309 556 F C -0.648 174.883 175.800 -0.448 0.000 1.138 556 F CA -0.602 56.970 58.000 -0.713 0.000 0.943 556 F CB 1.687 40.494 39.000 -0.323 0.000 1.304 556 F HN 0.580 nan 8.300 nan 0.000 0.445 557 G N 0.790 109.199 108.800 -0.652 0.000 2.466 557 G HA2 0.536 4.496 3.960 -0.000 0.000 0.291 557 G HA3 0.536 4.496 3.960 -0.000 0.000 0.291 557 G C -2.817 172.310 174.900 0.379 0.000 1.460 557 G CA -0.804 44.221 45.100 -0.125 0.000 0.791 557 G HN 1.164 nan 8.290 nan 0.000 0.505 558 F N -0.089 120.001 119.950 0.232 0.000 2.650 558 F HA 0.582 5.109 4.527 -0.000 0.000 0.310 558 F C -0.365 175.209 175.800 -0.376 0.000 1.112 558 F CA -0.679 57.324 58.000 0.005 0.000 0.986 558 F CB 2.010 41.076 39.000 0.110 0.000 1.285 558 F HN 0.556 nan 8.300 nan 0.000 0.440 559 Q N 2.370 121.205 119.800 -1.607 0.000 2.260 559 Q HA 0.655 4.995 4.340 -0.000 0.000 0.238 559 Q C -1.001 174.622 176.000 -0.629 0.000 0.948 559 Q CA -0.495 54.483 55.803 -1.375 0.000 0.895 559 Q CB 1.858 29.449 28.738 -1.912 0.000 1.218 559 Q HN 0.709 nan 8.270 nan 0.000 0.470 560 S N 0.280 115.717 115.700 -0.438 0.000 2.537 560 S HA 0.489 4.959 4.470 -0.000 0.000 0.270 560 S C -0.843 173.665 174.600 -0.153 0.000 1.142 560 S CA -0.871 57.209 58.200 -0.201 0.000 0.870 560 S CB 0.512 63.606 63.200 -0.177 0.000 1.112 560 S HN 0.374 nan 8.310 nan 0.000 0.466 561 F N 3.196 123.045 119.950 -0.168 0.000 2.629 561 F HA 0.281 4.808 4.527 -0.000 0.000 0.369 561 F C -1.359 174.378 175.800 -0.106 0.000 1.125 561 F CA -0.688 57.261 58.000 -0.085 0.000 1.330 561 F CB 0.220 39.196 39.000 -0.040 0.000 1.071 561 F HN 0.425 nan 8.300 nan 0.000 0.595 562 P HA 0.061 nan 4.420 nan 0.000 0.274 562 P C -0.781 176.577 177.300 0.098 0.000 1.246 562 P CA -0.548 62.595 63.100 0.072 0.000 0.795 562 P CB 0.559 32.326 31.700 0.112 0.000 1.006 563 E N 0.953 121.203 120.200 0.083 0.000 2.425 563 E HA -0.015 4.335 4.350 -0.000 0.000 0.258 563 E C 1.072 177.729 176.600 0.094 0.000 1.151 563 E CA -0.520 55.947 56.400 0.113 0.000 0.958 563 E CB 0.098 29.929 29.700 0.218 0.000 0.968 563 E HN 0.175 nan 8.360 nan 0.000 0.451 564 M N 1.389 121.036 119.600 0.078 0.000 2.149 564 M HA -0.185 4.295 4.480 -0.000 0.000 0.261 564 M C 2.049 178.335 176.300 -0.023 0.000 1.064 564 M CA 2.141 57.432 55.300 -0.015 0.000 1.102 564 M CB -1.288 31.302 32.600 -0.016 0.000 1.369 564 M HN 0.706 nan 8.290 nan 0.000 0.408 565 K N -1.332 119.086 120.400 0.030 0.000 2.209 565 K HA -0.073 4.247 4.320 -0.000 0.000 0.204 565 K C 1.652 178.236 176.600 -0.028 0.000 1.048 565 K CA 1.629 57.918 56.287 0.003 0.000 0.940 565 K CB -0.640 31.869 32.500 0.016 0.000 0.729 565 K HN 0.162 nan 8.250 nan 0.000 0.451 566 T N 1.823 116.397 114.554 0.034 0.000 2.896 566 T HA 0.090 4.440 4.350 -0.000 0.000 0.263 566 T C 1.890 176.589 174.700 -0.002 0.000 1.050 566 T CA 0.859 63.031 62.100 0.120 0.000 1.140 566 T CB -0.107 68.926 68.868 0.275 0.000 0.877 566 T HN 0.174 nan 8.240 nan 0.000 0.457 567 I N 1.538 121.992 120.570 -0.193 0.000 2.226 567 I HA -0.149 4.021 4.170 -0.000 0.000 0.245 567 I C 2.924 178.622 176.117 -0.699 0.000 1.100 567 I CA 1.037 61.885 61.300 -0.753 0.000 1.374 567 I CB -0.525 37.218 38.000 -0.429 0.000 1.057 567 I HN 0.175 nan 8.210 nan 0.000 0.413 568 A N 0.918 123.588 122.820 -0.249 0.000 2.024 568 A HA -0.136 4.184 4.320 -0.000 0.000 0.220 568 A C 2.494 180.079 177.584 0.003 0.000 1.164 568 A CA 1.733 53.754 52.037 -0.026 0.000 0.643 568 A CB -0.632 18.400 19.000 0.055 0.000 0.806 568 A HN 0.452 nan 8.150 nan 0.000 0.451 569 A N -0.862 121.946 122.820 -0.020 0.000 2.067 569 A HA 0.150 4.470 4.320 -0.000 0.000 0.219 569 A C 1.650 179.415 177.584 0.301 0.000 1.158 569 A CA 1.357 53.488 52.037 0.156 0.000 0.661 569 A CB -0.607 18.477 19.000 0.141 0.000 0.801 569 A HN 1.147 nan 8.150 nan 0.000 0.452 570 F N -3.821 116.127 119.950 -0.003 0.000 2.767 570 F HA 0.755 5.282 4.527 -0.000 0.000 0.323 570 F C 0.300 175.666 175.800 -0.723 0.000 1.091 570 F CA -0.240 57.542 58.000 -0.363 0.000 1.192 570 F CB 0.090 38.788 39.000 -0.502 0.000 1.056 570 F HN 0.176 nan 8.300 nan 0.000 0.571 571 A N 1.208 123.687 122.820 -0.567 0.000 2.498 571 A HA 0.871 5.191 4.320 -0.000 0.000 0.298 571 A C -0.829 176.751 177.584 -0.007 0.000 1.075 571 A CA -0.468 51.388 52.037 -0.302 0.000 0.714 571 A CB 0.901 19.770 19.000 -0.218 0.000 1.299 571 A HN 0.522 nan 8.150 nan 0.000 0.407 572 A N 1.412 124.228 122.820 -0.007 0.000 2.279 572 A HA 0.738 5.058 4.320 -0.000 0.000 0.303 572 A C -1.966 175.311 177.584 -0.512 0.000 1.108 572 A CA -1.730 50.256 52.037 -0.085 0.000 0.830 572 A CB 0.167 19.174 19.000 0.011 0.000 1.106 572 A HN 0.473 nan 8.150 nan 0.000 0.493 573 P HA -0.116 nan 4.420 nan 0.000 0.226 573 P C 0.340 177.143 177.300 -0.828 0.000 1.146 573 P CA 1.295 63.579 63.100 -1.360 0.000 0.773 573 P CB 0.172 31.475 31.700 -0.661 0.000 0.772 574 E N -0.925 119.017 120.200 -0.430 0.000 2.435 574 E HA -0.057 4.293 4.350 -0.000 0.000 0.195 574 E C 0.918 177.402 176.600 -0.193 0.000 1.029 574 E CA 0.645 56.901 56.400 -0.239 0.000 0.865 574 E CB -0.574 29.043 29.700 -0.138 0.000 0.833 574 E HN 0.336 nan 8.360 nan 0.000 0.510 575 D N -0.110 120.160 120.400 -0.217 0.000 2.349 575 D HA -0.043 4.596 4.640 -0.000 0.000 0.214 575 D C -0.188 176.044 176.300 -0.113 0.000 1.063 575 D CA 0.056 53.992 54.000 -0.108 0.000 0.847 575 D CB 0.082 40.854 40.800 -0.047 0.000 0.933 575 D HN 0.191 nan 8.370 nan 0.000 0.513 576 Y N 2.153 122.212 120.300 -0.402 0.000 2.758 576 Y HA 0.252 4.802 4.550 -0.000 0.000 0.351 576 Y C 0.384 175.727 175.900 -0.928 0.000 1.214 576 Y CA -0.265 57.322 58.100 -0.855 0.000 1.983 576 Y CB -1.202 36.927 38.460 -0.551 0.000 2.062 576 Y HN -0.086 nan 8.280 nan 0.000 0.416 577 Q N -0.105 119.342 119.800 -0.587 0.000 2.451 577 Q HA 0.392 4.732 4.340 -0.000 0.000 0.281 577 Q C 1.151 177.039 176.000 -0.188 0.000 1.099 577 Q CA -0.746 54.857 55.803 -0.333 0.000 0.806 577 Q CB 1.825 30.488 28.738 -0.126 0.000 1.419 577 Q HN 0.476 nan 8.270 nan 0.000 0.427 578 I N -2.846 117.737 120.570 0.022 0.000 3.083 578 I HA 0.041 4.211 4.170 -0.000 0.000 0.273 578 I C 0.133 176.364 176.117 0.189 0.000 1.297 578 I CA 1.287 62.684 61.300 0.161 0.000 1.452 578 I CB 0.215 38.121 38.000 -0.157 0.000 1.078 578 I HN 0.592 nan 8.210 nan 0.000 0.484 579 E N 0.915 121.160 120.200 0.075 0.000 3.254 579 E HA 0.169 4.519 4.350 -0.000 0.000 0.184 579 E C 0.118 176.743 176.600 0.041 0.000 0.967 579 E CA -0.250 56.192 56.400 0.071 0.000 1.311 579 E CB 0.725 30.452 29.700 0.044 0.000 1.071 579 E HN 0.561 nan 8.360 nan 0.000 0.456 580 S N -0.455 115.262 115.700 0.029 0.000 2.598 580 S HA 0.098 4.568 4.470 -0.000 0.000 0.256 580 S C 1.287 175.918 174.600 0.051 0.000 1.350 580 S CA -0.558 57.654 58.200 0.020 0.000 0.984 580 S CB 1.080 64.275 63.200 -0.007 0.000 0.930 580 S HN 0.191 nan 8.310 nan 0.000 0.577 581 E N 0.035 120.263 120.200 0.047 0.000 2.021 581 E HA -0.157 4.193 4.350 -0.000 0.000 0.200 581 E C 2.077 178.736 176.600 0.100 0.000 1.015 581 E CA 1.699 58.137 56.400 0.064 0.000 0.824 581 E CB -0.517 29.218 29.700 0.059 0.000 0.762 581 E HN 0.507 nan 8.360 nan 0.000 0.454 582 V N 1.296 121.276 119.914 0.109 0.000 2.568 582 V HA -0.274 3.846 4.120 -0.000 0.000 0.253 582 V C 2.289 178.527 176.094 0.240 0.000 1.072 582 V CA 1.315 63.715 62.300 0.167 0.000 1.084 582 V CB -0.373 31.510 31.823 0.100 0.000 0.676 582 V HN 0.327 nan 8.190 nan 0.000 0.469 583 M N -0.251 119.468 119.600 0.197 0.000 2.236 583 M HA -0.007 4.473 4.480 -0.000 0.000 0.266 583 M C 1.993 178.384 176.300 0.152 0.000 1.070 583 M CA 1.203 56.647 55.300 0.240 0.000 1.137 583 M CB -1.226 31.552 32.600 0.297 0.000 1.378 583 M HN 0.420 nan 8.290 nan 0.000 0.426 584 N N 0.895 119.668 118.700 0.123 0.000 2.270 584 N HA -0.020 4.720 4.740 -0.000 0.000 0.181 584 N C 1.727 177.278 175.510 0.068 0.000 1.016 584 N CA 1.283 54.379 53.050 0.077 0.000 0.870 584 N CB -0.168 38.357 38.487 0.063 0.000 0.979 584 N HN 0.289 nan 8.380 nan 0.000 0.431 585 A N 0.918 123.806 122.820 0.113 0.000 1.948 585 A HA -0.170 4.149 4.320 -0.000 0.000 0.220 585 A C 0.807 178.398 177.584 0.011 0.000 1.177 585 A CA 1.464 53.566 52.037 0.110 0.000 0.636 585 A CB -0.615 18.506 19.000 0.202 0.000 0.815 585 A HN 0.349 nan 8.150 nan 0.000 0.449 586 H N -1.706 117.279 119.070 -0.142 0.000 2.524 586 H HA 0.491 5.047 4.556 -0.000 0.000 0.297 586 H C -0.375 174.744 175.328 -0.349 0.000 1.115 586 H CA 0.328 56.113 56.048 -0.439 0.000 1.027 586 H CB 0.174 29.269 29.762 -1.113 0.000 1.591 586 H HN 0.529 nan 8.280 nan 0.000 0.543 587 Q N 0.737 120.493 119.800 -0.074 0.000 2.263 587 Q HA 0.287 4.627 4.340 -0.000 0.000 0.262 587 Q C -0.733 175.272 176.000 0.008 0.000 0.984 587 Q CA -0.667 55.083 55.803 -0.088 0.000 0.813 587 Q CB 1.055 29.733 28.738 -0.101 0.000 1.299 587 Q HN -0.062 nan 8.270 nan 0.000 0.428 588 K N 1.739 122.172 120.400 0.056 0.000 2.438 588 K HA 0.242 4.562 4.320 -0.000 0.000 0.206 588 K C -0.070 176.610 176.600 0.132 0.000 1.081 588 K CA -0.154 56.194 56.287 0.100 0.000 1.053 588 K CB 1.334 33.945 32.500 0.184 0.000 0.908 588 K HN 0.526 nan 8.250 nan 0.000 0.556 589 S N 1.425 117.219 115.700 0.156 0.000 2.580 589 S HA 0.057 4.527 4.470 -0.000 0.000 0.274 589 S C 1.421 176.153 174.600 0.220 0.000 1.329 589 S CA -0.077 58.299 58.200 0.294 0.000 1.036 589 S CB 0.939 64.381 63.200 0.404 0.000 0.919 589 S HN 0.380 nan 8.310 nan 0.000 0.515 590 S N 3.871 119.725 115.700 0.258 0.000 2.462 590 S HA -0.030 4.440 4.470 -0.000 0.000 0.243 590 S C 0.559 175.252 174.600 0.156 0.000 1.003 590 S CA 0.683 58.983 58.200 0.167 0.000 0.970 590 S CB -0.545 62.722 63.200 0.111 0.000 0.762 590 S HN 0.707 nan 8.310 nan 0.000 0.510 591 I N -0.482 120.202 120.570 0.189 0.000 2.656 591 I HA 0.648 4.818 4.170 -0.000 0.000 0.292 591 I C 0.299 176.446 176.117 0.051 0.000 1.144 591 I CA -0.757 60.568 61.300 0.042 0.000 1.038 591 I CB 1.578 39.530 38.000 -0.080 0.000 1.244 591 I HN 0.150 nan 8.210 nan 0.000 0.420 592 G N 3.862 112.671 108.800 0.014 0.000 3.310 592 G HA2 0.184 4.144 3.960 -0.000 0.000 0.176 592 G HA3 0.184 4.144 3.960 -0.000 0.000 0.176 592 G C 0.327 175.291 174.900 0.107 0.000 1.307 592 G CA -0.222 44.926 45.100 0.080 0.000 0.935 592 G HN 0.628 nan 8.290 nan 0.000 0.628 593 N N 1.057 119.843 118.700 0.144 0.000 2.457 593 N HA -0.100 4.640 4.740 -0.000 0.000 0.180 593 N C 2.214 177.851 175.510 0.213 0.000 1.050 593 N CA 1.257 54.467 53.050 0.267 0.000 0.906 593 N CB 0.079 38.828 38.487 0.437 0.000 0.968 593 N HN 0.405 nan 8.380 nan 0.000 0.445 594 S N 0.755 116.519 115.700 0.106 0.000 2.447 594 S HA -0.026 4.444 4.470 -0.000 0.000 0.233 594 S C 1.834 176.471 174.600 0.062 0.000 1.006 594 S CA 0.151 58.395 58.200 0.074 0.000 0.957 594 S CB -0.239 62.979 63.200 0.030 0.000 0.773 594 S HN 0.109 nan 8.310 nan 0.000 0.507 595 L N 1.189 122.399 121.223 -0.022 0.000 2.179 595 L HA 0.343 4.683 4.340 -0.000 0.000 0.208 595 L C 2.036 178.977 176.870 0.119 0.000 1.096 595 L CA 1.049 55.818 54.840 -0.118 0.000 0.779 595 L CB -0.631 41.032 42.059 -0.660 0.000 0.922 595 L HN 0.326 nan 8.230 nan 0.000 0.443 596 I N -0.833 119.856 120.570 0.198 0.000 2.099 596 I HA -0.336 3.834 4.170 -0.000 0.000 0.239 596 I C 2.704 179.056 176.117 0.391 0.000 1.066 596 I CA 1.420 62.938 61.300 0.362 0.000 1.324 596 I CB -0.413 37.801 38.000 0.357 0.000 1.037 596 I HN 0.230 nan 8.210 nan 0.000 0.401 597 R N 0.408 121.161 120.500 0.422 0.000 2.112 597 R HA -0.219 4.120 4.340 -0.000 0.000 0.242 597 R C 2.326 178.770 176.300 0.241 0.000 1.137 597 R CA 2.533 58.861 56.100 0.379 0.000 0.944 597 R CB -0.513 29.950 30.300 0.270 0.000 0.857 597 R HN 0.340 nan 8.270 nan 0.000 0.435 598 T N -0.093 114.574 114.554 0.188 0.000 2.665 598 T HA -0.197 4.153 4.350 -0.000 0.000 0.268 598 T C 1.540 176.310 174.700 0.117 0.000 1.035 598 T CA 1.773 63.938 62.100 0.109 0.000 1.151 598 T CB -0.437 68.458 68.868 0.045 0.000 0.862 598 T HN 0.336 nan 8.240 nan 0.000 0.438 599 Y N 0.510 120.879 120.300 0.115 0.000 2.242 599 Y HA 0.057 4.607 4.550 0.000 0.000 0.291 599 Y C 2.543 178.518 175.900 0.126 0.000 1.137 599 Y CA 0.852 59.021 58.100 0.115 0.000 1.181 599 Y CB -0.395 38.212 38.460 0.245 0.000 0.989 599 Y HN 0.125 nan 8.280 nan 0.000 0.527 600 M N -0.100 119.686 119.600 0.309 0.000 2.082 600 M HA -0.279 4.201 4.480 -0.000 0.000 0.258 600 M C 2.338 178.751 176.300 0.189 0.000 1.069 600 M CA 1.861 57.288 55.300 0.211 0.000 1.102 600 M CB -0.225 32.424 32.600 0.081 0.000 1.336 600 M HN 0.171 nan 8.290 nan 0.000 0.404 601 E N 0.611 120.887 120.200 0.127 0.000 2.187 601 E HA -0.261 4.089 4.350 -0.000 0.000 0.199 601 E C 1.778 178.387 176.600 0.016 0.000 1.004 601 E CA 1.626 58.063 56.400 0.061 0.000 0.813 601 E CB -0.141 29.583 29.700 0.039 0.000 0.736 601 E HN 0.598 nan 8.360 nan 0.000 0.468 602 R N -0.292 120.216 120.500 0.014 0.000 2.189 602 R HA -0.043 4.297 4.340 -0.000 0.000 0.218 602 R C 1.350 177.608 176.300 -0.070 0.000 1.074 602 R CA 1.218 57.295 56.100 -0.039 0.000 0.991 602 R CB 0.175 30.436 30.300 -0.066 0.000 0.883 602 R HN 0.122 nan 8.270 nan 0.000 0.457 603 D N -2.243 118.116 120.400 -0.068 0.000 2.449 603 D HA 0.100 4.740 4.640 -0.000 0.000 0.255 603 D C -0.538 175.366 176.300 -0.660 0.000 1.121 603 D CA 0.410 54.216 54.000 -0.323 0.000 0.830 603 D CB 0.851 41.477 40.800 -0.290 0.000 1.280 603 D HN -0.010 nan 8.370 nan 0.000 0.522 604 Y N 0.221 120.459 120.300 -0.103 0.000 2.576 604 Y HA 0.457 5.007 4.550 -0.000 0.000 0.346 604 Y C 0.136 175.957 175.900 -0.132 0.000 1.018 604 Y CA -0.961 57.060 58.100 -0.132 0.000 1.050 604 Y CB 1.740 40.115 38.460 -0.142 0.000 1.280 604 Y HN -0.332 nan 8.280 nan 0.000 0.474 605 I N 3.353 123.899 120.570 -0.040 0.000 2.471 605 I HA 0.135 4.305 4.170 -0.000 0.000 0.286 605 I C -0.249 175.893 176.117 0.042 0.000 1.079 605 I CA 0.018 61.261 61.300 -0.094 0.000 1.398 605 I CB 0.360 38.131 38.000 -0.383 0.000 1.403 605 I HN 0.358 nan 8.210 nan 0.000 0.530 606 I N 9.022 129.634 120.570 0.069 0.000 2.578 606 I HA 0.081 4.251 4.170 -0.000 0.000 0.286 606 I C -1.837 174.367 176.117 0.144 0.000 1.126 606 I CA -1.435 59.943 61.300 0.130 0.000 1.380 606 I CB -0.175 37.917 38.000 0.153 0.000 1.408 606 I HN 0.299 nan 8.210 nan 0.000 0.532 607 P HA 0.059 nan 4.420 nan 0.000 0.270 607 P C 0.399 177.785 177.300 0.144 0.000 1.223 607 P CA -0.239 62.957 63.100 0.161 0.000 0.785 607 P CB 0.749 32.534 31.700 0.141 0.000 0.923 608 E N -0.181 120.088 120.200 0.115 0.000 2.086 608 E HA -0.023 4.327 4.350 -0.000 0.000 0.190 608 E C 0.748 177.399 176.600 0.086 0.000 0.975 608 E CA 0.865 57.318 56.400 0.087 0.000 0.813 608 E CB -0.517 29.230 29.700 0.077 0.000 0.768 608 E HN 0.567 nan 8.360 nan 0.000 0.457 609 S N 0.049 115.805 115.700 0.094 0.000 2.601 609 S HA 0.135 4.605 4.470 -0.000 0.000 0.271 609 S C 0.906 175.587 174.600 0.134 0.000 1.305 609 S CA -0.744 57.523 58.200 0.111 0.000 1.022 609 S CB 0.955 64.213 63.200 0.095 0.000 0.940 609 S HN 0.090 nan 8.310 nan 0.000 0.525 610 F N 1.983 121.942 119.950 0.017 0.000 2.095 610 F HA -0.069 4.458 4.527 -0.000 0.000 0.298 610 F C 2.094 177.897 175.800 0.005 0.000 1.104 610 F CA 2.160 60.149 58.000 -0.018 0.000 1.232 610 F CB -0.652 38.330 39.000 -0.029 0.000 0.987 610 F HN 0.742 nan 8.300 nan 0.000 0.475 611 E N 0.316 120.515 120.200 -0.001 0.000 2.085 611 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 611 E C 1.865 178.430 176.600 -0.057 0.000 0.994 611 E CA 1.765 58.123 56.400 -0.070 0.000 0.801 611 E CB -0.429 29.293 29.700 0.038 0.000 0.743 611 E HN 0.422 nan 8.360 nan 0.000 0.453 612 D N -0.603 119.804 120.400 0.011 0.000 2.149 612 D HA -0.109 4.531 4.640 -0.000 0.000 0.201 612 D C 1.566 177.872 176.300 0.010 0.000 0.972 612 D CA 0.487 54.535 54.000 0.079 0.000 0.835 612 D CB -0.309 40.546 40.800 0.092 0.000 0.966 612 D HN 0.105 nan 8.370 nan 0.000 0.476 613 F N 1.278 121.101 119.950 -0.212 0.000 2.095 613 F HA -0.241 4.286 4.527 -0.000 0.000 0.298 613 F C 2.186 177.723 175.800 -0.438 0.000 1.104 613 F CA 1.133 58.940 58.000 -0.322 0.000 1.232 613 F CB -0.223 38.552 39.000 -0.376 0.000 0.987 613 F HN -0.204 nan 8.300 nan 0.000 0.475 614 V N -0.292 119.350 119.914 -0.455 0.000 2.343 614 V HA -0.328 3.792 4.120 -0.000 0.000 0.247 614 V C 2.074 177.992 176.094 -0.294 0.000 1.051 614 V CA 2.203 64.229 62.300 -0.456 0.000 1.036 614 V CB -1.151 30.380 31.823 -0.485 0.000 0.654 614 V HN 0.596 nan 8.190 nan 0.000 0.451 615 Y N 0.919 121.067 120.300 -0.252 0.000 2.145 615 Y HA -0.202 4.347 4.550 -0.000 0.000 0.286 615 Y C 2.277 178.014 175.900 -0.272 0.000 1.145 615 Y CA 1.963 59.961 58.100 -0.170 0.000 1.148 615 Y CB -0.524 37.939 38.460 0.004 0.000 0.981 615 Y HN 0.061 nan 8.280 nan 0.000 0.507 616 V N 0.577 120.010 119.914 -0.801 0.000 2.548 616 V HA -0.170 3.950 4.120 -0.000 0.000 0.249 616 V C 2.658 178.217 176.094 -0.891 0.000 1.055 616 V CA 1.643 63.359 62.300 -0.974 0.000 1.065 616 V CB -1.542 29.860 31.823 -0.701 0.000 0.681 616 V HN 0.638 nan 8.190 nan 0.000 0.462 617 G N 0.281 108.615 108.800 -0.777 0.000 2.442 617 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.219 617 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.219 617 G C 1.569 176.191 174.900 -0.464 0.000 1.141 617 G CA 1.006 45.745 45.100 -0.602 0.000 0.763 617 G HN 0.478 nan 8.290 nan 0.000 0.554 618 L N 0.126 121.046 121.223 -0.505 0.000 2.017 618 L HA -0.108 4.231 4.340 -0.000 0.000 0.208 618 L C 3.005 179.486 176.870 -0.647 0.000 1.073 618 L CA 0.662 55.165 54.840 -0.562 0.000 0.745 618 L CB -0.677 40.997 42.059 -0.641 0.000 0.894 618 L HN 0.091 nan 8.230 nan 0.000 0.432 619 V N -0.030 119.482 119.914 -0.670 0.000 2.295 619 V HA -0.298 3.822 4.120 -0.000 0.000 0.246 619 V C 2.411 178.190 176.094 -0.525 0.000 1.049 619 V CA 1.840 63.794 62.300 -0.577 0.000 1.024 619 V CB -0.504 30.959 31.823 -0.600 0.000 0.648 619 V HN 0.346 nan 8.190 nan 0.000 0.447 620 L N 0.170 121.011 121.223 -0.636 0.000 1.971 620 L HA -0.266 4.074 4.340 -0.000 0.000 0.215 620 L C 2.574 179.181 176.870 -0.438 0.000 1.072 620 L CA 2.638 57.191 54.840 -0.477 0.000 0.758 620 L CB -0.865 40.926 42.059 -0.446 0.000 0.889 620 L HN 0.439 nan 8.230 nan 0.000 0.433 621 Q N -0.692 118.917 119.800 -0.320 0.000 2.030 621 Q HA -0.205 4.135 4.340 -0.000 0.000 0.204 621 Q C 2.080 177.831 176.000 -0.416 0.000 0.986 621 Q CA 2.120 57.786 55.803 -0.228 0.000 0.843 621 Q CB -0.684 28.003 28.738 -0.085 0.000 0.904 621 Q HN 0.675 nan 8.270 nan 0.000 0.420 622 G N 0.550 109.083 108.800 -0.446 0.000 2.476 622 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.218 622 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.218 622 G C 1.412 176.058 174.900 -0.423 0.000 1.164 622 G CA 0.850 45.682 45.100 -0.447 0.000 0.768 622 G HN 0.339 nan 8.290 nan 0.000 0.560 623 Q N 0.193 119.745 119.800 -0.413 0.000 2.083 623 Q HA -0.014 4.326 4.340 -0.000 0.000 0.198 623 Q C 2.853 178.560 176.000 -0.488 0.000 0.969 623 Q CA 1.381 56.974 55.803 -0.351 0.000 0.838 623 Q CB -0.673 27.922 28.738 -0.238 0.000 0.900 623 Q HN 0.458 nan 8.270 nan 0.000 0.436 624 G N 0.402 108.676 108.800 -0.876 0.000 2.394 624 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.215 624 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.215 624 G C 1.481 175.813 174.900 -0.946 0.000 1.165 624 G CA 0.355 44.484 45.100 -1.619 0.000 0.784 624 G HN 0.131 nan 8.290 nan 0.000 0.535 625 M N 0.574 119.772 119.600 -0.669 0.000 2.086 625 M HA 0.010 4.490 4.480 -0.000 0.000 0.261 625 M C 2.495 178.660 176.300 -0.225 0.000 1.067 625 M CA 0.896 56.003 55.300 -0.322 0.000 1.116 625 M CB -0.982 31.341 32.600 -0.461 0.000 1.348 625 M HN 0.248 nan 8.290 nan 0.000 0.407 626 R N -0.088 120.218 120.500 -0.323 0.000 2.133 626 R HA -0.250 4.090 4.340 -0.000 0.000 0.247 626 R C 1.885 178.085 176.300 -0.166 0.000 1.151 626 R CA 2.172 58.115 56.100 -0.261 0.000 0.971 626 R CB -1.014 29.133 30.300 -0.254 0.000 0.866 626 R HN 0.445 nan 8.270 nan 0.000 0.447 627 H N -0.669 118.262 119.070 -0.232 0.000 2.387 627 H HA 0.008 4.564 4.556 -0.000 0.000 0.299 627 H C 1.858 177.081 175.328 -0.174 0.000 1.090 627 H CA 2.148 58.092 56.048 -0.172 0.000 1.332 627 H CB -0.472 29.196 29.762 -0.157 0.000 1.386 627 H HN 0.412 nan 8.280 nan 0.000 0.516 628 G N 0.157 108.894 108.800 -0.105 0.000 2.414 628 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.215 628 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.215 628 G C 1.699 176.156 174.900 -0.739 0.000 1.188 628 G CA 0.821 45.699 45.100 -0.368 0.000 0.783 628 G HN 0.390 nan 8.290 nan 0.000 0.537 629 L N 0.283 121.377 121.223 -0.215 0.000 2.042 629 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 629 L C 2.892 179.701 176.870 -0.101 0.000 1.076 629 L CA 1.498 56.318 54.840 -0.032 0.000 0.749 629 L CB -0.551 41.527 42.059 0.031 0.000 0.893 629 L HN 0.294 nan 8.230 nan 0.000 0.432 630 E N 0.305 120.389 120.200 -0.194 0.000 2.058 630 E HA -0.255 4.095 4.350 -0.000 0.000 0.194 630 E C 2.349 178.786 176.600 -0.272 0.000 0.997 630 E CA 1.245 57.519 56.400 -0.210 0.000 0.801 630 E CB -0.273 29.289 29.700 -0.229 0.000 0.746 630 E HN 0.514 nan 8.360 nan 0.000 0.450 631 A N 1.260 123.845 122.820 -0.391 0.000 1.892 631 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 631 A C 1.780 179.290 177.584 -0.124 0.000 1.188 631 A CA 2.012 53.854 52.037 -0.325 0.000 0.631 631 A CB -1.081 17.696 19.000 -0.373 0.000 0.822 631 A HN 0.374 nan 8.150 nan 0.000 0.447 632 H N -1.057 117.947 119.070 -0.109 0.000 2.293 632 H HA -0.088 4.468 4.556 -0.000 0.000 0.300 632 H C 2.528 177.908 175.328 0.087 0.000 1.082 632 H CA 1.224 57.290 56.048 0.030 0.000 1.308 632 H CB -0.108 29.686 29.762 0.053 0.000 1.375 632 H HN 0.399 nan 8.280 nan 0.000 0.495 633 R N 0.692 121.183 120.500 -0.015 0.000 2.096 633 R HA -0.153 4.187 4.340 -0.000 0.000 0.240 633 R C 2.486 178.596 176.300 -0.316 0.000 1.139 633 R CA 1.296 57.076 56.100 -0.533 0.000 0.952 633 R CB -0.301 29.730 30.300 -0.449 0.000 0.854 633 R HN 0.288 nan 8.270 nan 0.000 0.436 634 R N 0.804 121.170 120.500 -0.224 0.000 2.159 634 R HA -0.068 4.272 4.340 -0.000 0.000 0.237 634 R C 0.833 177.032 176.300 -0.167 0.000 1.131 634 R CA 1.220 57.161 56.100 -0.266 0.000 0.982 634 R CB 0.010 30.044 30.300 -0.443 0.000 0.868 634 R HN 0.240 nan 8.270 nan 0.000 0.453 635 N N 0.928 119.594 118.700 -0.057 0.000 2.295 635 N HA -0.035 4.705 4.740 -0.000 0.000 0.221 635 N C -0.436 175.170 175.510 0.161 0.000 1.129 635 N CA -0.070 53.009 53.050 0.048 0.000 0.836 635 N CB 0.365 38.892 38.487 0.067 0.000 1.040 635 N HN 0.183 nan 8.380 nan 0.000 0.494 636 R N 2.384 122.957 120.500 0.121 0.000 2.491 636 R HA 0.096 4.436 4.340 -0.000 0.000 0.283 636 R C -1.559 174.818 176.300 0.127 0.000 1.072 636 R CA -0.784 55.418 56.100 0.170 0.000 1.048 636 R CB 0.765 31.130 30.300 0.107 0.000 0.983 636 R HN -0.009 nan 8.270 nan 0.000 0.450 637 P HA -0.040 nan 4.420 nan 0.000 0.257 637 P C 0.672 178.056 177.300 0.140 0.000 1.241 637 P CA 0.249 63.416 63.100 0.110 0.000 0.816 637 P CB -0.061 31.657 31.700 0.032 0.000 1.150 638 Y N 0.917 121.266 120.300 0.081 0.000 2.102 638 Y HA -0.216 4.334 4.550 -0.000 0.000 0.280 638 Y C 1.188 177.157 175.900 0.116 0.000 1.178 638 Y CA 1.380 59.537 58.100 0.095 0.000 1.146 638 Y CB -0.639 37.874 38.460 0.089 0.000 0.968 638 Y HN 0.033 nan 8.280 nan 0.000 0.504 639 C N 1.676 121.160 119.300 0.307 0.000 2.341 639 C HA 0.412 4.872 4.460 -0.000 0.000 0.338 639 C C 0.670 175.794 174.990 0.223 0.000 1.257 639 C CA -0.778 58.367 59.018 0.211 0.000 1.883 639 C CB 0.325 28.215 27.740 0.250 0.000 2.334 639 C HN 0.629 nan 8.230 nan 0.000 0.524 640 M N 4.138 123.734 119.600 -0.005 0.000 2.340 640 M HA 0.325 4.805 4.480 -0.000 0.000 0.345 640 M C 0.414 176.182 176.300 -0.887 0.000 1.008 640 M CA 0.201 55.420 55.300 -0.134 0.000 0.987 640 M CB 0.117 32.821 32.600 0.173 0.000 1.598 640 M HN 0.999 nan 8.290 nan 0.000 0.569 641 G N -0.540 107.361 108.800 -1.498 0.000 2.368 641 G HA2 0.403 4.363 3.960 -0.000 0.000 0.293 641 G HA3 0.403 4.363 3.960 -0.000 0.000 0.293 641 G C -1.643 172.424 174.900 -1.388 0.000 1.467 641 G CA -0.360 43.572 45.100 -1.948 0.000 0.804 641 G HN -0.113 nan 8.290 nan 0.000 0.535 642 T N 0.184 114.271 114.554 -0.779 0.000 3.293 642 T HA 0.562 4.912 4.350 -0.000 0.000 0.320 642 T C -1.262 173.454 174.700 0.027 0.000 0.995 642 T CA -0.426 61.544 62.100 -0.217 0.000 1.041 642 T CB 0.459 69.501 68.868 0.290 0.000 1.058 642 T HN 0.616 nan 8.240 nan 0.000 0.453 643 L N 6.569 127.834 121.223 0.070 0.000 2.318 643 L HA 0.550 4.890 4.340 -0.000 0.000 0.277 643 L C -0.190 176.746 176.870 0.110 0.000 1.008 643 L CA -1.342 53.530 54.840 0.054 0.000 0.846 643 L CB 0.789 42.817 42.059 -0.052 0.000 1.220 643 L HN 0.692 nan 8.230 nan 0.000 0.423 644 Y N 0.450 120.783 120.300 0.055 0.000 2.326 644 Y HA 0.260 4.810 4.550 -0.000 0.000 0.333 644 Y C -0.287 175.490 175.900 -0.205 0.000 1.240 644 Y CA -0.933 57.044 58.100 -0.205 0.000 1.365 644 Y CB 0.681 38.850 38.460 -0.485 0.000 1.289 644 Y HN 0.586 nan 8.280 nan 0.000 0.548 645 W N 6.787 127.950 121.300 -0.229 0.000 2.316 645 W HA 0.361 5.021 4.660 -0.000 0.000 0.308 645 W C -1.426 175.055 176.519 -0.064 0.000 1.106 645 W CA -0.596 56.619 57.345 -0.217 0.000 1.262 645 W CB 1.124 30.539 29.460 -0.074 0.000 1.233 645 W HN 0.913 nan 8.180 nan 0.000 0.447 646 Q N 4.430 123.914 119.800 -0.527 0.000 2.418 646 Q HA 0.209 4.548 4.340 -0.000 0.000 0.282 646 Q C -0.400 175.187 176.000 -0.688 0.000 1.044 646 Q CA -0.814 54.286 55.803 -1.172 0.000 0.813 646 Q CB 1.851 29.326 28.738 -2.104 0.000 1.428 646 Q HN 0.415 nan 8.270 nan 0.000 0.402 647 L N 1.659 122.426 121.223 -0.760 0.000 1.994 647 L HA -0.035 4.305 4.340 -0.000 0.000 0.208 647 L C 0.058 176.669 176.870 -0.431 0.000 1.071 647 L CA 2.206 56.748 54.840 -0.498 0.000 0.745 647 L CB -0.252 41.535 42.059 -0.452 0.000 0.892 647 L HN 0.914 nan 8.230 nan 0.000 0.431 648 N N -2.134 116.230 118.700 -0.560 0.000 2.774 648 N HA 0.283 5.023 4.740 -0.000 0.000 0.264 648 N C -1.634 173.568 175.510 -0.513 0.000 1.415 648 N CA -0.706 52.058 53.050 -0.477 0.000 0.815 648 N CB 1.178 39.398 38.487 -0.444 0.000 1.514 648 N HN -0.097 nan 8.380 nan 0.000 0.523 649 D N -0.826 119.366 120.400 -0.348 0.000 2.433 649 D HA 0.311 4.951 4.640 -0.000 0.000 0.236 649 D C 0.275 176.530 176.300 -0.075 0.000 1.026 649 D CA -0.364 53.496 54.000 -0.234 0.000 0.884 649 D CB 2.129 42.853 40.800 -0.127 0.000 1.384 649 D HN 0.615 nan 8.370 nan 0.000 0.477 650 S N 0.161 115.881 115.700 0.034 0.000 2.540 650 S HA 0.170 4.640 4.470 -0.000 0.000 0.218 650 S C 0.272 174.892 174.600 0.034 0.000 0.977 650 S CA -0.383 57.913 58.200 0.160 0.000 0.918 650 S CB 0.295 63.630 63.200 0.224 0.000 0.806 650 S HN 0.594 nan 8.310 nan 0.000 0.496 651 W N -0.462 120.467 121.300 -0.618 0.000 3.057 651 W HA 0.499 5.159 4.660 -0.000 0.000 0.328 651 W C -3.886 172.091 176.519 -0.903 0.000 1.232 651 W CA -2.577 53.864 57.345 -1.507 0.000 1.187 651 W CB -0.253 28.270 29.460 -1.561 0.000 1.417 651 W HN -0.224 nan 8.180 nan 0.000 0.569 652 P HA 0.294 nan 4.420 nan 0.000 0.269 652 P C -0.413 176.143 177.300 -1.239 0.000 1.252 652 P CA 0.511 63.221 63.100 -0.651 0.000 0.780 652 P CB 1.210 32.888 31.700 -0.037 0.000 0.829 653 V N 4.413 123.766 119.914 -0.934 0.000 3.232 653 V HA 0.333 4.453 4.120 -0.000 0.000 0.303 653 V C -1.087 174.701 176.094 -0.509 0.000 1.311 653 V CA -1.025 60.703 62.300 -0.953 0.000 1.061 653 V CB 2.732 33.984 31.823 -0.952 0.000 1.085 653 V HN 0.032 nan 8.190 nan 0.000 0.447 654 V N 4.170 123.784 119.914 -0.500 0.000 2.432 654 V HA 0.762 4.882 4.120 -0.000 0.000 0.271 654 V C 0.306 176.132 176.094 -0.446 0.000 1.046 654 V CA 0.814 62.801 62.300 -0.520 0.000 0.945 654 V CB 0.550 31.912 31.823 -0.767 0.000 0.992 654 V HN 1.163 nan 8.190 nan 0.000 0.471 655 S N 3.688 119.111 115.700 -0.463 0.000 2.727 655 S HA 0.428 4.898 4.470 -0.000 0.000 0.278 655 S C -0.244 174.047 174.600 -0.515 0.000 1.186 655 S CA -0.844 57.095 58.200 -0.436 0.000 0.836 655 S CB 1.099 64.268 63.200 -0.052 0.000 1.186 655 S HN 0.532 nan 8.310 nan 0.000 0.499 656 W N 2.437 123.584 121.300 -0.255 0.000 3.180 656 W HA 0.198 4.858 4.660 -0.000 0.000 0.254 656 W C 1.254 177.601 176.519 -0.287 0.000 1.318 656 W CA 0.182 57.372 57.345 -0.258 0.000 1.608 656 W CB -0.462 28.979 29.460 -0.032 0.000 1.124 656 W HN 0.801 nan 8.180 nan 0.000 0.694 657 S N 0.878 116.499 115.700 -0.131 0.000 2.566 657 S HA -0.028 4.442 4.470 -0.000 0.000 0.280 657 S C 1.287 175.781 174.600 -0.177 0.000 1.343 657 S CA 0.427 58.496 58.200 -0.219 0.000 1.036 657 S CB 1.555 64.598 63.200 -0.261 0.000 0.866 657 S HN 0.149 nan 8.310 nan 0.000 0.526 658 S N 2.022 117.639 115.700 -0.138 0.000 2.524 658 S HA 0.318 4.788 4.470 -0.000 0.000 0.216 658 S C 0.261 174.728 174.600 -0.221 0.000 0.987 658 S CA -0.402 57.709 58.200 -0.149 0.000 0.909 658 S CB -0.646 62.540 63.200 -0.023 0.000 0.781 658 S HN 0.710 nan 8.310 nan 0.000 0.521 659 I N 2.928 123.342 120.570 -0.260 0.000 2.534 659 I HA 0.328 4.498 4.170 -0.000 0.000 0.288 659 I C -1.056 174.961 176.117 -0.166 0.000 1.077 659 I CA -0.991 60.155 61.300 -0.258 0.000 1.051 659 I CB 2.105 39.856 38.000 -0.415 0.000 1.234 659 I HN 0.127 nan 8.210 nan 0.000 0.425 660 D N 4.415 124.778 120.400 -0.063 0.000 2.398 660 D HA -0.071 4.569 4.640 -0.000 0.000 0.247 660 D C 1.079 177.359 176.300 -0.033 0.000 1.227 660 D CA -0.117 53.867 54.000 -0.026 0.000 0.980 660 D CB 0.515 41.358 40.800 0.072 0.000 1.106 660 D HN 0.559 nan 8.370 nan 0.000 0.493 661 Y N 0.036 120.223 120.300 -0.187 0.000 2.228 661 Y HA -0.297 4.253 4.550 0.000 0.000 0.285 661 Y C 1.081 176.783 175.900 -0.331 0.000 1.178 661 Y CA 1.679 59.591 58.100 -0.313 0.000 1.202 661 Y CB -0.331 37.852 38.460 -0.462 0.000 0.974 661 Y HN 0.435 nan 8.280 nan 0.000 0.527 662 Y N -0.417 119.846 120.300 -0.061 0.000 2.466 662 Y HA 0.285 4.835 4.550 -0.000 0.000 0.272 662 Y C 1.878 177.747 175.900 -0.053 0.000 1.169 662 Y CA 0.358 58.410 58.100 -0.080 0.000 1.285 662 Y CB 0.182 38.689 38.460 0.079 0.000 1.078 662 Y HN 0.211 nan 8.280 nan 0.000 0.523 663 G N -0.062 108.758 108.800 0.033 0.000 2.157 663 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.248 663 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.248 663 G C -0.171 174.828 174.900 0.164 0.000 0.979 663 G CA -0.292 44.837 45.100 0.049 0.000 0.650 663 G HN 0.293 nan 8.290 nan 0.000 0.529 664 N N 0.561 119.380 118.700 0.198 0.000 2.452 664 N HA 0.213 4.953 4.740 -0.000 0.000 0.266 664 N C 0.078 175.765 175.510 0.295 0.000 1.175 664 N CA 0.075 53.284 53.050 0.266 0.000 0.945 664 N CB 0.374 39.015 38.487 0.256 0.000 1.063 664 N HN 0.241 nan 8.380 nan 0.000 0.472 665 W N 2.603 123.913 121.300 0.017 0.000 2.322 665 W HA 0.092 4.752 4.660 -0.000 0.000 0.328 665 W C 1.128 177.681 176.519 0.057 0.000 1.395 665 W CA -0.168 57.131 57.345 -0.076 0.000 1.267 665 W CB -0.029 29.273 29.460 -0.265 0.000 1.259 665 W HN 0.210 nan 8.180 nan 0.000 0.560 666 K N 2.290 122.735 120.400 0.076 0.000 2.117 666 K HA 0.413 4.733 4.320 -0.000 0.000 0.240 666 K C 1.269 177.715 176.600 -0.258 0.000 1.031 666 K CA -0.089 56.120 56.287 -0.130 0.000 0.909 666 K CB 0.614 32.967 32.500 -0.245 0.000 1.097 666 K HN 0.437 nan 8.250 nan 0.000 0.492 667 A N 1.179 123.383 122.820 -1.027 0.000 1.958 667 A HA -0.203 4.117 4.320 -0.000 0.000 0.221 667 A C 1.976 179.319 177.584 -0.401 0.000 1.178 667 A CA 1.705 53.096 52.037 -1.077 0.000 0.642 667 A CB -0.585 17.501 19.000 -1.524 0.000 0.816 667 A HN 0.644 nan 8.150 nan 0.000 0.453 668 L N -1.089 119.874 121.223 -0.434 0.000 2.127 668 L HA -0.185 4.155 4.340 -0.000 0.000 0.211 668 L C 2.159 178.763 176.870 -0.444 0.000 1.089 668 L CA 2.694 57.271 54.840 -0.438 0.000 0.757 668 L CB -0.816 40.959 42.059 -0.473 0.000 0.899 668 L HN 0.583 nan 8.230 nan 0.000 0.434 669 H N -2.059 116.746 119.070 -0.441 0.000 2.363 669 H HA -0.129 4.427 4.556 -0.000 0.000 0.301 669 H C 1.847 176.848 175.328 -0.544 0.000 1.074 669 H CA 2.279 57.937 56.048 -0.651 0.000 1.354 669 H CB -0.154 28.968 29.762 -1.067 0.000 1.397 669 H HN 0.455 nan 8.280 nan 0.000 0.516 670 Y N 0.117 120.414 120.300 -0.005 0.000 2.224 670 Y HA -0.206 4.344 4.550 -0.000 0.000 0.289 670 Y C 2.550 178.394 175.900 -0.094 0.000 1.146 670 Y CA 1.059 59.239 58.100 0.132 0.000 1.182 670 Y CB -0.137 38.489 38.460 0.277 0.000 0.983 670 Y HN 0.255 nan 8.280 nan 0.000 0.524 671 Q N -0.145 119.613 119.800 -0.070 0.000 2.167 671 Q HA -0.095 4.244 4.340 -0.000 0.000 0.202 671 Q C 2.576 178.350 176.000 -0.377 0.000 0.970 671 Q CA 1.192 56.873 55.803 -0.203 0.000 0.855 671 Q CB -0.544 28.035 28.738 -0.266 0.000 0.911 671 Q HN 0.547 nan 8.270 nan 0.000 0.438 672 A N 1.729 124.198 122.820 -0.585 0.000 1.898 672 A HA -0.219 4.101 4.320 -0.000 0.000 0.216 672 A C 2.159 179.315 177.584 -0.713 0.000 1.181 672 A CA 1.789 53.301 52.037 -0.875 0.000 0.620 672 A CB -0.440 17.968 19.000 -0.986 0.000 0.819 672 A HN 0.320 nan 8.150 nan 0.000 0.442 673 K N -0.180 119.950 120.400 -0.450 0.000 2.009 673 K HA -0.212 4.107 4.320 -0.000 0.000 0.210 673 K C 2.222 178.785 176.600 -0.063 0.000 1.049 673 K CA 1.797 57.977 56.287 -0.178 0.000 0.929 673 K CB -0.249 32.231 32.500 -0.033 0.000 0.714 673 K HN 0.448 nan 8.250 nan 0.000 0.440 674 R N -0.128 120.334 120.500 -0.063 0.000 2.081 674 R HA -0.092 4.248 4.340 -0.000 0.000 0.235 674 R C 2.368 178.642 176.300 -0.044 0.000 1.131 674 R CA 1.388 57.474 56.100 -0.023 0.000 0.960 674 R CB -0.405 29.887 30.300 -0.013 0.000 0.856 674 R HN 0.303 nan 8.270 nan 0.000 0.436 675 A N 0.042 122.778 122.820 -0.140 0.000 2.167 675 A HA -0.028 4.292 4.320 -0.000 0.000 0.214 675 A C 1.093 178.748 177.584 0.118 0.000 1.151 675 A CA 0.761 52.737 52.037 -0.101 0.000 0.735 675 A CB -0.026 18.835 19.000 -0.232 0.000 0.802 675 A HN 0.177 nan 8.150 nan 0.000 0.467 676 F N -0.543 119.373 119.950 -0.057 0.000 2.678 676 F HA 0.455 4.982 4.527 -0.000 0.000 0.305 676 F C 1.382 177.163 175.800 -0.031 0.000 1.090 676 F CA -1.023 56.953 58.000 -0.040 0.000 1.272 676 F CB -0.834 38.142 39.000 -0.040 0.000 1.060 676 F HN 0.161 nan 8.300 nan 0.000 0.576 677 A N 1.665 124.576 122.820 0.151 0.000 2.565 677 A HA 0.139 4.459 4.320 -0.000 0.000 0.237 677 A C -1.199 176.427 177.584 0.070 0.000 1.053 677 A CA -0.669 51.422 52.037 0.091 0.000 0.755 677 A CB -0.230 18.805 19.000 0.059 0.000 0.980 677 A HN 0.066 nan 8.150 nan 0.000 0.506 678 P HA -0.108 nan 4.420 nan 0.000 0.216 678 P C 0.131 177.461 177.300 0.050 0.000 1.157 678 P CA 1.130 64.266 63.100 0.060 0.000 0.880 678 P CB 0.024 31.770 31.700 0.076 0.000 0.791 679 V N 0.530 120.470 119.914 0.044 0.000 2.347 679 V HA 0.280 4.400 4.120 -0.000 0.000 0.280 679 V C -0.150 175.957 176.094 0.022 0.000 1.021 679 V CA -0.676 61.643 62.300 0.031 0.000 0.847 679 V CB 1.221 33.062 31.823 0.030 0.000 0.990 679 V HN -0.124 nan 8.190 nan 0.000 0.444 680 L N 6.853 128.084 121.223 0.014 0.000 2.322 680 L HA 0.653 4.993 4.340 -0.000 0.000 0.281 680 L C -0.397 176.481 176.870 0.013 0.000 1.014 680 L CA -0.081 54.765 54.840 0.009 0.000 0.815 680 L CB 1.673 43.731 42.059 -0.001 0.000 1.247 680 L HN 0.527 nan 8.230 nan 0.000 0.421 681 I N 4.758 125.335 120.570 0.013 0.000 2.312 681 I HA 0.281 4.451 4.170 -0.000 0.000 0.291 681 I C 0.134 176.267 176.117 0.027 0.000 1.031 681 I CA 0.024 61.337 61.300 0.021 0.000 1.293 681 I CB 0.519 38.524 38.000 0.008 0.000 1.403 681 I HN 0.597 nan 8.210 nan 0.000 0.484 682 N N 8.724 127.455 118.700 0.051 0.000 2.626 682 N HA 0.349 5.089 4.740 -0.000 0.000 0.242 682 N C -2.659 172.894 175.510 0.072 0.000 1.005 682 N CA -1.624 51.449 53.050 0.037 0.000 0.905 682 N CB 1.530 40.010 38.487 -0.012 0.000 1.128 682 N HN 0.230 nan 8.380 nan 0.000 0.512 683 P HA 0.178 nan 4.420 nan 0.000 0.276 683 P C -0.824 176.457 177.300 -0.032 0.000 1.243 683 P CA -0.310 62.758 63.100 -0.054 0.000 0.768 683 P CB 1.105 32.679 31.700 -0.211 0.000 0.856 684 I N 2.381 122.958 120.570 0.013 0.000 2.447 684 I HA 0.311 4.481 4.170 -0.000 0.000 0.287 684 I C -0.763 175.417 176.117 0.105 0.000 1.023 684 I CA -0.803 60.539 61.300 0.071 0.000 1.083 684 I CB 1.831 39.844 38.000 0.021 0.000 1.245 684 I HN 0.234 nan 8.210 nan 0.000 0.434 685 Q N 6.568 126.479 119.800 0.185 0.000 2.333 685 Q HA 0.580 4.919 4.340 -0.000 0.000 0.265 685 Q C -1.522 174.584 176.000 0.177 0.000 0.989 685 Q CA -0.550 55.378 55.803 0.209 0.000 0.842 685 Q CB 1.191 30.135 28.738 0.343 0.000 1.262 685 Q HN 0.696 nan 8.270 nan 0.000 0.451 686 Q N 2.460 122.346 119.800 0.143 0.000 2.379 686 Q HA 0.306 4.646 4.340 -0.000 0.000 0.278 686 Q C -0.938 175.121 176.000 0.098 0.000 1.068 686 Q CA -0.804 55.066 55.803 0.113 0.000 0.816 686 Q CB 1.869 30.665 28.738 0.098 0.000 1.387 686 Q HN 0.852 nan 8.270 nan 0.000 0.413 687 N N 1.373 120.121 118.700 0.080 0.000 2.740 687 N HA -0.239 4.501 4.740 -0.000 0.000 0.248 687 N C -0.996 174.557 175.510 0.071 0.000 1.062 687 N CA 0.770 53.859 53.050 0.066 0.000 0.704 687 N CB -0.815 37.706 38.487 0.057 0.000 0.968 687 N HN 0.918 nan 8.380 nan 0.000 0.547 688 D N -1.165 119.285 120.400 0.085 0.000 2.811 688 D HA -0.210 4.430 4.640 -0.000 0.000 0.231 688 D C -0.693 175.674 176.300 0.113 0.000 1.157 688 D CA 1.689 55.743 54.000 0.090 0.000 0.716 688 D CB -0.704 40.130 40.800 0.057 0.000 1.077 688 D HN 0.561 nan 8.370 nan 0.000 0.428 689 S N -0.878 114.901 115.700 0.131 0.000 2.570 689 S HA 0.721 5.191 4.470 -0.000 0.000 0.286 689 S C -1.301 173.408 174.600 0.182 0.000 1.099 689 S CA -1.002 57.285 58.200 0.145 0.000 0.913 689 S CB 1.585 64.840 63.200 0.091 0.000 1.085 689 S HN 0.292 nan 8.310 nan 0.000 0.480 690 L N 3.106 124.459 121.223 0.217 0.000 2.322 690 L HA 0.766 5.106 4.340 -0.000 0.000 0.281 690 L C -0.581 176.375 176.870 0.142 0.000 1.014 690 L CA 0.242 55.213 54.840 0.218 0.000 0.815 690 L CB 1.876 44.164 42.059 0.383 0.000 1.247 690 L HN 0.684 nan 8.230 nan 0.000 0.421 691 S N 2.994 118.774 115.700 0.134 0.000 2.513 691 S HA 0.805 5.275 4.470 -0.000 0.000 0.299 691 S C -1.151 173.554 174.600 0.174 0.000 1.087 691 S CA -0.548 57.727 58.200 0.126 0.000 1.012 691 S CB 1.980 65.301 63.200 0.203 0.000 1.044 691 S HN 0.400 nan 8.310 nan 0.000 0.485 692 V N 3.624 123.610 119.914 0.120 0.000 2.487 692 V HA 0.477 4.597 4.120 -0.000 0.000 0.298 692 V C -1.430 174.679 176.094 0.024 0.000 1.028 692 V CA -0.631 61.746 62.300 0.130 0.000 0.860 692 V CB 0.936 32.824 31.823 0.108 0.000 0.991 692 V HN 0.863 nan 8.190 nan 0.000 0.427 693 Y N 4.157 124.460 120.300 0.004 0.000 2.409 693 Y HA 0.658 5.208 4.550 -0.000 0.000 0.339 693 Y C 0.023 175.914 175.900 -0.014 0.000 1.033 693 Y CA -0.899 57.197 58.100 -0.006 0.000 1.094 693 Y CB 1.962 40.409 38.460 -0.020 0.000 1.210 693 Y HN 0.415 nan 8.280 nan 0.000 0.456 694 L N 5.210 126.504 121.223 0.119 0.000 2.280 694 L HA 0.517 4.857 4.340 -0.000 0.000 0.287 694 L C -0.865 176.048 176.870 0.071 0.000 1.023 694 L CA -0.409 54.471 54.840 0.066 0.000 0.819 694 L CB 0.980 43.054 42.059 0.025 0.000 1.212 694 L HN 0.525 nan 8.230 nan 0.000 0.420 695 I N 2.564 123.159 120.570 0.043 0.000 2.362 695 I HA 0.316 4.486 4.170 -0.000 0.000 0.289 695 I C -0.049 176.068 176.117 -0.000 0.000 0.994 695 I CA -0.102 61.201 61.300 0.005 0.000 1.158 695 I CB 1.974 39.946 38.000 -0.045 0.000 1.315 695 I HN 0.513 nan 8.210 nan 0.000 0.451 696 S N 4.058 119.763 115.700 0.008 0.000 2.532 696 S HA 0.391 4.861 4.470 -0.000 0.000 0.299 696 S C -0.380 174.252 174.600 0.052 0.000 1.105 696 S CA -0.609 57.610 58.200 0.031 0.000 1.018 696 S CB 1.404 64.629 63.200 0.042 0.000 1.021 696 S HN 0.556 nan 8.310 nan 0.000 0.483 697 D N 2.702 123.154 120.400 0.086 0.000 2.462 697 D HA 0.236 4.876 4.640 -0.000 0.000 0.221 697 D C 0.287 176.775 176.300 0.314 0.000 1.173 697 D CA -0.030 54.078 54.000 0.180 0.000 0.831 697 D CB 0.397 41.264 40.800 0.111 0.000 1.001 697 D HN 0.437 nan 8.370 nan 0.000 0.499 698 R N 0.318 120.935 120.500 0.194 0.000 2.582 698 R HA 0.310 4.650 4.340 -0.000 0.000 0.271 698 R C 1.456 177.803 176.300 0.077 0.000 1.078 698 R CA -0.367 55.831 56.100 0.163 0.000 1.127 698 R CB 1.390 31.743 30.300 0.087 0.000 1.038 698 R HN 0.015 nan 8.270 nan 0.000 0.500 699 L N 0.829 122.015 121.223 -0.062 0.000 2.313 699 L HA -0.051 4.289 4.340 -0.000 0.000 0.214 699 L C 0.725 177.521 176.870 -0.124 0.000 1.119 699 L CA 0.700 55.396 54.840 -0.240 0.000 0.809 699 L CB -0.264 41.527 42.059 -0.446 0.000 0.933 699 L HN 0.674 nan 8.230 nan 0.000 0.449 700 D N -0.991 119.373 120.400 -0.059 0.000 2.229 700 D HA 0.125 4.765 4.640 -0.000 0.000 0.249 700 D C -0.327 175.967 176.300 -0.009 0.000 1.027 700 D CA -0.367 53.613 54.000 -0.034 0.000 0.923 700 D CB 1.441 42.229 40.800 -0.021 0.000 1.174 700 D HN -0.259 nan 8.370 nan 0.000 0.443 701 T N 1.533 116.083 114.554 -0.006 0.000 2.856 701 T HA 0.272 4.622 4.350 -0.000 0.000 0.292 701 T C 0.430 175.136 174.700 0.011 0.000 0.980 701 T CA -0.365 61.738 62.100 0.005 0.000 1.091 701 T CB 0.643 69.513 68.868 0.003 0.000 0.936 701 T HN 0.243 nan 8.240 nan 0.000 0.503 702 M N 2.887 122.498 119.600 0.017 0.000 2.264 702 M HA 0.434 4.914 4.480 -0.000 0.000 0.352 702 M C -0.039 176.272 176.300 0.019 0.000 1.173 702 M CA -0.559 54.754 55.300 0.021 0.000 1.075 702 M CB 1.374 33.990 32.600 0.026 0.000 1.621 702 M HN 0.477 nan 8.290 nan 0.000 0.457 703 E N 1.412 121.624 120.200 0.020 0.000 2.222 703 E HA 0.283 4.633 4.350 -0.000 0.000 0.267 703 E C -1.274 175.341 176.600 0.024 0.000 0.884 703 E CA -0.149 56.262 56.400 0.019 0.000 0.764 703 E CB 1.305 31.014 29.700 0.015 0.000 1.169 703 E HN 0.518 nan 8.360 nan 0.000 0.413 704 Q N 2.404 122.219 119.800 0.025 0.000 2.453 704 Q HA -0.193 4.147 4.340 -0.000 0.000 0.330 704 Q C -0.624 175.401 176.000 0.042 0.000 1.417 704 Q CA 0.430 56.253 55.803 0.033 0.000 0.902 704 Q CB -0.790 27.966 28.738 0.029 0.000 1.154 704 Q HN 0.458 nan 8.270 nan 0.000 0.395 705 M N -0.174 119.447 119.600 0.034 0.000 2.342 705 M HA 0.388 4.868 4.480 -0.000 0.000 0.332 705 M C 0.568 176.884 176.300 0.027 0.000 1.166 705 M CA 0.051 55.367 55.300 0.028 0.000 1.086 705 M CB 1.211 33.819 32.600 0.012 0.000 1.541 705 M HN 0.012 nan 8.290 nan 0.000 0.462 706 T N 2.754 117.315 114.554 0.012 0.000 2.792 706 T HA 0.569 4.919 4.350 -0.000 0.000 0.280 706 T C -0.864 173.782 174.700 -0.091 0.000 0.990 706 T CA -0.550 61.522 62.100 -0.046 0.000 0.960 706 T CB 1.298 70.171 68.868 0.007 0.000 0.939 706 T HN 0.503 nan 8.240 nan 0.000 0.439 707 L N 3.787 124.924 121.223 -0.144 0.000 2.275 707 L HA 0.608 4.947 4.340 -0.000 0.000 0.288 707 L C -0.129 176.618 176.870 -0.205 0.000 1.046 707 L CA -0.106 54.644 54.840 -0.149 0.000 0.805 707 L CB 0.887 42.862 42.059 -0.140 0.000 1.193 707 L HN 0.631 nan 8.230 nan 0.000 0.426 708 E N 5.534 125.641 120.200 -0.156 0.000 2.210 708 E HA 0.590 4.940 4.350 -0.000 0.000 0.266 708 E C -1.557 174.972 176.600 -0.118 0.000 0.883 708 E CA -0.638 55.672 56.400 -0.149 0.000 0.761 708 E CB 1.351 30.991 29.700 -0.100 0.000 1.156 708 E HN 0.735 nan 8.360 nan 0.000 0.412 709 M N 3.860 123.382 119.600 -0.131 0.000 2.457 709 M HA 0.443 4.923 4.480 -0.000 0.000 0.300 709 M C -1.072 175.219 176.300 -0.016 0.000 1.141 709 M CA -0.778 54.477 55.300 -0.075 0.000 0.901 709 M CB 2.449 34.968 32.600 -0.135 0.000 1.687 709 M HN 0.376 nan 8.290 nan 0.000 0.449 710 K N 0.800 121.227 120.400 0.045 0.000 2.546 710 K HA 0.682 5.002 4.320 -0.000 0.000 0.264 710 K C -1.805 174.842 176.600 0.078 0.000 0.937 710 K CA -0.930 55.396 56.287 0.065 0.000 0.833 710 K CB 1.921 34.435 32.500 0.024 0.000 1.378 710 K HN 0.462 nan 8.250 nan 0.000 0.432 711 V N 2.308 122.277 119.914 0.091 0.000 2.432 711 V HA 0.260 4.380 4.120 -0.000 0.000 0.271 711 V C -0.449 175.546 176.094 -0.166 0.000 1.046 711 V CA -0.567 61.739 62.300 0.010 0.000 0.945 711 V CB 1.143 32.994 31.823 0.047 0.000 0.992 711 V HN 0.528 nan 8.190 nan 0.000 0.471 712 V N 4.884 124.532 119.914 -0.443 0.000 2.487 712 V HA 0.356 4.476 4.120 -0.000 0.000 0.298 712 V C -0.218 175.506 176.094 -0.617 0.000 1.028 712 V CA -0.943 61.017 62.300 -0.566 0.000 0.860 712 V CB 1.991 33.381 31.823 -0.723 0.000 0.991 712 V HN 1.056 nan 8.190 nan 0.000 0.427 713 D N 3.209 123.439 120.400 -0.284 0.000 2.371 713 D HA 0.107 4.747 4.640 -0.000 0.000 0.242 713 D C 0.669 177.044 176.300 0.125 0.000 1.218 713 D CA -0.443 53.457 54.000 -0.166 0.000 0.945 713 D CB 0.452 41.158 40.800 -0.157 0.000 1.137 713 D HN 0.252 nan 8.370 nan 0.000 0.464 714 F N -0.699 119.278 119.950 0.044 0.000 2.664 714 F HA 0.006 4.533 4.527 -0.000 0.000 0.297 714 F C 1.330 177.190 175.800 0.099 0.000 1.164 714 F CA 0.262 58.355 58.000 0.155 0.000 1.472 714 F CB -0.686 38.408 39.000 0.157 0.000 1.108 714 F HN 0.398 nan 8.300 nan 0.000 0.596 715 D N -1.150 119.382 120.400 0.220 0.000 2.441 715 D HA 0.188 4.828 4.640 -0.000 0.000 0.210 715 D C 1.864 178.221 176.300 0.096 0.000 1.102 715 D CA 0.869 54.945 54.000 0.127 0.000 0.840 715 D CB 0.877 41.727 40.800 0.083 0.000 0.990 715 D HN 0.315 nan 8.370 nan 0.000 0.505 716 G N 1.791 110.648 108.800 0.094 0.000 2.144 716 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.218 716 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.218 716 G C 0.297 175.213 174.900 0.025 0.000 0.988 716 G CA 0.277 45.421 45.100 0.073 0.000 0.659 716 G HN 0.231 nan 8.290 nan 0.000 0.522 717 K N 0.846 121.244 120.400 -0.003 0.000 2.183 717 K HA 0.687 5.007 4.320 -0.000 0.000 0.274 717 K C 0.570 177.138 176.600 -0.053 0.000 1.009 717 K CA 0.335 56.612 56.287 -0.017 0.000 0.888 717 K CB 0.886 33.379 32.500 -0.011 0.000 1.078 717 K HN 0.444 nan 8.250 nan 0.000 0.459 718 T N 5.164 119.696 114.554 -0.037 0.000 2.851 718 T HA 0.296 4.646 4.350 -0.000 0.000 0.298 718 T C 0.136 174.814 174.700 -0.038 0.000 0.977 718 T CA -0.246 61.828 62.100 -0.044 0.000 1.126 718 T CB -0.018 68.840 68.868 -0.017 0.000 0.916 718 T HN 0.502 nan 8.240 nan 0.000 0.529 719 L N 3.549 124.745 121.223 -0.044 0.000 2.272 719 L HA 0.605 4.945 4.340 -0.000 0.000 0.289 719 L C 1.171 178.055 176.870 0.024 0.000 1.032 719 L CA -0.546 54.278 54.840 -0.027 0.000 0.810 719 L CB 0.499 42.519 42.059 -0.065 0.000 1.205 719 L HN 0.982 nan 8.230 nan 0.000 0.422 720 G N 1.689 110.506 108.800 0.029 0.000 2.693 720 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.226 720 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.226 720 G C -0.349 174.571 174.900 0.035 0.000 1.354 720 G CA -0.089 45.041 45.100 0.051 0.000 0.873 720 G HN 0.841 nan 8.290 nan 0.000 0.562 721 K N 0.251 120.669 120.400 0.031 0.000 2.090 721 K HA 0.736 5.056 4.320 -0.000 0.000 0.249 721 K C 0.841 177.447 176.600 0.010 0.000 0.995 721 K CA 0.285 56.580 56.287 0.013 0.000 0.914 721 K CB 0.348 nan 32.500 nan 0.000 1.057 721 K HN 0.898 nan 8.250 nan 0.000 0.462 722 K N 0.464 120.863 120.400 -0.002 0.000 2.469 722 K HA 0.179 4.499 4.320 -0.000 0.000 0.274 722 K C -0.306 176.261 176.600 -0.056 0.000 0.983 722 K CA 0.115 56.389 56.287 -0.022 0.000 0.974 722 K CB 0.015 32.501 32.500 -0.023 0.000 0.913 722 K HN 0.486 nan 8.250 nan 0.000 0.493 723 I N 1.738 122.245 120.570 -0.105 0.000 2.437 723 I HA 0.177 4.347 4.170 -0.000 0.000 0.298 723 I C -0.115 175.876 176.117 -0.209 0.000 0.984 723 I CA -0.292 60.903 61.300 -0.175 0.000 1.214 723 I CB 1.485 39.309 38.000 -0.294 0.000 1.365 723 I HN 0.392 nan 8.210 nan 0.000 0.469 724 Q N 4.111 123.784 119.800 -0.212 0.000 2.285 724 Q HA 0.636 4.976 4.340 -0.000 0.000 0.269 724 Q C -1.626 174.169 176.000 -0.342 0.000 1.030 724 Q CA -0.749 54.864 55.803 -0.316 0.000 0.788 724 Q CB 3.121 31.670 28.738 -0.314 0.000 1.266 724 Q HN 0.451 nan 8.270 nan 0.000 0.438 725 V N 3.382 123.065 119.914 -0.385 0.000 2.326 725 V HA 0.338 4.458 4.120 -0.000 0.000 0.281 725 V C -0.276 175.647 176.094 -0.287 0.000 1.015 725 V CA -0.818 61.337 62.300 -0.241 0.000 0.823 725 V CB 0.771 32.518 31.823 -0.126 0.000 1.009 725 V HN 0.730 nan 8.190 nan 0.000 0.436 726 H N 2.098 121.155 119.070 -0.022 0.000 2.523 726 H HA 0.443 4.999 4.556 -0.000 0.000 0.345 726 H C 0.897 176.218 175.328 -0.011 0.000 1.261 726 H CA 0.029 56.067 56.048 -0.016 0.000 1.343 726 H CB 1.629 31.383 29.762 -0.014 0.000 1.650 726 H HN 0.706 nan 8.280 nan 0.000 0.591 727 S N -0.102 115.684 115.700 0.143 0.000 3.635 727 S HA -0.157 4.313 4.470 -0.000 0.000 0.328 727 S C 0.168 174.792 174.600 0.040 0.000 1.135 727 S CA 0.060 58.303 58.200 0.071 0.000 0.942 727 S CB -1.573 61.661 63.200 0.058 0.000 0.930 727 S HN 0.359 nan 8.310 nan 0.000 0.512 728 L N 1.357 122.599 121.223 0.031 0.000 2.305 728 L HA 0.427 4.767 4.340 -0.000 0.000 0.281 728 L C 0.602 177.480 176.870 0.013 0.000 1.085 728 L CA 0.021 54.868 54.840 0.012 0.000 0.813 728 L CB 1.100 43.157 42.059 -0.005 0.000 1.157 728 L HN 0.301 nan 8.230 nan 0.000 0.436 729 E N 2.771 122.976 120.200 0.010 0.000 2.151 729 E HA 0.366 4.716 4.350 -0.000 0.000 0.275 729 E C -1.390 175.216 176.600 0.010 0.000 0.936 729 E CA -0.696 55.711 56.400 0.011 0.000 0.777 729 E CB 1.842 31.548 29.700 0.010 0.000 1.108 729 E HN 0.316 nan 8.360 nan 0.000 0.401 730 V N 6.580 126.503 119.914 0.014 0.000 2.259 730 V HA 0.283 4.403 4.120 -0.000 0.000 0.267 730 V C -2.284 173.822 176.094 0.020 0.000 1.051 730 V CA -1.823 60.488 62.300 0.017 0.000 0.830 730 V CB 0.380 32.215 31.823 0.019 0.000 1.080 730 V HN 0.666 nan 8.190 nan 0.000 0.467 731 P HA 0.216 nan 4.420 nan 0.000 0.271 731 P C 0.137 177.453 177.300 0.026 0.000 1.218 731 P CA 0.064 63.176 63.100 0.020 0.000 0.780 731 P CB 0.664 32.376 31.700 0.020 0.000 0.901 732 A N 3.258 126.090 122.820 0.020 0.000 2.567 732 A HA 0.032 4.352 4.320 -0.000 0.000 0.240 732 A C 0.715 178.329 177.584 0.051 0.000 1.053 732 A CA 0.194 52.246 52.037 0.026 0.000 0.755 732 A CB -0.983 18.012 19.000 -0.009 0.000 0.978 732 A HN 0.730 nan 8.150 nan 0.000 0.507 733 N N -0.117 118.636 118.700 0.089 0.000 2.738 733 N HA -0.149 4.591 4.740 -0.000 0.000 0.249 733 N C 0.001 175.560 175.510 0.081 0.000 1.047 733 N CA 1.639 54.763 53.050 0.124 0.000 0.707 733 N CB -1.399 37.190 38.487 0.170 0.000 0.937 733 N HN 1.322 nan 8.380 nan 0.000 0.545 734 T N -4.193 110.393 114.554 0.053 0.000 2.864 734 T HA 0.627 4.977 4.350 -0.000 0.000 0.299 734 T C -0.455 174.263 174.700 0.029 0.000 1.166 734 T CA -0.674 61.452 62.100 0.043 0.000 1.007 734 T CB 2.557 71.452 68.868 0.045 0.000 1.219 734 T HN 0.061 nan 8.240 nan 0.000 0.506 735 S N 0.550 116.276 115.700 0.044 0.000 2.498 735 S HA 0.656 5.126 4.470 -0.000 0.000 0.317 735 S C -1.070 173.623 174.600 0.155 0.000 1.090 735 S CA -0.703 57.547 58.200 0.084 0.000 1.089 735 S CB 0.126 63.348 63.200 0.037 0.000 0.997 735 S HN 0.743 nan 8.310 nan 0.000 0.470 736 K N 3.043 123.536 120.400 0.155 0.000 2.443 736 K HA 0.412 4.732 4.320 -0.000 0.000 0.252 736 K C -1.075 175.447 176.600 -0.131 0.000 0.933 736 K CA -0.646 55.676 56.287 0.058 0.000 0.792 736 K CB 1.715 34.220 32.500 0.010 0.000 1.185 736 K HN 0.712 nan 8.250 nan 0.000 0.425 737 C N 3.865 122.881 119.300 -0.473 0.000 2.648 737 C HA 0.188 4.648 4.460 -0.000 0.000 0.415 737 C C 1.502 176.293 174.990 -0.331 0.000 1.366 737 C CA -0.125 58.398 59.018 -0.824 0.000 1.756 737 C CB -0.974 26.249 27.740 -0.862 0.000 2.549 737 C HN 0.713 nan 8.230 nan 0.000 0.597 738 V N 3.465 123.240 119.914 -0.232 0.000 3.451 738 V HA 0.408 4.528 4.120 -0.000 0.000 0.288 738 V C -0.306 175.797 176.094 0.015 0.000 1.502 738 V CA -0.038 62.211 62.300 -0.085 0.000 1.026 738 V CB -0.705 31.089 31.823 -0.047 0.000 0.840 738 V HN 0.814 nan 8.190 nan 0.000 0.437 739 Y N 0.716 120.914 120.300 -0.171 0.000 2.436 739 Y HA 0.731 5.281 4.550 -0.000 0.000 0.327 739 Y C -0.838 174.993 175.900 -0.116 0.000 1.138 739 Y CA -1.067 56.955 58.100 -0.130 0.000 1.042 739 Y CB 1.641 40.033 38.460 -0.113 0.000 1.302 739 Y HN 0.223 nan 8.280 nan 0.000 0.439 740 R N 4.239 124.320 120.500 -0.698 0.000 2.533 740 R HA 0.916 5.256 4.340 -0.000 0.000 0.288 740 R C -2.003 173.901 176.300 -0.660 0.000 1.039 740 R CA -0.680 55.120 56.100 -0.499 0.000 0.909 740 R CB 1.610 31.758 30.300 -0.254 0.000 1.195 740 R HN 0.798 nan 8.270 nan 0.000 0.438 741 A N 4.473 127.059 122.820 -0.389 0.000 2.437 741 A HA 0.339 4.659 4.320 -0.000 0.000 0.293 741 A C -1.270 176.355 177.584 0.068 0.000 1.038 741 A CA -1.004 50.891 52.037 -0.238 0.000 0.708 741 A CB 1.184 19.970 19.000 -0.356 0.000 1.251 741 A HN 0.752 nan 8.150 nan 0.000 0.409 742 K N 2.845 123.291 120.400 0.076 0.000 2.270 742 K HA 0.406 4.726 4.320 -0.000 0.000 0.276 742 K C -0.109 176.667 176.600 0.292 0.000 1.023 742 K CA -0.525 55.853 56.287 0.153 0.000 0.955 742 K CB 0.754 33.303 32.500 0.081 0.000 0.975 742 K HN 0.583 nan 8.250 nan 0.000 0.471 743 L N 0.570 121.940 121.223 0.246 0.000 2.275 743 L HA -0.081 4.259 4.340 -0.000 0.000 0.215 743 L C 0.632 177.550 176.870 0.081 0.000 1.119 743 L CA 0.583 55.515 54.840 0.152 0.000 0.790 743 L CB -0.493 41.550 42.059 -0.027 0.000 0.919 743 L HN 0.806 nan 8.230 nan 0.000 0.443 744 D N 0.267 120.716 120.400 0.082 0.000 2.358 744 D HA 0.314 4.954 4.640 -0.000 0.000 0.258 744 D C 1.091 177.439 176.300 0.081 0.000 1.223 744 D CA 1.084 55.114 54.000 0.050 0.000 0.886 744 D CB 0.741 41.562 40.800 0.035 0.000 1.120 744 D HN 0.266 nan 8.370 nan 0.000 0.482 745 G N 3.291 112.130 108.800 0.064 0.000 2.175 745 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.244 745 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.244 745 G C 0.553 175.551 174.900 0.163 0.000 0.982 745 G CA 0.426 45.575 45.100 0.080 0.000 0.641 745 G HN 0.561 nan 8.290 nan 0.000 0.527 746 W N 0.510 121.780 121.300 -0.051 0.000 3.227 746 W HA 0.662 5.322 4.660 -0.000 0.000 0.246 746 W C 0.297 176.753 176.519 -0.104 0.000 1.007 746 W CA 0.582 57.892 57.345 -0.058 0.000 1.925 746 W CB 0.078 29.517 29.460 -0.035 0.000 1.062 746 W HN 0.133 nan 8.180 nan 0.000 0.649 747 L N 2.092 123.089 121.223 -0.376 0.000 2.386 747 L HA 0.394 4.734 4.340 -0.000 0.000 0.271 747 L C 0.565 177.239 176.870 -0.326 0.000 0.993 747 L CA -0.845 53.667 54.840 -0.547 0.000 0.819 747 L CB 1.948 43.383 42.059 -1.041 0.000 1.294 747 L HN -0.107 nan 8.230 nan 0.000 0.414 748 T N -1.388 113.014 114.554 -0.253 0.000 2.899 748 T HA 0.238 4.588 4.350 -0.000 0.000 0.295 748 T C -1.992 172.596 174.700 -0.186 0.000 1.033 748 T CA -1.611 60.386 62.100 -0.171 0.000 1.084 748 T CB 1.081 69.875 68.868 -0.125 0.000 0.979 748 T HN 0.331 nan 8.240 nan 0.000 0.532 749 P HA -0.093 nan 4.420 nan 0.000 0.218 749 P C 1.057 178.294 177.300 -0.104 0.000 1.146 749 P CA 1.008 64.046 63.100 -0.104 0.000 0.813 749 P CB 0.077 31.738 31.700 -0.066 0.000 0.778 750 E N -0.851 119.282 120.200 -0.111 0.000 2.072 750 E HA -0.130 4.220 4.350 -0.000 0.000 0.190 750 E C 1.770 178.276 176.600 -0.156 0.000 0.982 750 E CA 0.966 57.300 56.400 -0.110 0.000 0.803 750 E CB -0.944 28.701 29.700 -0.093 0.000 0.755 750 E HN 0.226 nan 8.360 nan 0.000 0.453 751 D N -0.075 120.205 120.400 -0.200 0.000 2.149 751 D HA -0.144 4.496 4.640 -0.000 0.000 0.198 751 D C 1.688 177.814 176.300 -0.290 0.000 0.990 751 D CA 0.885 54.723 54.000 -0.270 0.000 0.839 751 D CB -0.321 40.276 40.800 -0.337 0.000 0.948 751 D HN 0.220 nan 8.370 nan 0.000 0.460 752 C N 0.486 119.623 119.300 -0.270 0.000 2.432 752 C HA -0.020 4.440 4.460 -0.000 0.000 0.282 752 C C 2.313 177.319 174.990 0.026 0.000 1.388 752 C CA 0.259 59.185 59.018 -0.153 0.000 1.777 752 C CB -0.774 26.885 27.740 -0.135 0.000 1.882 752 C HN 0.321 nan 8.230 nan 0.000 0.520 753 R N -0.048 120.421 120.500 -0.051 0.000 2.300 753 R HA 0.129 4.469 4.340 -0.000 0.000 0.199 753 R C 1.659 177.856 176.300 -0.172 0.000 0.920 753 R CA 0.311 56.404 56.100 -0.012 0.000 1.046 753 R CB 0.028 30.315 30.300 -0.022 0.000 0.984 753 R HN 0.527 nan 8.270 nan 0.000 0.493 754 R N 0.170 120.423 120.500 -0.413 0.000 2.509 754 R HA 0.161 4.501 4.340 -0.000 0.000 0.297 754 R C -0.096 175.483 176.300 -1.201 0.000 0.951 754 R CA 0.159 55.714 56.100 -0.909 0.000 1.103 754 R CB 1.266 31.282 30.300 -0.474 0.000 1.283 754 R HN 0.069 nan 8.270 nan 0.000 0.534 755 S N -0.038 115.326 115.700 -0.559 0.000 2.638 755 S HA 0.704 5.174 4.470 -0.000 0.000 0.274 755 S C -0.791 174.000 174.600 0.317 0.000 1.157 755 S CA -0.973 57.139 58.200 -0.146 0.000 0.826 755 S CB 1.684 64.754 63.200 -0.217 0.000 1.139 755 S HN 0.161 nan 8.310 nan 0.000 0.474 756 F N -0.790 119.248 119.950 0.147 0.000 2.629 756 F HA 0.879 5.406 4.527 -0.000 0.000 0.316 756 F C -1.500 174.260 175.800 -0.068 0.000 1.081 756 F CA -1.498 56.358 58.000 -0.241 0.000 0.954 756 F CB 0.898 39.381 39.000 -0.863 0.000 1.337 756 F HN 0.601 nan 8.300 nan 0.000 0.474 757 L N 2.996 124.258 121.223 0.065 0.000 2.272 757 L HA 0.549 4.889 4.340 -0.000 0.000 0.289 757 L C -0.542 176.450 176.870 0.203 0.000 1.032 757 L CA -0.518 54.419 54.840 0.162 0.000 0.810 757 L CB 0.869 43.042 42.059 0.190 0.000 1.205 757 L HN 0.722 nan 8.230 nan 0.000 0.422 758 K N 4.483 125.003 120.400 0.200 0.000 2.201 758 K HA 0.667 4.987 4.320 -0.000 0.000 0.278 758 K C -1.634 175.012 176.600 0.077 0.000 1.027 758 K CA -0.061 56.327 56.287 0.168 0.000 0.909 758 K CB 0.598 33.213 32.500 0.191 0.000 1.062 758 K HN 0.495 nan 8.250 nan 0.000 0.465 759 L N 6.217 127.465 121.223 0.043 0.000 2.381 759 L HA 0.600 4.940 4.340 -0.000 0.000 0.274 759 L C -0.416 176.446 176.870 -0.012 0.000 0.988 759 L CA -0.655 54.185 54.840 0.000 0.000 0.824 759 L CB 1.358 43.414 42.059 -0.005 0.000 1.263 759 L HN 0.650 nan 8.230 nan 0.000 0.410 760 I N 0.422 120.973 120.570 -0.032 0.000 2.828 760 I HA 0.792 4.962 4.170 -0.000 0.000 0.302 760 I C -1.482 174.604 176.117 -0.052 0.000 1.101 760 I CA -1.144 60.133 61.300 -0.038 0.000 1.031 760 I CB 2.424 40.403 38.000 -0.036 0.000 1.231 760 I HN 0.471 nan 8.210 nan 0.000 0.427 761 L N 4.534 125.726 121.223 -0.051 0.000 2.333 761 L HA 0.621 4.961 4.340 -0.000 0.000 0.280 761 L C -1.024 175.814 176.870 -0.054 0.000 1.004 761 L CA -0.018 54.792 54.840 -0.050 0.000 0.820 761 L CB 1.373 43.411 42.059 -0.036 0.000 1.247 761 L HN 0.657 nan 8.230 nan 0.000 0.416 762 K N 3.102 123.479 120.400 -0.038 0.000 2.318 762 K HA 0.437 4.757 4.320 -0.000 0.000 0.249 762 K C -1.087 175.522 176.600 0.015 0.000 0.942 762 K CA -0.932 55.342 56.287 -0.022 0.000 0.808 762 K CB 1.758 34.255 32.500 -0.006 0.000 1.189 762 K HN 0.744 nan 8.250 nan 0.000 0.428 763 D N 1.273 121.700 120.400 0.045 0.000 2.414 763 D HA 0.049 4.689 4.640 -0.000 0.000 0.251 763 D C 1.182 177.520 176.300 0.063 0.000 1.252 763 D CA -0.285 53.754 54.000 0.064 0.000 0.999 763 D CB 0.357 41.215 40.800 0.096 0.000 1.093 763 D HN 0.452 nan 8.370 nan 0.000 0.515 764 K N -0.039 120.394 120.400 0.055 0.000 2.127 764 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 764 K C 2.039 178.666 176.600 0.045 0.000 1.047 764 K CA 2.368 58.682 56.287 0.046 0.000 0.927 764 K CB -1.411 31.108 32.500 0.031 0.000 0.716 764 K HN 0.628 nan 8.250 nan 0.000 0.450 765 S N -1.482 114.250 115.700 0.053 0.000 2.593 765 S HA 0.366 4.836 4.470 -0.000 0.000 0.217 765 S C 1.641 176.282 174.600 0.068 0.000 0.966 765 S CA 0.968 59.198 58.200 0.051 0.000 0.914 765 S CB -0.335 62.889 63.200 0.041 0.000 0.776 765 S HN 1.743 nan 8.310 nan 0.000 0.523 766 G N 0.767 109.613 108.800 0.077 0.000 2.143 766 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.249 766 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.249 766 G C -0.073 174.881 174.900 0.090 0.000 0.981 766 G CA 0.321 45.463 45.100 0.069 0.000 0.665 766 G HN 0.921 nan 8.290 nan 0.000 0.528 767 H N 0.877 119.956 119.070 0.014 0.000 2.803 767 H HA 0.499 5.055 4.556 -0.000 0.000 0.330 767 H C 0.619 175.954 175.328 0.011 0.000 1.057 767 H CA 0.436 56.491 56.048 0.012 0.000 1.458 767 H CB 0.673 30.442 29.762 0.011 0.000 1.470 767 H HN 0.413 nan 8.280 nan 0.000 0.560 768 Q N 4.717 124.251 119.800 -0.442 0.000 2.296 768 Q HA 0.177 4.517 4.340 -0.000 0.000 0.263 768 Q C 0.485 176.180 176.000 -0.509 0.000 1.026 768 Q CA -0.172 55.418 55.803 -0.354 0.000 0.912 768 Q CB 0.696 29.313 28.738 -0.201 0.000 1.198 768 Q HN 0.760 nan 8.270 nan 0.000 0.407 769 V N 1.032 120.789 119.914 -0.262 0.000 3.307 769 V HA 0.590 4.710 4.120 -0.000 0.000 0.253 769 V C 0.270 176.319 176.094 -0.075 0.000 1.149 769 V CA 0.663 62.873 62.300 -0.151 0.000 1.112 769 V CB 0.185 31.982 31.823 -0.043 0.000 0.777 769 V HN 0.639 nan 8.190 nan 0.000 0.464 770 A N 0.732 123.511 122.820 -0.069 0.000 2.589 770 A HA 0.746 5.066 4.320 -0.000 0.000 0.296 770 A C -0.813 176.747 177.584 -0.039 0.000 1.062 770 A CA -0.232 51.782 52.037 -0.038 0.000 0.686 770 A CB 1.497 20.487 19.000 -0.017 0.000 1.282 770 A HN 0.625 nan 8.150 nan 0.000 0.404 771 E N 0.433 120.616 120.200 -0.027 0.000 2.410 771 E HA 0.880 5.230 4.350 -0.000 0.000 0.269 771 E C -1.084 175.510 176.600 -0.009 0.000 0.937 771 E CA -0.814 55.573 56.400 -0.021 0.000 0.793 771 E CB 2.159 31.845 29.700 -0.023 0.000 1.314 771 E HN 0.455 nan 8.360 nan 0.000 0.447 772 S N -0.096 115.603 115.700 -0.002 0.000 2.565 772 S HA 0.453 4.923 4.470 -0.000 0.000 0.269 772 S C -1.480 173.125 174.600 0.008 0.000 1.153 772 S CA -0.697 57.507 58.200 0.007 0.000 0.835 772 S CB 1.932 65.142 63.200 0.016 0.000 1.122 772 S HN 0.419 nan 8.310 nan 0.000 0.462 773 V N 2.399 122.313 119.914 0.000 0.000 2.540 773 V HA 0.522 4.642 4.120 -0.000 0.000 0.302 773 V C -0.975 175.111 176.094 -0.013 0.000 1.035 773 V CA -0.599 61.673 62.300 -0.048 0.000 0.873 773 V CB 1.647 33.374 31.823 -0.160 0.000 0.992 773 V HN 0.952 nan 8.190 nan 0.000 0.428 774 H N 3.945 122.887 119.070 -0.213 0.000 2.547 774 H HA 0.665 5.221 4.556 -0.000 0.000 0.342 774 H C -1.535 173.487 175.328 -0.510 0.000 1.048 774 H CA -0.577 55.323 56.048 -0.247 0.000 1.204 774 H CB 1.160 30.780 29.762 -0.237 0.000 1.493 774 H HN 0.444 nan 8.280 nan 0.000 0.511 775 F N 4.632 124.126 119.950 -0.760 0.000 2.422 775 F HA 0.227 4.754 4.527 -0.000 0.000 0.333 775 F C 0.246 175.537 175.800 -0.848 0.000 1.095 775 F CA -0.614 57.038 58.000 -0.580 0.000 1.038 775 F CB 0.956 39.822 39.000 -0.223 0.000 1.156 775 F HN 0.588 nan 8.300 nan 0.000 0.483 776 F N 0.624 120.520 119.950 -0.090 0.000 2.743 776 F HA 0.219 4.746 4.527 0.000 0.000 0.297 776 F C 0.925 176.711 175.800 -0.024 0.000 1.131 776 F CA 0.246 58.202 58.000 -0.074 0.000 1.426 776 F CB -0.074 38.894 39.000 -0.054 0.000 1.116 776 F HN 0.134 nan 8.300 nan 0.000 0.583 777 R N 0.333 120.918 120.500 0.142 0.000 2.795 777 R HA 0.348 4.688 4.340 -0.000 0.000 0.275 777 R C -0.307 175.979 176.300 -0.024 0.000 0.981 777 R CA -1.100 55.040 56.100 0.066 0.000 0.917 777 R CB 1.343 31.694 30.300 0.085 0.000 1.202 777 R HN 0.002 nan 8.270 nan 0.000 0.469 778 K N 0.309 120.656 120.400 -0.088 0.000 2.440 778 K HA 0.003 4.323 4.320 -0.000 0.000 0.270 778 K C 0.935 177.391 176.600 -0.241 0.000 0.980 778 K CA 0.337 56.506 56.287 -0.197 0.000 0.953 778 K CB 0.458 32.836 32.500 -0.203 0.000 0.925 778 K HN 0.447 nan 8.250 nan 0.000 0.497 779 T N 2.262 116.566 114.554 -0.416 0.000 2.720 779 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 779 T C 1.561 176.081 174.700 -0.300 0.000 1.037 779 T CA 1.832 63.683 62.100 -0.415 0.000 1.144 779 T CB -0.135 68.371 68.868 -0.604 0.000 0.864 779 T HN 0.635 nan 8.240 nan 0.000 0.444 780 K N 1.061 121.250 120.400 -0.352 0.000 2.360 780 K HA -0.123 4.197 4.320 -0.000 0.000 0.201 780 K C 1.086 177.583 176.600 -0.171 0.000 1.046 780 K CA 1.614 57.746 56.287 -0.258 0.000 0.940 780 K CB -0.029 32.336 32.500 -0.225 0.000 0.748 780 K HN 0.188 nan 8.250 nan 0.000 0.465 781 D N 0.611 120.937 120.400 -0.123 0.000 2.379 781 D HA 0.149 4.789 4.640 -0.000 0.000 0.208 781 D C 0.316 176.625 176.300 0.016 0.000 1.065 781 D CA 0.082 54.049 54.000 -0.054 0.000 0.848 781 D CB 0.222 40.992 40.800 -0.050 0.000 0.949 781 D HN 0.158 nan 8.370 nan 0.000 0.509 782 L N 0.975 122.228 121.223 0.050 0.000 2.417 782 L HA 0.198 4.538 4.340 -0.000 0.000 0.268 782 L C 0.661 177.669 176.870 0.229 0.000 1.158 782 L CA -0.097 54.864 54.840 0.202 0.000 0.819 782 L CB 0.652 42.868 42.059 0.262 0.000 1.112 782 L HN -0.329 nan 8.230 nan 0.000 0.458 783 Q N 3.377 123.349 119.800 0.287 0.000 2.673 783 Q HA 0.351 4.691 4.340 -0.000 0.000 0.224 783 Q C -0.936 175.323 176.000 0.431 0.000 1.226 783 Q CA -0.183 55.768 55.803 0.247 0.000 1.019 783 Q CB 0.499 29.301 28.738 0.106 0.000 1.312 783 Q HN 0.463 nan 8.270 nan 0.000 0.566 784 L N 4.217 125.665 121.223 0.375 0.000 2.367 784 L HA 0.310 4.650 4.340 -0.000 0.000 0.275 784 L C -1.783 175.223 176.870 0.226 0.000 1.129 784 L CA -1.769 53.246 54.840 0.291 0.000 0.839 784 L CB 0.107 42.268 42.059 0.169 0.000 1.133 784 L HN 0.290 nan 8.230 nan 0.000 0.453 785 P HA 0.206 nan 4.420 nan 0.000 0.276 785 P C -2.570 174.775 177.300 0.075 0.000 1.252 785 P CA -1.840 61.344 63.100 0.139 0.000 0.802 785 P CB -0.051 31.739 31.700 0.151 0.000 1.035 786 P HA 0.052 nan 4.420 nan 0.000 0.231 786 P C 0.163 177.485 177.300 0.036 0.000 1.811 786 P CA 0.121 63.240 63.100 0.032 0.000 1.051 786 P CB -0.679 31.028 31.700 0.012 0.000 1.951 787 T N 0.674 115.247 114.554 0.032 0.000 2.918 787 T HA 0.119 4.469 4.350 -0.000 0.000 0.302 787 T C 0.080 174.778 174.700 -0.004 0.000 1.045 787 T CA 0.110 62.197 62.100 -0.022 0.000 1.114 787 T CB 0.082 68.873 68.868 -0.130 0.000 0.965 787 T HN 0.066 nan 8.240 nan 0.000 0.540 788 S N 3.330 119.024 115.700 -0.009 0.000 2.410 788 S HA 0.467 4.937 4.470 -0.000 0.000 0.304 788 S C -0.550 174.049 174.600 -0.001 0.000 1.095 788 S CA -0.772 57.439 58.200 0.017 0.000 1.089 788 S CB -0.001 63.220 63.200 0.036 0.000 0.968 788 S HN 0.601 nan 8.310 nan 0.000 0.480 789 V N 5.988 125.909 119.914 0.011 0.000 2.333 789 V HA 0.412 4.532 4.120 -0.000 0.000 0.274 789 V C 0.451 176.607 176.094 0.103 0.000 1.028 789 V CA -0.611 61.698 62.300 0.015 0.000 0.851 789 V CB 0.905 32.708 31.823 -0.033 0.000 1.000 789 V HN 0.913 nan 8.190 nan 0.000 0.456 790 S N 5.343 121.125 115.700 0.136 0.000 2.690 790 S HA 0.878 5.348 4.470 -0.000 0.000 0.291 790 S C -0.850 173.889 174.600 0.232 0.000 1.138 790 S CA -0.615 57.671 58.200 0.143 0.000 1.013 790 S CB 1.738 65.002 63.200 0.107 0.000 1.053 790 S HN 0.882 nan 8.310 nan 0.000 0.539 791 Y N -2.584 117.742 120.300 0.042 0.000 2.513 791 Y HA 0.746 5.296 4.550 -0.000 0.000 0.340 791 Y C -0.714 175.197 175.900 0.018 0.000 1.055 791 Y CA -1.161 56.961 58.100 0.036 0.000 1.020 791 Y CB 0.466 38.938 38.460 0.019 0.000 1.301 791 Y HN 0.879 nan 8.280 nan 0.000 0.453 792 Q N 3.679 123.538 119.800 0.099 0.000 2.274 792 Q HA 0.785 5.125 4.340 -0.000 0.000 0.260 792 Q C -1.296 174.784 176.000 0.133 0.000 0.974 792 Q CA -0.602 55.214 55.803 0.021 0.000 0.876 792 Q CB 2.336 31.076 28.738 0.003 0.000 1.297 792 Q HN 1.016 nan 8.270 nan 0.000 0.446 793 M N 1.981 121.634 119.600 0.089 0.000 2.067 793 M HA 0.433 4.913 4.480 -0.000 0.000 0.286 793 M C -1.033 175.296 176.300 0.049 0.000 0.922 793 M CA -0.428 54.946 55.300 0.123 0.000 0.937 793 M CB 1.456 34.184 32.600 0.215 0.000 1.550 793 M HN 0.569 nan 8.290 nan 0.000 0.433 794 K N 4.355 124.774 120.400 0.032 0.000 2.257 794 K HA 0.245 4.565 4.320 -0.000 0.000 0.270 794 K C -0.904 175.698 176.600 0.003 0.000 1.098 794 K CA -0.206 56.087 56.287 0.011 0.000 0.943 794 K CB 0.852 33.355 32.500 0.005 0.000 1.316 794 K HN 0.846 nan 8.250 nan 0.000 0.447 795 Q N 2.687 122.487 119.800 0.001 0.000 2.267 795 Q HA 0.132 4.472 4.340 -0.000 0.000 0.255 795 Q C -0.605 175.388 176.000 -0.012 0.000 0.923 795 Q CA 0.090 55.888 55.803 -0.008 0.000 0.925 795 Q CB 1.514 30.248 28.738 -0.006 0.000 1.195 795 Q HN 0.635 nan 8.270 nan 0.000 0.417 796 T N 1.462 116.006 114.554 -0.017 0.000 2.604 796 T HA 0.268 4.618 4.350 -0.000 0.000 0.267 796 T C -1.330 173.360 174.700 -0.018 0.000 0.923 796 T CA -0.685 61.405 62.100 -0.016 0.000 1.077 796 T CB 0.962 69.821 68.868 -0.015 0.000 1.392 796 T HN 0.556 nan 8.240 nan 0.000 0.531 797 D N 0.421 120.812 120.400 -0.016 0.000 2.316 797 D HA 0.452 5.092 4.640 -0.000 0.000 0.245 797 D C 1.092 177.381 176.300 -0.019 0.000 1.171 797 D CA 1.324 55.315 54.000 -0.015 0.000 0.856 797 D CB 0.668 41.463 40.800 -0.010 0.000 1.090 797 D HN 0.956 nan 8.370 nan 0.000 0.476 798 G N 2.910 111.695 108.800 -0.024 0.000 2.155 798 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.257 798 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.257 798 G C 0.508 175.380 174.900 -0.047 0.000 0.983 798 G CA 0.807 45.888 45.100 -0.032 0.000 0.676 798 G HN 0.557 nan 8.290 nan 0.000 0.528 799 K N -1.234 119.138 120.400 -0.047 0.000 2.542 799 K HA 0.575 4.895 4.320 -0.000 0.000 0.259 799 K C -1.391 175.175 176.600 -0.055 0.000 0.932 799 K CA -0.464 55.788 56.287 -0.058 0.000 0.820 799 K CB 1.695 34.167 32.500 -0.046 0.000 1.345 799 K HN 0.471 nan 8.250 nan 0.000 0.432 800 C N 3.932 123.188 119.300 -0.073 0.000 2.383 800 C HA 0.455 4.914 4.460 -0.000 0.000 0.330 800 C C -1.148 173.811 174.990 -0.053 0.000 1.168 800 C CA -0.379 58.604 59.018 -0.059 0.000 1.374 800 C CB 0.270 27.963 27.740 -0.078 0.000 2.014 800 C HN 0.863 nan 8.230 nan 0.000 0.439 801 E N 4.419 124.606 120.200 -0.023 0.000 2.174 801 E HA 0.491 4.841 4.350 -0.000 0.000 0.282 801 E C -1.033 175.580 176.600 0.021 0.000 0.992 801 E CA -0.486 55.909 56.400 -0.009 0.000 0.803 801 E CB 1.530 31.227 29.700 -0.005 0.000 1.090 801 E HN 0.444 nan 8.360 nan 0.000 0.396 802 L N 2.354 123.595 121.223 0.030 0.000 2.334 802 L HA 0.345 4.685 4.340 -0.000 0.000 0.276 802 L C -0.143 176.775 176.870 0.080 0.000 1.014 802 L CA -0.350 54.538 54.840 0.079 0.000 0.815 802 L CB 2.079 44.169 42.059 0.051 0.000 1.268 802 L HN 0.429 nan 8.230 nan 0.000 0.428 803 T N 3.801 118.424 114.554 0.114 0.000 2.779 803 T HA 0.708 5.058 4.350 -0.000 0.000 0.280 803 T C -0.473 174.327 174.700 0.167 0.000 0.987 803 T CA -0.432 61.733 62.100 0.107 0.000 0.966 803 T CB 0.945 69.860 68.868 0.078 0.000 0.933 803 T HN 0.133 nan 8.240 nan 0.000 0.442 804 L N 3.516 124.835 121.223 0.161 0.000 2.322 804 L HA 0.710 5.050 4.340 -0.000 0.000 0.281 804 L C -0.729 176.278 176.870 0.229 0.000 1.014 804 L CA -0.657 54.301 54.840 0.196 0.000 0.815 804 L CB 1.265 43.425 42.059 0.168 0.000 1.247 804 L HN 0.615 nan 8.230 nan 0.000 0.421 805 F N 1.834 121.822 119.950 0.062 0.000 2.576 805 F HA 0.773 5.300 4.527 -0.000 0.000 0.313 805 F C -0.375 175.440 175.800 0.024 0.000 1.078 805 F CA -0.300 57.721 58.000 0.036 0.000 0.921 805 F CB 2.182 41.197 39.000 0.024 0.000 1.232 805 F HN 0.372 nan 8.300 nan 0.000 0.459 806 S N 1.849 117.029 115.700 -0.866 0.000 2.566 806 S HA 0.323 4.793 4.470 -0.000 0.000 0.273 806 S C 0.173 174.253 174.600 -0.867 0.000 1.157 806 S CA -0.017 57.829 58.200 -0.590 0.000 0.938 806 S CB 1.254 64.258 63.200 -0.326 0.000 1.087 806 S HN 0.874 nan 8.310 nan 0.000 0.474 807 S N 4.285 119.745 115.700 -0.399 0.000 2.481 807 S HA 0.212 4.682 4.470 -0.000 0.000 0.231 807 S C 0.668 175.212 174.600 -0.094 0.000 0.996 807 S CA 0.358 58.464 58.200 -0.157 0.000 0.942 807 S CB -0.470 62.776 63.200 0.076 0.000 0.768 807 S HN 0.685 nan 8.310 nan 0.000 0.520 808 M N 0.604 120.138 119.600 -0.110 0.000 2.716 808 M HA 0.491 4.971 4.480 -0.000 0.000 0.307 808 M C -0.960 175.288 176.300 -0.087 0.000 1.223 808 M CA -1.078 54.203 55.300 -0.032 0.000 0.871 808 M CB 1.753 34.357 32.600 0.006 0.000 1.739 808 M HN 0.086 nan 8.290 nan 0.000 0.475 809 L N 2.182 123.385 121.223 -0.034 0.000 2.559 809 L HA 0.369 4.708 4.340 -0.000 0.000 0.274 809 L C -0.444 176.289 176.870 -0.228 0.000 1.205 809 L CA 0.527 55.284 54.840 -0.138 0.000 0.907 809 L CB 0.161 42.074 42.059 -0.244 0.000 1.153 809 L HN 0.736 nan 8.230 nan 0.000 0.490 810 A N 5.239 127.896 122.820 -0.272 0.000 2.271 810 A HA 0.550 4.870 4.320 -0.000 0.000 0.317 810 A C -0.429 177.003 177.584 -0.253 0.000 1.245 810 A CA -0.809 50.993 52.037 -0.391 0.000 0.857 810 A CB 0.636 19.276 19.000 -0.599 0.000 1.175 810 A HN 0.679 nan 8.150 nan 0.000 0.512 811 K N 2.408 122.703 120.400 -0.175 0.000 2.258 811 K HA 0.301 4.621 4.320 -0.000 0.000 0.284 811 K C -0.518 176.055 176.600 -0.044 0.000 1.051 811 K CA 0.099 56.293 56.287 -0.154 0.000 0.923 811 K CB 0.194 32.580 32.500 -0.189 0.000 1.046 811 K HN 0.681 nan 8.250 nan 0.000 0.474 812 D N 3.490 123.839 120.400 -0.085 0.000 2.737 812 D HA -0.208 4.432 4.640 -0.000 0.000 0.238 812 D C -0.319 175.975 176.300 -0.009 0.000 1.157 812 D CA 0.573 54.557 54.000 -0.027 0.000 0.694 812 D CB -0.520 40.285 40.800 0.008 0.000 1.021 812 D HN 0.423 nan 8.370 nan 0.000 0.420 813 I N 0.861 121.270 120.570 -0.268 0.000 2.668 813 I HA -0.032 4.138 4.170 -0.000 0.000 0.285 813 I C 0.668 176.440 176.117 -0.575 0.000 1.168 813 I CA 0.459 61.496 61.300 -0.438 0.000 1.424 813 I CB -0.051 37.516 38.000 -0.722 0.000 1.377 813 I HN 0.046 nan 8.210 nan 0.000 0.560 814 F N 8.810 128.355 119.950 -0.675 0.000 2.403 814 F HA 0.484 5.011 4.527 -0.000 0.000 0.355 814 F C -0.203 175.174 175.800 -0.705 0.000 1.119 814 F CA -1.657 55.782 58.000 -0.935 0.000 1.007 814 F CB 0.651 39.219 39.000 -0.718 0.000 1.194 814 F HN 0.212 nan 8.300 nan 0.000 0.443 815 I N 5.802 125.922 120.570 -0.751 0.000 2.294 815 I HA 0.195 4.365 4.170 -0.000 0.000 0.295 815 I C 0.022 175.686 176.117 -0.756 0.000 1.098 815 I CA -0.098 60.825 61.300 -0.629 0.000 1.277 815 I CB 0.494 38.328 38.000 -0.277 0.000 1.434 815 I HN 0.568 nan 8.210 nan 0.000 0.498 816 E N 6.145 125.771 120.200 -0.957 0.000 2.191 816 E HA 0.548 4.898 4.350 -0.000 0.000 0.278 816 E C -0.732 175.668 176.600 -0.333 0.000 0.972 816 E CA -0.545 55.334 56.400 -0.868 0.000 0.804 816 E CB 1.340 30.344 29.700 -1.160 0.000 1.110 816 E HN 0.612 nan 8.360 nan 0.000 0.394 817 T N 0.840 115.325 114.554 -0.114 0.000 2.901 817 T HA 0.451 4.801 4.350 -0.000 0.000 0.293 817 T C -2.172 172.515 174.700 -0.022 0.000 1.084 817 T CA -1.601 60.465 62.100 -0.056 0.000 1.008 817 T CB 1.682 70.539 68.868 -0.019 0.000 1.170 817 T HN 0.339 nan 8.240 nan 0.000 0.509 818 P HA 0.248 nan 4.420 nan 0.000 0.255 818 P C 0.049 177.347 177.300 -0.003 0.000 1.248 818 P CA -0.101 62.992 63.100 -0.012 0.000 0.807 818 P CB 0.175 31.864 31.700 -0.018 0.000 1.150 819 L N 1.348 122.572 121.223 0.002 0.000 2.315 819 L HA 0.160 4.500 4.340 -0.000 0.000 0.283 819 L C 0.884 177.770 176.870 0.026 0.000 1.089 819 L CA -0.526 54.315 54.840 0.002 0.000 0.833 819 L CB 0.285 42.336 42.059 -0.014 0.000 1.170 819 L HN -0.112 nan 8.230 nan 0.000 0.442 820 Q N 2.711 122.516 119.800 0.007 0.000 2.263 820 Q HA 0.030 4.370 4.340 -0.000 0.000 0.289 820 Q C 1.221 177.261 176.000 0.067 0.000 1.061 820 Q CA 1.053 56.870 55.803 0.023 0.000 0.927 820 Q CB 0.748 29.457 28.738 -0.048 0.000 1.154 820 Q HN 0.950 nan 8.270 nan 0.000 0.378 821 G N 1.867 110.735 108.800 0.114 0.000 2.184 821 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.264 821 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.264 821 G C 0.442 175.382 174.900 0.066 0.000 0.975 821 G CA 0.191 45.356 45.100 0.108 0.000 0.642 821 G HN 0.962 nan 8.290 nan 0.000 0.536 822 A N 0.161 123.011 122.820 0.049 0.000 2.587 822 A HA 0.505 4.825 4.320 -0.000 0.000 0.235 822 A C 0.877 178.444 177.584 -0.027 0.000 1.044 822 A CA 0.887 52.900 52.037 -0.039 0.000 0.754 822 A CB 0.125 19.069 19.000 -0.093 0.000 0.968 822 A HN 0.637 nan 8.150 nan 0.000 0.509 823 R N 0.587 120.996 120.500 -0.151 0.000 2.604 823 R HA 0.561 4.901 4.340 -0.000 0.000 0.287 823 R C -1.575 174.569 176.300 -0.261 0.000 0.970 823 R CA -0.313 55.694 56.100 -0.154 0.000 0.946 823 R CB 1.377 31.566 30.300 -0.186 0.000 1.127 823 R HN 0.748 nan 8.270 nan 0.000 0.473 824 Y N -0.430 119.768 120.300 -0.170 0.000 2.409 824 Y HA 0.078 4.628 4.550 -0.000 0.000 0.343 824 Y C 1.414 177.277 175.900 -0.062 0.000 0.973 824 Y CA -0.596 57.470 58.100 -0.057 0.000 1.064 824 Y CB 2.305 40.795 38.460 0.051 0.000 1.207 824 Y HN 0.736 nan 8.280 nan 0.000 0.452 825 S N -0.204 115.549 115.700 0.088 0.000 2.419 825 S HA -0.097 4.373 4.470 -0.000 0.000 0.235 825 S C 0.104 174.798 174.600 0.156 0.000 1.019 825 S CA 1.512 59.755 58.200 0.070 0.000 0.982 825 S CB 0.016 63.234 63.200 0.029 0.000 0.789 825 S HN 0.760 nan 8.310 nan 0.000 0.490 826 D N -0.919 119.617 120.400 0.227 0.000 2.683 826 D HA 0.568 5.208 4.640 -0.000 0.000 0.246 826 D C -1.716 174.638 176.300 0.090 0.000 1.238 826 D CA -0.458 53.666 54.000 0.206 0.000 0.759 826 D CB 1.479 42.316 40.800 0.062 0.000 1.349 826 D HN 0.067 nan 8.370 nan 0.000 0.426 827 N N 0.429 118.964 118.700 -0.274 0.000 3.348 827 N HA 0.322 5.062 4.740 -0.000 0.000 0.233 827 N C -1.152 174.063 175.510 -0.493 0.000 1.440 827 N CA -0.446 52.262 53.050 -0.571 0.000 0.887 827 N CB 0.667 38.484 38.487 -1.116 0.000 1.410 827 N HN 0.457 nan 8.380 nan 0.000 0.502 828 F N -0.345 119.262 119.950 -0.571 0.000 3.039 828 F HA -0.224 4.303 4.527 -0.000 0.000 0.287 828 F C -0.398 175.271 175.800 -0.219 0.000 0.956 828 F CA 0.661 58.434 58.000 -0.378 0.000 0.971 828 F CB -1.868 36.954 39.000 -0.297 0.000 0.943 828 F HN 0.333 nan 8.300 nan 0.000 0.766 829 F N -1.969 117.950 119.950 -0.052 0.000 2.579 829 F HA 0.745 5.272 4.527 -0.000 0.000 0.324 829 F C 0.100 175.857 175.800 -0.072 0.000 1.058 829 F CA -2.030 55.937 58.000 -0.056 0.000 0.944 829 F CB 0.700 39.654 39.000 -0.076 0.000 1.245 829 F HN -0.171 nan 8.300 nan 0.000 0.477 830 D N 2.215 122.721 120.400 0.176 0.000 2.351 830 D HA 0.199 4.839 4.640 -0.000 0.000 0.251 830 D C -0.734 175.662 176.300 0.161 0.000 1.137 830 D CA 0.056 54.092 54.000 0.059 0.000 0.879 830 D CB 2.088 42.890 40.800 0.002 0.000 1.181 830 D HN 0.458 nan 8.370 nan 0.000 0.448 831 L N 4.098 125.359 121.223 0.062 0.000 2.268 831 L HA 0.219 4.559 4.340 -0.000 0.000 0.289 831 L C -0.424 176.386 176.870 -0.101 0.000 1.064 831 L CA -0.289 54.572 54.840 0.036 0.000 0.824 831 L CB 0.300 42.371 42.059 0.021 0.000 1.202 831 L HN 0.217 nan 8.230 nan 0.000 0.433 832 L N 6.757 127.916 121.223 -0.108 0.000 2.436 832 L HA 0.377 4.717 4.340 -0.000 0.000 0.265 832 L C -1.805 175.032 176.870 -0.055 0.000 1.168 832 L CA -1.987 52.788 54.840 -0.108 0.000 0.815 832 L CB 0.238 42.239 42.059 -0.095 0.000 1.109 832 L HN 0.473 nan 8.230 nan 0.000 0.462 833 P HA 0.012 nan 4.420 nan 0.000 0.266 833 P C 0.736 178.017 177.300 -0.032 0.000 1.215 833 P CA 0.638 63.736 63.100 -0.003 0.000 0.763 833 P CB 0.750 32.527 31.700 0.128 0.000 0.806 834 G N 2.904 111.577 108.800 -0.212 0.000 2.184 834 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.264 834 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.264 834 G C -0.126 174.853 174.900 0.132 0.000 0.975 834 G CA -0.122 44.971 45.100 -0.012 0.000 0.642 834 G HN 0.594 nan 8.290 nan 0.000 0.536 835 E N 0.556 120.753 120.200 -0.005 0.000 2.063 835 E HA 0.402 4.752 4.350 -0.000 0.000 0.265 835 E C 0.550 177.189 176.600 0.066 0.000 0.919 835 E CA -0.779 55.660 56.400 0.065 0.000 0.756 835 E CB 1.125 30.843 29.700 0.030 0.000 1.120 835 E HN 0.392 nan 8.360 nan 0.000 0.414 836 R N 2.582 123.208 120.500 0.211 0.000 2.698 836 R HA 0.028 4.368 4.340 -0.000 0.000 0.266 836 R C -0.395 175.949 176.300 0.074 0.000 1.026 836 R CA 0.408 56.646 56.100 0.231 0.000 1.102 836 R CB 0.464 30.905 30.300 0.236 0.000 0.978 836 R HN 0.191 nan 8.270 nan 0.000 0.436 837 K N 2.872 123.305 120.400 0.055 0.000 2.578 837 K HA 0.185 4.505 4.320 -0.000 0.000 0.250 837 K C -1.529 175.061 176.600 -0.017 0.000 0.955 837 K CA -0.679 55.581 56.287 -0.046 0.000 0.825 837 K CB 1.218 33.628 32.500 -0.150 0.000 1.151 837 K HN 0.424 nan 8.250 nan 0.000 0.432 838 K N 4.000 124.377 120.400 -0.039 0.000 2.201 838 K HA 0.431 4.751 4.320 -0.000 0.000 0.278 838 K C -1.272 175.309 176.600 -0.033 0.000 1.027 838 K CA -0.605 55.675 56.287 -0.013 0.000 0.909 838 K CB 1.171 33.666 32.500 -0.008 0.000 1.062 838 K HN 0.406 nan 8.250 nan 0.000 0.465 839 V N 6.239 126.157 119.914 0.007 0.000 2.588 839 V HA 0.404 4.524 4.120 -0.000 0.000 0.304 839 V C -0.415 175.683 176.094 0.008 0.000 1.042 839 V CA -0.859 61.459 62.300 0.029 0.000 0.877 839 V CB 1.710 33.606 31.823 0.122 0.000 0.996 839 V HN 0.704 nan 8.190 nan 0.000 0.425 840 I N 5.666 126.232 120.570 -0.008 0.000 2.377 840 I HA 0.512 4.682 4.170 -0.000 0.000 0.293 840 I C -0.505 175.530 176.117 -0.135 0.000 0.987 840 I CA -0.265 61.002 61.300 -0.055 0.000 1.185 840 I CB 1.558 39.532 38.000 -0.044 0.000 1.341 840 I HN 0.408 nan 8.210 nan 0.000 0.455 841 I N 5.264 125.708 120.570 -0.210 0.000 2.382 841 I HA 0.328 4.498 4.170 -0.000 0.000 0.286 841 I C 0.068 176.036 176.117 -0.248 0.000 1.002 841 I CA -0.491 60.580 61.300 -0.382 0.000 1.135 841 I CB 1.705 39.390 38.000 -0.526 0.000 1.288 841 I HN 0.559 nan 8.210 nan 0.000 0.448 842 T N 1.719 116.136 114.554 -0.229 0.000 2.859 842 T HA 0.706 5.056 4.350 -0.000 0.000 0.281 842 T C -0.313 174.308 174.700 -0.132 0.000 1.005 842 T CA -0.774 61.240 62.100 -0.143 0.000 1.025 842 T CB 1.917 70.726 68.868 -0.099 0.000 0.977 842 T HN 0.553 nan 8.240 nan 0.000 0.458 843 S N 2.377 118.024 115.700 -0.088 0.000 2.570 843 S HA 0.450 4.920 4.470 -0.000 0.000 0.286 843 S C -2.462 172.117 174.600 -0.037 0.000 1.143 843 S CA -1.084 57.081 58.200 -0.059 0.000 0.921 843 S CB 1.811 64.974 63.200 -0.063 0.000 1.108 843 S HN 0.547 nan 8.310 nan 0.000 0.456 844 P HA 0.014 nan 4.420 nan 0.000 0.231 844 P C 0.897 178.192 177.300 -0.008 0.000 1.158 844 P CA 0.426 63.520 63.100 -0.009 0.000 0.763 844 P CB -0.068 31.633 31.700 0.003 0.000 0.805 845 R N -0.891 119.602 120.500 -0.012 0.000 2.317 845 R HA 0.241 4.581 4.340 -0.000 0.000 0.208 845 R C 1.161 177.450 176.300 -0.018 0.000 0.914 845 R CA -0.038 56.056 56.100 -0.010 0.000 1.060 845 R CB -1.160 29.137 30.300 -0.005 0.000 1.015 845 R HN 0.296 nan 8.270 nan 0.000 0.498 846 I N 1.522 122.075 120.570 -0.028 0.000 2.312 846 I HA 0.472 4.642 4.170 -0.000 0.000 0.291 846 I C 1.073 177.177 176.117 -0.021 0.000 1.031 846 I CA 0.555 61.837 61.300 -0.030 0.000 1.293 846 I CB 1.352 39.325 38.000 -0.045 0.000 1.403 846 I HN 0.260 nan 8.210 nan 0.000 0.484 847 K N 2.681 123.072 120.400 -0.015 0.000 3.040 847 K HA -0.031 4.289 4.320 -0.000 0.000 0.193 847 K C 0.433 177.025 176.600 -0.012 0.000 1.228 847 K CA 0.498 56.776 56.287 -0.014 0.000 0.791 847 K CB -2.207 nan 32.500 nan 0.000 2.206 847 K HN 0.695 nan 8.250 nan 0.000 0.643 848 K N 0.707 121.100 120.400 -0.012 0.000 2.430 848 K HA 0.609 4.929 4.320 -0.000 0.000 0.280 848 K C 2.021 178.617 176.600 -0.007 0.000 1.063 848 K CA 1.264 57.544 56.287 -0.010 0.000 1.071 848 K CB -0.690 31.804 32.500 -0.010 0.000 0.899 848 K HN 2.208 nan 8.250 nan 0.000 0.473 849 G N 0.439 109.235 108.800 -0.007 0.000 2.698 849 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.200 849 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.200 849 G C 0.151 175.047 174.900 -0.006 0.000 2.083 849 G CA -0.021 45.076 45.100 -0.006 0.000 1.629 849 G HN 0.938 nan 8.290 nan 0.000 0.565 850 E N 2.214 122.410 120.200 -0.006 0.000 2.161 850 E HA 0.424 4.774 4.350 -0.000 0.000 0.263 850 E C 0.416 177.011 176.600 -0.007 0.000 1.185 850 E CA 0.416 56.812 56.400 -0.006 0.000 0.938 850 E CB 0.913 30.610 29.700 -0.006 0.000 1.023 850 E HN 0.652 nan 8.360 nan 0.000 0.433 851 E N 2.755 122.952 120.200 -0.005 0.000 2.376 851 E HA 0.026 4.376 4.350 -0.000 0.000 0.266 851 E C -0.135 176.463 176.600 -0.005 0.000 1.009 851 E CA -0.694 55.705 56.400 -0.002 0.000 0.902 851 E CB 0.483 30.186 29.700 0.004 0.000 0.972 851 E HN 0.316 nan 8.360 nan 0.000 0.439 852 L N 7.106 128.324 121.223 -0.009 0.000 2.477 852 L HA 0.214 4.554 4.340 -0.000 0.000 0.272 852 L C -2.275 174.585 176.870 -0.016 0.000 1.157 852 L CA -1.368 53.459 54.840 -0.022 0.000 0.889 852 L CB 0.241 42.275 42.059 -0.042 0.000 1.158 852 L HN 0.570 nan 8.230 nan 0.000 0.473 853 P HA 0.181 nan 4.420 nan 0.000 0.268 853 P C -1.302 175.960 177.300 -0.065 0.000 1.204 853 P CA -0.048 63.034 63.100 -0.030 0.000 0.768 853 P CB 0.816 32.496 31.700 -0.033 0.000 0.842 854 V N 3.181 123.048 119.914 -0.078 0.000 2.668 854 V HA 0.416 4.536 4.120 -0.000 0.000 0.304 854 V C -0.555 175.427 176.094 -0.186 0.000 1.071 854 V CA -0.490 61.707 62.300 -0.171 0.000 0.894 854 V CB 2.020 33.691 31.823 -0.252 0.000 1.008 854 V HN 0.521 nan 8.190 nan 0.000 0.425 855 N N 4.724 123.259 118.700 -0.274 0.000 2.491 855 N HA 0.510 5.250 4.740 -0.000 0.000 0.274 855 N C -1.102 174.166 175.510 -0.404 0.000 1.023 855 N CA -0.421 52.461 53.050 -0.280 0.000 0.902 855 N CB 1.201 39.532 38.487 -0.260 0.000 1.267 855 N HN 0.622 nan 8.380 nan 0.000 0.503 856 I N 3.195 123.567 120.570 -0.331 0.000 2.301 856 I HA 0.241 4.411 4.170 -0.000 0.000 0.292 856 I C 0.270 176.179 176.117 -0.346 0.000 1.046 856 I CA -0.486 60.601 61.300 -0.355 0.000 1.282 856 I CB 0.668 38.524 38.000 -0.240 0.000 1.409 856 I HN 0.279 nan 8.210 nan 0.000 0.484 857 K N 5.887 125.983 120.400 -0.507 0.000 2.156 857 K HA 0.658 4.978 4.320 -0.000 0.000 0.254 857 K C -0.900 175.383 176.600 -0.528 0.000 0.950 857 K CA -0.798 55.097 56.287 -0.653 0.000 0.849 857 K CB 1.776 33.672 32.500 -1.008 0.000 1.100 857 K HN 0.662 nan 8.250 nan 0.000 0.434 858 H N -1.500 117.332 119.070 -0.396 0.000 3.017 858 H HA 0.300 4.856 4.556 -0.000 0.000 0.346 858 H C 0.432 175.804 175.328 0.073 0.000 1.286 858 H CA -0.991 54.990 56.048 -0.111 0.000 1.120 858 H CB 0.439 30.125 29.762 -0.127 0.000 1.860 858 H HN 0.262 nan 8.280 nan 0.000 0.542 859 I N 0.047 120.799 120.570 0.303 0.000 2.208 859 I HA -0.172 3.998 4.170 -0.000 0.000 0.245 859 I C 2.456 178.683 176.117 0.183 0.000 1.097 859 I CA 1.297 62.771 61.300 0.291 0.000 1.363 859 I CB -0.825 37.319 38.000 0.241 0.000 1.051 859 I HN 0.703 nan 8.210 nan 0.000 0.413 860 R N 1.872 122.428 120.500 0.093 0.000 2.139 860 R HA -0.192 4.148 4.340 -0.000 0.000 0.243 860 R C 1.791 177.792 176.300 -0.498 0.000 1.145 860 R CA 1.511 57.488 56.100 -0.204 0.000 0.976 860 R CB -0.574 29.725 30.300 -0.003 0.000 0.866 860 R HN 0.439 nan 8.270 nan 0.000 0.449 861 E N -0.880 119.093 120.200 -0.378 0.000 2.511 861 E HA -0.042 4.308 4.350 -0.000 0.000 0.196 861 E C 0.541 176.998 176.600 -0.238 0.000 1.066 861 E CA 1.119 57.298 56.400 -0.370 0.000 0.871 861 E CB 0.218 29.616 29.700 -0.503 0.000 0.863 861 E HN 0.575 nan 8.360 nan 0.000 0.520 862 T N -2.071 112.392 114.554 -0.153 0.000 3.054 862 T HA 0.059 4.409 4.350 -0.000 0.000 0.255 862 T C 0.040 174.838 174.700 0.163 0.000 1.035 862 T CA -0.452 61.686 62.100 0.063 0.000 0.941 862 T CB -0.173 68.824 68.868 0.215 0.000 1.026 862 T HN 0.176 nan 8.240 nan 0.000 0.533 863 Y N -0.804 119.510 120.300 0.025 0.000 2.571 863 Y HA 0.740 5.290 4.550 -0.000 0.000 0.341 863 Y C -0.873 175.042 175.900 0.025 0.000 1.076 863 Y CA -2.079 56.042 58.100 0.036 0.000 1.029 863 Y CB 1.408 39.897 38.460 0.048 0.000 1.308 863 Y HN -0.026 nan 8.280 nan 0.000 0.461 864 K N 2.647 123.154 120.400 0.178 0.000 2.235 864 K HA 0.305 4.625 4.320 -0.000 0.000 0.266 864 K C -0.870 175.841 176.600 0.186 0.000 0.980 864 K CA -0.454 55.889 56.287 0.094 0.000 0.849 864 K CB 1.003 33.545 32.500 0.071 0.000 1.098 864 K HN 0.799 nan 8.250 nan 0.000 0.445 865 E N 3.133 123.395 120.200 0.104 0.000 2.343 865 E HA 0.122 4.472 4.350 -0.000 0.000 0.269 865 E C -0.240 176.337 176.600 -0.039 0.000 1.047 865 E CA -0.259 56.201 56.400 0.101 0.000 0.874 865 E CB 1.003 30.737 29.700 0.058 0.000 1.033 865 E HN 0.568 nan 8.360 nan 0.000 0.409 866 H N 0.383 119.450 119.070 -0.005 0.000 2.676 866 H HA 0.231 4.787 4.556 -0.000 0.000 0.352 866 H C 0.444 175.743 175.328 -0.048 0.000 1.193 866 H CA -0.746 55.281 56.048 -0.035 0.000 1.243 866 H CB 1.243 31.016 29.762 0.018 0.000 1.751 866 H HN 0.437 nan 8.280 nan 0.000 0.567 867 H N 0.000 119.150 119.070 0.134 0.000 2.539 867 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 867 H CA 0.000 56.096 56.048 0.080 0.000 1.023 867 H CB 0.000 29.799 29.762 0.062 0.000 1.292 867 H HN 0.000 nan 8.280 nan 0.000 0.496